474	542	727	0:SP3_SP2_SP2	C[3x5]	N[5]	C[5,6a]	3:4:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[3x5]-4:N[5]-3:O[5]-2:	C[3x5]-4:C[5]-3:C-3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]3)(N[5]C[5]C)(O[5]C[5])	N[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]C)(CCH)	C[5,6a](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]3)(N[5]C[5]C)(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]C)(CCH){6|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>}	116.2890	0.000	1	116.2890	0.000	1	116.2890	0.000	1	116.2890	0.000	1	116.4335	0.042	2	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[3x5]	N[5]	C[5,6a]	3:4:3:2:	4:3:4:	4:3:3:	C[5,6a]-3:C[3x5]-4:N[5]-3:O[5]-2:	C[3x5]-4:C[5]-3:C-4:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]3)(N[5]C[5]C)(O[5]C[5])	N[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]C)(CCHH)	C[5,6a](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]3)(N[5]C[5]C)(O[5]C[5]){1|C<2>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]C)(CCHH){6|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>}	116.5780	0.000	1	116.5780	0.000	1	116.5780	0.000	1	116.5780	0.000	1	116.4335	0.042	2	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5,6,6]	N[5]	C[5,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:N[5]-3:	C[5,5,6,6]-4:C[5]-3:C-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2N[5])(N[5]C[5]C)	N[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]C[6a]N[5])(CC[6a]O)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2N[5])(N[5]C[5]C){9|C<3>}	N[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5]C[6a]N[5])(CC[6a]O){8|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){10|C<3>,1|N<2>}	114.4355	2.722	2	114.4355	7.407	2	114.4355	7.407	2	114.4355	7.407	2	111.7518	14.364	4	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5,6,6]	N[5]	C[5,6,6a]	4:3:4:3:	4:2:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:N[5]-3:	C[5,5,6,6]-4:N[5]-2:C-3:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(N[5]N[5]C)	N[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(N[5]C[5])(CC[6a]O)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]N[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2H)(N[5]N[5]C){1|H<1>,9|C<3>}	N[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(N[5]C[5])(CC[6a]O){1|C<4>,1|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]N[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,1|H<1>,1|N<2>,9|C<3>}	110.9220	0.000	1	110.9220	0.000	1	110.9220	0.000	1	110.9220	0.000	1	111.7518	14.364	4	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5,6,6]	N[5]	C[5,6,6a]	4:3:4:3:	4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-4:N[5]-3:	C[5,5,6,6]-4:C[5,6a]-3:C-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(N[5]C[5,6a]C)	N[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(CCO)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]N[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(N[5]C[5,6a]C){10|C<3>}	N[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a])(CCO){1|C<4>,1|H<1>,8|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]N[5])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){11|C<3>,1|C<4>}	107.2140	0.000	1	107.2140	0.000	1	107.2140	0.000	1	107.2140	0.000	1	111.7518	14.364	4	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5,6]	N[5,6]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,6]N[5]O[6]H)(C[5]C[5]HH)	N[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5]O)	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)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,6]N[5]O[6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,1|S<4>,2|H<1>,4|C<3>}	N[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5]O){1|N<2>,1|O<2>,2|N<3>,4|C<3>,4|H<1>}	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>}	113.9590	0.000	1	113.9590	0.000	1	113.9590	0.000	1	113.9590	0.000	1	113.9590	0.000	1	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5,6]	N[5]	C[5,6,6a]	3:4:3:3:	4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-4:C[5]-3:N[5]-3:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]C)(N[5]C[5]H)	N[5](C[5,5,6]C[5,6,6a]C[5,6,6]C[5])(C[5]C[5,6]O)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6])	C[5,5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6,6]C[5,6]C[6,6]H)(C[5]N[5]C)(N[5]C[5]H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	N[5](C[5,5,6]C[5,6,6a]C[5,6,6]C[5])(C[5]C[5,6]O)(H){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,6,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6,6a]C[6a]C[6]){2|C<3>,4|H<1>,5|C<4>}	118.5140	0.000	1	118.5140	0.000	1	118.5140	0.000	1	118.5140	0.000	1	118.5140	0.000	1	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5,6]	N[5]	C[5,6a]	4:3:3:4:	4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:N[5]-3:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6]C[6]HH)	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(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]O)	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	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]O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	114.8220	0.000	1	114.8220	0.000	1	114.8220	0.000	1	114.8220	0.000	1	115.3775	0.617	2	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5,6]	N[5]	C[5,6a]	4:3:3:4:	4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:N[5]-3:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:S-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(C[6]N[6]HH)	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	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)	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(C[6]N[6]HH){2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	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>,1|N<3>,1|S<4>,3|C<3>,4|H<1>}	115.9330	0.000	1	115.9330	0.000	1	115.9330	0.000	1	115.9330	0.000	1	115.3775	0.617	2	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5,5]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5,5]O[5])(C[5]N[5,5]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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H){1|N<3>,3|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5,5]O[5])(C[5]N[5,5]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	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>}	114.2660	1.485	2	114.2660	2.205	2	114.2660	2.205	2	114.2660	2.205	2	114.7690	1.862	3	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	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>}	115.7750	0.000	1	115.7750	0.000	1	115.7750	0.000	1	115.7750	0.000	1	114.7690	1.862	3	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5,5]	C[5a]	3:3:3:4:	4:3:4:	4:2:2:	C[5,6a]-3:C[5a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:N[5a]-2:O[5a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH)	N[5,5](C[5,5]C[5,6a]C[5a]C[5])(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5a](C[5,5]C[5,6a]N[5,5]C[5])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,4|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5a]C[5])(C[5]C[5,6a]O)(C[5]C[5]HH){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[5a](C[5,5]C[5,6a]N[5,5]C[5])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){2|C<4>,2|H<1>,5|C<3>}	112.0440	0.000	1	112.0440	0.000	1	112.0440	0.000	1	112.0440	0.000	1	112.0440	0.000	1	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5,6]	C[5,6a]	3:3:4:2:	4:3:3:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:O-2:	C[5,5]-4:C[6,6a]-3:C[5,6]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,6a]C[5]O)(OH)	N[5,6](C[5,5]C[5,6a]C[5,5]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5,6a]C[5]O)(OH){1|C<4>,1|H<1>,6|C<3>}	N[5,6](C[5,5]C[5,6a]C[5,5]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|O<2>,1|S<2>,3|H<1>,6|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>}	111.7580	0.000	1	111.7580	0.000	1	111.7580	0.000	1	111.7580	0.000	1	111.9230	0.054	2	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5,6]	C[5,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:O-2:	C[5,5]-4:C[6,6a]-3:C[5,6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2O)(OH)	N[5,6](C[5,5]C[5,6a]C[5,5]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(C[5,5]C[5]2O)(OH){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[5,5]C[5,6a]C[5,5]O)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|O<2>,1|S<2>,3|H<1>,6|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>}	112.0880	0.000	1	112.0880	0.000	1	112.0880	0.000	1	112.0880	0.000	1	111.9230	0.054	2	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,5a]	3:3:4:1:	4:3:2:	4:3:3:	C[5,5a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]O[5])(C[5,5]C[5]2C)(H)	N[5](C[5,5]C[5,5a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5,5a](C[5,5]C[5,5]N[5]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]O[5])(C[5,5]C[5]2C)(H){4|H<1>,5|C<3>}	N[5](C[5,5]C[5,5a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,5a](C[5,5]C[5,5]N[5]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	113.7200	0.000	1	113.7200	0.000	1	113.7200	0.000	1	113.7200	0.000	1	114.8260	6.194	4	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,5a]	3:4:4:3:	4:3:4:	3:4:3:	C[5,5a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(C[5]C[5]HO)(N[5]C[5]C)	N[5](C[5,5]C[5,5a]C[5]2)(C[5]C[5]O)(CC[6a]HH)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5]2N[5])(N[5a]C[5a,6a]H)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(C[5]C[5]HO)(N[5]C[5]C){1|O<1>,2|C<3>,5|H<1>}	N[5](C[5,5]C[5,5a]C[5]2)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5]2N[5])(N[5a]C[5a,6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	111.8810	0.000	1	111.8810	0.000	1	111.8810	0.000	1	111.8810	0.000	1	114.8260	6.194	4	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,5a]	4:3:3:1:	4:4:3:	4:3:2:	C[5,5,6]-4:C[5,5a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5,5a]-3:O[5a]-2:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]CH)(COO)	C[5,5a](C[5,5]C[5,5,6]N[5]H)(C[5,5a]C[5,6]C[5a])(O[5a]C[5a])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]CH)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5a](C[5,5]C[5,5,6]N[5]H)(C[5,5a]C[5,6]C[5a])(O[5a]C[5a]){1|C<3>,2|H<1>,5|C<4>}	116.3620	0.000	1	116.3620	0.000	1	116.8515	0.479	2	116.8515	0.479	2	114.8260	6.194	4	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,5a]	4:3:3:1:	4:4:3:	4:3:2:	C[5,5,6]-4:C[5,5a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5,5a]-3:O[5a]-2:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]HH)(COO)	C[5,5a](C[5,5]C[5,5,6]N[5]H)(C[5,5a]C[5,6]C[5a])(O[5a]C[5a])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]HH)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5a](C[5,5]C[5,5,6]N[5]H)(C[5,5a]C[5,6]C[5a])(O[5a]C[5a]){1|C<3>,3|H<1>,4|C<4>}	117.3410	0.000	1	117.3410	0.000	1	116.8515	0.479	2	116.8515	0.479	2	114.8260	6.194	4	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:2:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(N[5]C[5]H)	N[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5]O[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(N[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	N[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]O)(H){5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5]O[5])(C[6a]C[6a]O){2|H<1>,6|C<3>}	112.3825	0.129	2	112.3825	0.017	2	112.3825	0.017	2	112.3825	0.017	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:2:	4:2:3:	4:3:3:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:N[5]-2:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]N[5]C)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(CCO)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]N[5]C)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(CCO){5|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>}	114.5080	0.000	1	114.5080	0.000	1	115.6367	2.794	3	115.6367	2.794	3	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:2:	4:2:3:	4:3:3:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:N[5]-2:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]N[5]C)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(CC[6a]O)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]N[5]C)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(CC[6a]O){5|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>}	114.8450	0.000	1	114.8450	0.000	1	115.6367	2.794	3	115.6367	2.794	3	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:2:	4:2:3:	4:3:3:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:N[5]-2:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]N[5]C)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(COO)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]N[5]C)(O[5]C[5]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5])(COO){1|N<3>,1|O<1>,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|N<2>,1|O<1>,2|H<1>,3|C<3>}	117.5570	0.000	1	117.5570	0.000	1	115.6367	2.794	3	115.6367	2.794	3	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:2:	4:3:2:	4:3:3:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(N[5]C[5]O)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]O)(OC)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]C)(N[5]C[5]O)(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]O)(OC){1|O<2>,2|C<4>,3|C<3>}	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>}	115.2620	0.000	1	115.2620	0.000	1	115.2620	0.000	1	115.2620	0.000	1	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[5]-3:S[5]-2:	C[5,5]-4:C[5a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(C[5]N[5]O)(S[5]C[5])	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5a]C[5a]2)(C[5]C[5]O)	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(C[5]N[5]O)(S[5]C[5]){1|O<1>,4|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5a]C[5a]2)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>,2|O<1>,3|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>}	118.7990	0.000	1	118.7990	0.000	1	118.7990	0.000	1	118.7990	0.000	1	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:2:	4:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(N[5]C[5]C)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]C)(CC[6a]HH)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(N[5]C[5]C)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]C)(CC[6a]HH){1|O<1>,4|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>}	115.8350	0.000	1	115.8350	0.000	1	115.8350	0.000	1	116.3632	0.452	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:2:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5]){3|C<4>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|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|N<2>,2|C<3>,2|H<1>,3|C<4>}	117.3270	0.000	1	117.3270	0.000	1	116.5393	0.493	3	116.3632	0.452	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:2:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|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|N<2>,2|C<3>,2|H<1>,3|C<4>}	116.1455	0.234	2	116.1455	0.055	2	116.5393	0.493	3	116.3632	0.452	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:2:	4:4:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]O[6])(COO)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]O[6])(COO){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	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>}	117.8030	0.000	1	117.8030	0.000	1	117.8030	0.000	1	117.8030	0.000	1	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	3:4:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5,6a]O)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H){1|H<1>,1|O<1>,6|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>}	114.8320	0.000	1	114.8320	0.000	1	114.8320	0.000	1	114.8320	0.000	1	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[5]C[5]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[5]C[5]H){1|H<1>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH){1|O<1>,2|H<1>,5|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>}	114.7430	0.000	1	114.7430	0.000	1	114.7430	0.000	1	115.4620	1.034	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]S)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(SC[6a]OO){1|H<1>,1|N<3>,2|O<1>,4|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>}	116.1810	0.000	1	116.1810	0.000	1	116.1810	0.000	1	115.4620	1.034	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:2:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,5]-4:N[5]-2:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C)	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a])(CC[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C){3|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a])(CC[6a]2){6|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>}	114.3440	4.008	2	114.3440	16.063	2	114.3440	16.063	2	114.3440	16.063	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:2:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,5]-4:N[5]-2:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C)	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a])(CC[6a]2H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C){3|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a])(CC[6a]2H){6|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>}	109.8280	1.889	2	109.8280	3.570	2	109.8280	3.570	2	109.8280	3.570	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]S)(H){1|N<3>,1|O<1>,4|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>}	113.2260	0.000	1	113.2260	0.000	1	113.2260	0.000	1	113.2260	0.000	1	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(N[5]C[5]H){1|O<1>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(H){1|H<1>,5|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>}	116.2110	0.000	1	116.2110	0.000	1	115.4197	0.510	3	115.4197	0.510	3	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]C[5]H){1|O<1>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(H){1|I<1>,5|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>}	115.0240	0.284	2	115.0240	0.081	2	115.4197	0.510	3	115.4197	0.510	3	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C)	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a]C)(CC[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C){1|C<4>,3|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a]C)(CC[6a]2){6|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>}	113.8785	4.837	2	113.8785	23.400	2	113.8785	23.400	2	115.9838	18.154	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]O[5]O)	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,5]C[5]2N[5])(C[6a]O[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]O[5]O){2|O<1>,2|O<2>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O){1|O<1>,2|H<1>,2|O<2>,5|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>}	115.5070	0.000	1	115.5070	0.000	1	115.5070	0.000	1	115.9838	18.154	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:Ga[5]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[6a]Ga[5])(C[5]C[5,6a]N)(C[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(Ga[5]Ga[5]C[5])(C[6a]C[6a]2)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[6a]Ga[5])(C[5]C[5,6a]N)(C[5]C[5]H){1|Ga<3>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(Ga[5]Ga[5]C[5])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|C<4>,2|H<1>,6|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>}	120.6710	0.000	1	120.6710	0.000	1	120.6710	0.000	1	115.9838	18.154	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]C[5])(N[5]S[5]H)	N[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]C[5])(N[5]S[5]H){2|H<1>,3|O<1>,6|C<3>}	N[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<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>}	111.4480	0.000	1	111.4480	0.000	1	111.4480	0.000	1	115.2625	29.101	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:N[5]-3:S[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C)(S[5]C[5]O)	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5]C[5]O)(COO)	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C)(S[5]C[5]O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5]C[5]O)(COO){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	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>}	119.0770	0.000	1	119.0770	0.000	1	119.0770	0.000	1	115.2625	29.101	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(C[5]C[5]C)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC3)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(C[5]C[5]C)(N[5]C[5]C){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC3){6|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>}	116.3885	0.712	2	116.3885	0.507	2	116.3885	0.507	2	117.6123	4.747	3	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:3:4:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC){1|N<3>,1|O<1>,2|H<1>,6|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>}	120.0600	0.000	1	120.0600	0.000	1	120.0600	0.000	1	117.6123	4.747	3	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(CC[6a]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(CC[6a]HH){1|N<2>,1|N<3>,1|O<1>,3|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>}	117.1980	0.000	1	117.1980	0.000	1	117.1980	0.000	1	117.1980	0.000	1	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:4:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H){1|N<3>,1|O<1>,6|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>}	115.1500	0.310	2	115.1500	0.096	2	115.1500	0.096	2	114.1633	1.338	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:4:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]C[6a]H)(H){1|C<4>,1|N<3>,1|O<1>,6|C<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>}	113.1765	0.155	2	113.1765	0.024	2	113.1765	0.024	2	114.1633	1.338	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H)	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H){2|H<1>,2|O<1>,7|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H){6|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>}	113.4590	0.000	1	113.4590	0.000	1	112.8840	0.408	3	112.8840	0.408	3	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H)	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H){6|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>}	112.9970	0.000	1	112.5965	0.321	2	112.8840	0.408	3	112.8840	0.408	3	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H)	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H){2|H<1>,2|O<1>,7|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H){6|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>}	112.1960	0.000	1	112.5965	0.321	2	112.8840	0.408	3	112.8840	0.408	3	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:4:3:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(COO){1|H<1>,1|N<3>,1|O<1>,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>}	115.9900	0.000	1	115.9900	0.000	1	115.9900	0.000	1	115.9900	0.000	1	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C[5]-4:	C[5,5]-4:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]ClC)	N[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]C)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]ClC){1|C<2>,4|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cl<1>,4|H<1>,7|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>}	114.3990	0.604	2	114.3990	0.365	2	114.3990	0.365	2	114.3990	0.365	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:4:	4:4:3:	4:3:3:	C[5,6a]-3:C[5,5,6a]-3:N[5]-3:C-4:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(N[5]C[5]C)(CH3)	N[5](C[5,5]C[5,5,6a]C[5,6a]C)(C[5]C[5,6a]HH)(CCO)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(N[5]C[5]C)(CH3){3|H<1>,4|C<3>}	N[5](C[5,5]C[5,5,6a]C[5,6a]C)(C[5]C[5,6a]HH)(CCO){4|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>}	124.7070	0.525	2	124.7070	0.275	2	124.7070	0.275	2	124.7070	0.275	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:1:	4:3:2:	4:3:3:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]O[5])(C[5,5]C[5]2H)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]O[5])(C[5,5]C[5]2H)(H){4|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,4|C<3>,5|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>,2|O<2>,4|H<1>}	111.1220	0.000	1	111.1220	0.000	1	111.1220	0.000	1	111.1220	0.000	1	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:1:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H){1|O<1>,3|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|H<1>,7|C<3>}	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>}	115.6230	0.185	2	115.3388	0.682	4	115.3388	0.682	4	115.3388	0.682	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:1:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H){1|O<2>,4|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,6|C<3>}	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>}	114.1360	0.000	1	115.3388	0.682	4	115.3388	0.682	4	115.3388	0.682	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:1:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H){1|O<2>,4|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	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>}	115.9730	0.000	1	115.3388	0.682	4	115.3388	0.682	4	115.3388	0.682	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[5,5]-4:O-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH)	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH){1|H<1>,1|O<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]C){1|O<2>,2|H<1>,6|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>}	110.3420	0.000	1	110.3420	0.000	1	111.5812	0.840	4	112.6260	6.087	5	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[5,5]-4:O-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH)	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH){1|O<1>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]H){1|O<2>,2|H<1>,6|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>}	111.8630	0.607	2	111.8630	0.368	2	111.5812	0.840	4	112.6260	6.087	5	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[5,5]-4:O-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH)	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]S)	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]S){1|N<3>,1|O<2>,2|H<1>,5|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>}	112.2570	0.000	1	112.2570	0.000	1	111.5812	0.840	4	112.6260	6.087	5	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(O[5]C[5]){1|H<1>,2|O<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]O){4|H<1>,6|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>}	116.8050	0.000	1	116.8050	0.000	1	116.8050	0.000	1	112.6260	6.087	5	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]O)(H){2|H<1>,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|C<4>,1|O<2>,3|C<3>,5|H<1>}	115.5540	0.000	1	114.6140	1.767	2	114.6140	1.767	2	114.6140	1.767	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H){1|H<1>,1|O<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]O)(H){2|H<1>,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<2>,4|C<3>,5|H<1>}	113.6740	0.000	1	114.6140	1.767	2	114.6140	1.767	2	114.6140	1.767	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:3:2:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){1|H<1>,2|C<4>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|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|H<1>,4|C<3>}	116.3110	0.000	1	116.3110	0.000	1	116.3110	0.000	1	116.3110	0.000	1	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5]H){1|H<1>,2|O<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]O){5|H<1>,6|C<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>}	112.7420	0.000	1	112.7420	0.000	1	112.7420	0.000	1	112.7420	0.000	1	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5,6]-4:N[5]-3:	C[5,5]-4:N[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5,5,6]2H)(N[5]C[6a]N[5])	N[5](C[5,5]C[5,5,6]C[5,6a]2)(N[5]C[5,5,6]C)(C[6a]C[6a]2)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5,5,6]2H)(N[5]C[6a]N[5]){1|C<2>,3|C<4>,4|H<1>,6|C<3>}	N[5](C[5,5]C[5,5,6]C[5,6a]2)(N[5]C[5,5,6]C)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|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>}	114.5185	1.496	2	114.5185	2.237	2	114.5185	2.237	2	114.5185	2.237	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:3:4:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]HH)(C[5]N[5]N)	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]HH)(C[5]N[5]N){1|C<4>,3|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH){1|N<2>,1|N<3>,4|H<1>,5|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|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.0230	0.000	1	116.0230	0.000	1	116.0230	0.000	1	116.0230	0.000	1	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(N[5]C[5]S)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(SC[6a]OO)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(N[5]C[5]S){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(SC[6a]OO){1|C<4>,2|H<1>,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>,4|H<1>,5|C<3>}	115.8480	0.000	1	115.8480	0.000	1	115.8480	0.000	1	115.8480	0.000	1	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]CH)(N[5]S[5]H)	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]CH)(N[5]S[5]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H){1|C<4>,1|H<1>,5|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>,4|C<3>,5|H<1>}	112.3300	0.000	1	112.3300	0.000	1	112.3300	0.000	1	112.3300	0.000	1	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]N[5]O){5|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|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<4>,2|H<1>,4|C<3>}	115.0217	2.154	3	115.3750	3.594	4	115.2520	2.771	5	115.2520	2.771	5	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]N[5]O){5|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|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|H<1>,4|C<3>}	116.4350	0.000	1	115.3750	3.594	4	115.2520	2.771	5	115.2520	2.771	5	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]O[5]CC)(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]O[5]CC)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,8|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>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	114.7600	0.000	1	114.7600	0.000	1	115.2520	2.771	5	115.2520	2.771	5	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:4:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HO)	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]HO){1|O<1>,3|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,1|O<2>,4|C<3>,7|H<1>}	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>}	112.3990	0.000	1	112.3990	0.000	1	112.3990	0.000	1	112.3990	0.000	1	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:1:	4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(N[5]C[5]H)(H){1|O<1>,2|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]O)(H){1|C<4>,2|C<3>,3|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>}	113.5040	0.000	1	113.5040	0.000	1	114.4080	1.634	2	114.4080	1.634	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:1:	4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]C)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H){3|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]C)(H){1|C<4>,1|H<1>,2|C<3>}	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>}	115.3120	0.000	1	115.3120	0.000	1	114.4080	1.634	2	114.4080	1.634	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:1:	4:3:2:	3:4:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-2:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5])	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]){1|H<1>,2|C<4>,6|C<3>}	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>}	114.1320	0.226	2	114.1320	0.051	2	114.1320	0.051	2	114.1320	0.051	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){2|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]H){1|H<1>,2|C<4>,6|C<3>}	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>}	113.3293	0.752	4	113.3293	0.566	4	116.0268	4.110	14	116.0268	4.110	14	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]Ir)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|Ir<6>,1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]Ir){1|H<1>,2|C<4>,6|C<3>}	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>}	117.2463	0.847	4	117.2463	0.718	4	116.0268	4.110	14	116.0268	4.110	14	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]Rh)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[6a]C[5])(H){1|Rh<6>,1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]N[5]Rh){1|H<1>,2|C<4>,6|C<3>}	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>}	117.0122	1.319	6	117.0122	1.739	6	116.0268	4.110	14	116.0268	4.110	14	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(CC[5,6]O)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(CC[5,6]O){1|C<4>,1|H<1>,2|C<3>}	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>}	115.1640	0.000	1	115.1640	0.000	1	115.1640	0.000	1	114.2590	1.638	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:S-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(SCN)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(SCN){1|C<4>,1|H<1>,2|C<3>}	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>}	113.3540	0.000	1	113.3540	0.000	1	113.3540	0.000	1	114.2590	1.638	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:1:	4:3:4:	3:4:3:	C[5,6a]-3:C[3x5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]N[5]H)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	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>}	113.7410	0.000	1	113.7410	0.000	1	113.7410	0.000	1	113.7410	0.000	1	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:1:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:P[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]P[5]H)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(P[5]O[5]BC)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]P[5]H)(H){1|B<4>,1|C<4>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(P[5]O[5]BC)(H){1|C<4>,1|H<1>,2|C<3>}	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>}	115.3900	0.000	1	115.3900	0.000	1	115.3900	0.000	1	115.3900	0.000	1	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:1:	4:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(CCO)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(CCO){1|H<1>,1|N<3>,4|C<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>}	115.9430	0.000	1	115.9430	0.000	1	115.9430	0.000	1	113.8133	1.705	6	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:1:	4:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:S[5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(N[5]S[5]C)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(S[5]C[5]OO)(CCO)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(N[5]S[5]C)(H){2|C<3>,2|O<1>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(S[5]C[5]OO)(CCO){1|C<4>,2|C<3>,3|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>}	113.2765	0.973	4	113.2765	0.946	4	113.3874	0.771	5	113.8133	1.705	6	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:1:	4:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:S[5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]S[5]C)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(S[5]N[5]OO)(CCO)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]S[5]C)(H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(S[5]N[5]OO)(CCO){1|H<1>,2|C<3>,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|N<3>,1|S<4>,2|C<3>,5|H<1>}	113.8310	0.000	1	113.8310	0.000	1	113.3874	0.771	5	113.8133	1.705	6	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:2:	4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:O-2:	C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]H)(OH)	N[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]C[6])(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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]H)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,4|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>}	111.3050	0.000	1	111.3050	0.000	1	111.3050	0.000	1	112.2670	1.851	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:2:	4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:O-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O)(N[5]C[5]H)(OH)	N[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]O)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O)(N[5]C[5]H)(OH){2|C<3>,2|H<1>,2|O<1>}	N[5](C[5,5]C[5,6a]C[5,5]O)(C[5]N[5]O)(H){1|H<1>,1|O<2>,3|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>}	113.2290	0.000	1	113.2290	0.000	1	113.2290	0.000	1	112.2670	1.851	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:2:	4:3:2:	4:3:3:	C[5,6a]-3:C[3,5]-4:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]O[3]O[5])(N[5]C[5]O)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[3,5]O[5])(C[5]C[5]O)(OC)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]O[3]O[5])(N[5]C[5]O)(O[5]C[5]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[3,5]O[5])(C[5]C[5]O)(OC){2|C<3>,2|O<2>,3|C<4>}	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>}	116.2470	1.256	2	116.2470	1.577	2	116.2470	1.577	2	115.0427	5.140	3	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:2:	4:3:2:	4:3:3:	C[5,6a]-3:C[5]-4:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(N[5]C[5]O)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]O)(OH)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(N[5]C[5]O)(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]O)(OH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	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>}	112.6340	0.000	1	112.6340	0.000	1	112.6340	0.000	1	115.0427	5.140	3	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:O-2:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]C[6a])(OH)	N[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]C[6a])(OH){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]O)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,6|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>}	111.3775	0.162	2	111.3775	0.026	2	111.3775	0.026	2	111.3775	0.026	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	3:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(N[5]C[5,6a]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(N[5]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H){1|N<3>,1|O<1>,3|H<1>,4|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|C<3>,5|H<1>}	115.1420	0.000	1	115.1420	0.000	1	115.1420	0.000	1	115.1420	0.000	1	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	3:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,5a]-3:C[5,5]-4:S-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(C[5]N[5]O)	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,6a]C[5]2)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]C[6a]H)(N[5]C[5,5a]S)(C[5]N[5]O){1|O<2>,2|H<1>,5|C<3>}	N[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,6a]C[5]2)(SC[6a]OO){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|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>,1|O<2>,1|S<4>,3|H<1>,4|C<3>}	116.6750	0.000	1	116.6750	0.000	1	116.6750	0.000	1	116.6750	0.000	1	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:N[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]H){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,4|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>,4|H<1>}	112.6080	0.000	1	114.0605	4.220	2	115.8445	6.290	4	115.8445	6.290	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:N[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]N[5]H){1|P<4>,2|C<3>,2|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,1|P<4>,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|N<2>,1|O<1>,3|C<3>,5|H<1>}	115.5130	0.000	1	114.0605	4.220	2	115.8445	6.290	4	115.8445	6.290	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:2:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:N[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]N[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]N[5]H){1|P<4>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,1|P<4>,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|N<2>,1|O<1>,3|C<3>,5|H<1>}	117.6285	1.385	2	117.6285	1.919	2	115.8445	6.290	4	115.8445	6.290	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]S)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|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>,4|H<1>}	113.5450	0.000	1	113.5450	0.000	1	114.4944	2.406	14	114.4944	2.406	14	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<2>,1|S<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]S)(H){1|H<1>,1|N<3>,1|O<1>,5|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>,4|H<1>}	113.7590	0.000	1	113.3230	0.380	2	114.4944	2.406	14	114.4944	2.406	14	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5a]H)(C[5]N[5]O)(N[5]C[5]H){1|H<1>,1|O<2>,1|S<1>,2|C<4>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]S)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|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>,4|H<1>}	112.8870	0.000	1	113.3230	0.380	2	114.4944	2.406	14	114.4944	2.406	14	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6]S)(H){1|H<1>,1|N<3>,1|O<1>,5|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>,4|H<1>}	112.8610	0.000	1	112.8610	0.000	1	114.4944	2.406	14	114.4944	2.406	14	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	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>}	115.6217	0.256	4	115.7703	0.123	6	114.4944	2.406	14	114.4944	2.406	14	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H){1|O<1>,2|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	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>}	116.0675	0.390	2	115.7703	0.123	6	114.4944	2.406	14	114.4944	2.406	14	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]S)(H){1|H<1>,1|N<3>,1|O<1>,5|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>,4|H<1>}	111.3380	0.000	1	113.7280	6.126	3	114.4944	2.406	14	114.4944	2.406	14	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|S<1>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]S)(H){1|N<3>,1|O<1>,2|H<1>,4|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>,4|H<1>}	114.9230	1.919	2	113.7280	6.126	3	114.4944	2.406	14	114.4944	2.406	14	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]S)(H){1|H<1>,1|O<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|N<3>,1|O<1>,3|C<3>,4|H<1>}	114.0640	0.000	1	114.0640	0.000	1	114.4944	2.406	14	114.4944	2.406	14	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:N-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(N[5]C[5,6a]H)(NHH)	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(N[5]C[5,6a]H)(NHH){1|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<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>}	113.8280	0.000	1	113.8280	0.000	1	113.8280	0.000	1	113.8280	0.000	1	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:2:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[5]N[5]O){1|H<1>,8|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|O<1>,3|H<1>,6|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>,3|H<1>,5|C<3>}	117.7873	2.457	3	117.7873	6.038	3	117.7873	6.038	3	117.7873	6.038	3	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]C)(COO){1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|H<1>}	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>}	118.3555	0.846	2	118.3555	0.716	2	117.0324	2.266	5	117.6170	3.614	10	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CHO){1|O<1>,2|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|H<1>,4|C<3>}	117.1640	0.000	1	116.0555	2.458	2	117.0324	2.266	5	117.6170	3.614	10	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CHO){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	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>}	114.9470	0.000	1	116.0555	2.458	2	117.0324	2.266	5	117.6170	3.614	10	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]H)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]H)(COO){1|N<3>,1|O<1>,4|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<4>,1|H<1>,1|N<2>,1|O<1>,5|C<3>}	116.3400	0.000	1	116.3400	0.000	1	117.0324	2.266	5	117.6170	3.614	10	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[5,6a]C)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[5,6a]C)(N[5]C[5]C){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(CCO){1|Br<1>,1|C<4>,2|H<1>,5|C<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>}	116.7850	0.000	1	116.7850	0.000	1	118.2016	5.011	5	117.6170	3.614	10	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[6a]C[5])(N[5]C[5,6a]C)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[6a]C[5])(N[5]C[5,6a]C){1|H<1>,1|O<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(CCO){1|Br<1>,2|H<1>,6|C<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>}	118.5558	2.418	4	118.5558	5.845	4	118.2016	5.011	5	117.6170	3.614	10	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]O)(COO)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]O)(COO){1|N<3>,1|O<1>,2|H<1>,4|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|C<4>,2|H<1>,5|C<3>}	118.3130	0.000	1	118.3130	0.000	1	118.3130	0.000	1	113.4905	46.513	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:N-3:	C[5,5]-4:C[5,6]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]C[6a])(NC[6a]H)	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2)	C[5,6a](C[5,5]C[5,5]N[5]N)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]C[5]O)(N[5]C[5,6]C[6a])(NC[6a]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6]C[5,6]C[6])(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,6|C<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>}	108.6680	0.000	1	108.6680	0.000	1	108.6680	0.000	1	113.4905	46.513	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5,6a]O)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,6|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|H<1>,7|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>}	115.9850	0.000	1	115.9850	0.000	1	115.9850	0.000	1	115.6190	0.363	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CCHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CCHH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	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>}	115.5675	0.938	2	115.5675	0.880	2	115.5675	0.880	2	115.6190	0.363	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:S-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]S)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]S){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(SC[6a]OO){1|N<3>,1|O<1>,2|H<1>,5|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>,1|S<4>,3|C<3>,4|H<1>}	115.3560	0.000	1	115.3560	0.000	1	115.3560	0.000	1	115.6190	0.363	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,7|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|H<1>,4|C<4>}	109.3650	0.000	1	109.3650	0.000	1	111.3975	8.262	2	111.3975	8.262	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,6|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>,4|H<1>}	113.4300	0.000	1	113.4300	0.000	1	111.3975	8.262	2	111.3975	8.262	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,7|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>,4|C<4>}	114.4000	0.000	1	114.4000	0.000	1	114.7240	10.674	3	114.0385	8.995	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|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>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	118.1410	0.000	1	118.1410	0.000	1	114.7240	10.674	3	114.0385	8.995	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|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|C<3>,3|H<1>,4|C<4>}	111.6310	0.000	1	111.6310	0.000	1	114.7240	10.674	3	114.0385	8.995	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]C[5]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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,5|C<3>,6|H<1>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|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>,3|C<4>,4|H<1>}	111.9820	0.000	1	111.9820	0.000	1	111.9820	0.000	1	114.0385	8.995	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:2:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:S-4:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]N[5]S)	N[5](C[5,5]C[5,6a]C[5]2)(SC[6a]OO)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]N[5]S){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(SC[6a]OO)(N[5]C[5]){1|N<3>,1|O<1>,2|H<1>,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|N<2>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	115.9720	0.000	1	115.9720	0.000	1	115.9720	0.000	1	115.9720	0.000	1	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CNO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CNO){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	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>}	115.8510	1.253	2	115.8510	1.570	2	116.4717	1.941	3	116.8595	1.895	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]O)(COO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<2>,1|S<2>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]O)(COO){1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|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>,3|C<3>,3|C<4>,3|H<1>}	117.7130	0.000	1	117.7130	0.000	1	116.4717	1.941	3	116.8595	1.895	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:3:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|S<4>,2|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,1|S<4>,3|H<1>,7|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<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	118.0230	0.000	1	118.0230	0.000	1	118.0230	0.000	1	116.8595	1.895	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(COO)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(COO){1|H<1>,1|N<3>,1|O<1>,5|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<4>,4|C<3>}	115.0180	0.000	1	115.3120	0.173	2	114.5313	1.915	3	115.3452	2.248	5	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(COO)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(COO){1|H<1>,1|N<3>,1|O<1>,5|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|C<4>,2|H<1>,5|C<3>}	115.6060	0.000	1	115.3120	0.173	2	114.5313	1.915	3	115.3452	2.248	5	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CO)(CHO)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CO)(CHO){1|N<3>,1|O<1>,2|H<1>,4|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<4>,4|C<3>}	112.9700	0.000	1	112.9700	0.000	1	114.5313	1.915	3	115.3452	2.248	5	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|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>,3|C<3>,3|C<4>,3|H<1>}	116.2550	0.000	1	116.2550	0.000	1	116.5660	0.193	2	115.3452	2.248	5	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,5|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|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|C<4>,3|H<1>,4|C<3>}	116.8770	0.000	1	116.8770	0.000	1	116.5660	0.193	2	115.3452	2.248	5	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:4:	4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(N[5]C[5,6a]H)(CH3)	N[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5]C[5,5]N[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(N[5]C[5,6a]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	114.1367	0.488	3	114.1367	0.238	3	114.1367	0.238	3	114.1367	0.238	3	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:N[5,5]-4:N[5]-3:C-4:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]N[5]H)(N[5]C[6a]C[5])(CH3)	N[5](C[5,5]C[5,6a]N[5,5]C)(C[6a]C[6a]2)(C[5]N[5]S)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]N[5]H)(N[5]C[6a]C[5])(CH3){1|C<4>,1|H<1>,1|S<1>,2|O<2>,4|C<3>}	N[5](C[5,5]C[5,6a]N[5,5]C)(C[6a]C[6a]2)(C[5]N[5]S){1|B<4>,1|C<4>,3|H<1>,4|C<3>}	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>}	112.7405	2.266	2	112.7405	5.136	2	112.7405	5.136	2	112.7405	5.136	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:4:	4:3:4:	3:4:3:	C[5,6a]-3:C[3x5]-4:N[5]-3:C-4:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2O)(N[5]C[5]C)(CH3)	N[5](C[5,5]C[5,6a]C[3x5]C)(C[5]N[5,5]O)(CH3)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]N[5]C)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2O)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,6a]C[3x5]C)(C[5]N[5,5]O)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<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>}	110.7190	0.000	1	110.7190	0.000	1	110.7190	0.000	1	110.7190	0.000	1	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:4:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H){1|O<1>,2|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H){1|C<4>,2|C<3>,6|H<1>}	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>}	114.9130	0.000	1	114.9130	0.000	1	113.3824	8.440	8	113.3824	8.440	8	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:4:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O){1|Br<1>,1|C<4>,2|C<3>,8|H<1>}	110.4450	0.000	1	110.2817	1.058	3	113.3824	8.440	8	113.3824	8.440	8	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:4:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]O){1|C<4>,2|C<3>,9|H<1>}	110.2000	1.441	2	110.2817	1.058	3	113.3824	8.440	8	113.3824	8.440	8	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:4:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]P)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H){1|O<1>,1|P<4>,2|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]P){1|C<4>,2|C<3>,9|H<1>}	116.2023	0.850	3	116.2023	0.722	3	113.3824	8.440	8	113.3824	8.440	8	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:4:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(C[5]O[5]HH)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HO)(C[5]O[5]HH)(N[5]C[5]H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]O)(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	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>}	112.6940	0.000	1	112.6940	0.000	1	113.3824	8.440	8	113.3824	8.440	8	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:4:3:	4:3:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]C){1|O<1>,2|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC[6a]CH){1|C<4>,2|C<3>,6|H<1>}	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>}	114.0600	0.000	1	114.0600	0.000	1	116.2283	4.099	3	116.2283	4.099	3	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:4:3:	4:3:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CC3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CC3){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	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>}	118.0690	0.000	1	117.3125	1.145	2	116.2283	4.099	3	116.2283	4.099	3	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:4:3:	4:3:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CC3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CC3){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	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>}	116.5560	0.000	1	117.3125	1.145	2	116.2283	4.099	3	116.2283	4.099	3	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:4:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:S-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(N[5]C[5]S)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(N[5]C[5]S){3|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(SC[6a]OO){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	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>}	115.9857	2.368	3	115.9857	5.609	3	115.9857	5.609	3	115.9857	5.609	3	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H){3|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	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>}	113.7490	0.000	1	113.7490	0.000	1	113.7490	0.000	1	113.7490	0.000	1	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	4:3:3:2:	4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:N[5]-3:O-2:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6]C[5,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(OH)	N[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]C[5,6]O)(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)	C[5,5](C[5,5,6]C[5,6]N[5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(OH){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5,5,6]C[5,6a]O)(C[5]C[5,6]O)(H){1|H<1>,2|N<3>,3|C<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>}	111.4485	0.059	2	111.4485	0.003	2	111.4485	0.003	2	111.4485	0.003	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	4:3:3:3:	4:3:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]S)(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)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|H<1>,1|N<3>,1|S<1>,2|C<4>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]S)(H){1|C<4>,1|H<1>,1|O<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|O<1>,2|C<4>,3|C<3>,4|H<1>}	114.2530	0.372	2	114.2530	0.138	2	114.2530	0.138	2	114.2530	0.138	2	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	4:3:3:3:	4:3:3:	4:3:3:	C[3x5]-4:C[5,6a]-3:N[5]-3:N-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3x5]C[3x5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NHH)	N[5](C[5,5]C[5,6a]C[3x5]N)(C[5]C[3x5]O)(C[6a]C[6a]2)	C[5,6a](C[5,5]C[3x5]N[5]N)(C[5,6a]N[6a]S[5])(C[6a]C[6a]C)	C[5,5](C[3x5]C[3x5]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NHH){1|N<2>,1|N<3>,1|S<2>,2|C<4>,2|O<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[3x5]N)(C[5]C[3x5]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,2|S<2>,5|C<3>}	C[5,6a](C[5,5]C[3x5]N[5]N)(C[5,6a]N[6a]S[5])(C[6a]C[6a]C){1|C<4>,1|H<1>,4|C<3>}	112.0145	0.672	2	112.0145	0.452	2	112.0145	0.452	2	113.5547	7.342	3	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:N[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]S)	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)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,1|S<1>,3|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]S){1|N<3>,1|O<1>,3|H<1>,6|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|N<3>,1|O<1>,3|H<1>,5|C<3>}	116.6350	0.000	1	116.6350	0.000	1	116.6350	0.000	1	113.5547	7.342	3	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	4:3:3:3:	4:4:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(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)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(H){1|N<3>,1|O<1>,5|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|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	114.4895	0.780	2	114.4895	0.608	2	114.4895	0.608	2	113.6433	2.452	3	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	4:3:3:3:	4:4:1:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]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)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,5|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>,3|C<4>,4|H<1>}	111.9510	0.000	1	111.9510	0.000	1	111.9510	0.000	1	113.6433	2.452	3	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	4:3:3:3:	4:4:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(COO)	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)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(COO){1|H<1>,1|N<3>,1|O<1>,4|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|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	119.8805	0.547	2	119.8805	0.299	2	119.8805	0.299	2	118.6990	3.029	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	4:3:3:3:	4:4:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:N[5]-3:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	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)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,3|H<1>,7|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|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	118.7830	0.000	1	118.7830	0.000	1	118.7830	0.000	1	118.6990	3.029	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	4:3:3:3:	4:4:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:N[5]-3:C[5]-3:	C[5,5]-4:C[5,6]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6a]O[6])(CHO)	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)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6a]O[6])(CHO){1|N<3>,1|O<1>,3|H<1>,6|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>,3|C<3>,3|C<4>,3|H<1>}	116.2520	0.000	1	116.2520	0.000	1	116.2520	0.000	1	118.6990	3.029	4	115.0032	6.841	196	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]N[5]C)	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]N[5]C){1|C<4>,1|O<2>,3|C<3>,3|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>}	116.8940	0.000	1	116.8940	0.000	1	117.1890	0.174	2	117.1890	0.174	2	117.1890	0.174	2	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]N[5]Se)	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H){1|Se<1>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]N[5]Se){1|C<4>,1|O<2>,3|C<3>,3|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>}	117.4840	0.000	1	117.4840	0.000	1	117.1890	0.174	2	117.1890	0.174	2	117.1890	0.174	2	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a]	3:3:2:2:	4:4:3:	3:4:3:	C[5a]-3:N[5,6]-3:S[5]-2:S[6]-2:	C[5,6]-4:C[5]-4:C[6]-3:	C[5a,6a]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])(S[5]C[5])(S[6]C[6])	N[5,6](C[5,6]C[5a]S[5]S[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]N[5,6]S[5]S[6])(C[5a]N[5a]H)	C[5,6](C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])(S[5]C[5])(S[6]C[6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	N[5,6](C[5,6]C[5a]S[5]S[6])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,6]N[5,6]S[5]S[6])(C[5a]N[5a]H){1|H<1>,3|C<3>,4|C<4>}	112.7285	3.639	2	112.7285	13.246	2	112.7285	13.246	2	112.7285	13.246	2	111.1417	14.177	3	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a]	3:3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5a]-3:N[5,6]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5a,6a]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[5,6a]C[6,6a]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5a](C[5,6]C[5,6a]C[6,6a]N[5,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6]){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	N[5,6](C[5,6]C[5,6a]C[6,6a]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,6|C<3>}	C[5a](C[5,6]C[5,6a]C[6,6a]N[5,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,2|H<1>,7|C<3>}	107.9680	0.000	1	107.9680	0.000	1	107.9680	0.000	1	107.9680	0.000	1	111.1417	14.177	3	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,6]	N[5]	C[5a,6]	3:3:3:1:	4:4:2:	3:4:3:	C[5a,6]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:S-4:N[5]-2:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(N[5]N[5]S)(H)	N[5](C[5,6]C[5a,6]N[5,6]H)(SC[6a]OO)(N[5]C[5])	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]N[5]H)(C[5a]C[5a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(N[5]N[5]S)(H){1|H<1>,5|C<3>}	N[5](C[5,6]C[5a,6]N[5,6]H)(SC[6a]OO)(N[5]C[5]){1|N<3>,3|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]N[5]H)(C[5a]C[5a]H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	112.3550	0.000	1	112.3550	0.000	1	112.3550	0.000	1	112.3550	0.000	1	114.2512	1.955	4	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,6]	N[5]	C[5a,6]	3:3:3:2:	4:3:2:	4:3:3:	C[5a,6]-3:N[5]-3:N[6]-3:S[5]-2:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5]C[6a]N[5])(N[6]C[6]C)(S[5]C[5])	N[5](C[5,6]C[5a,6]N[6]S[5])(C[6a]C[6a]2)(N[5]C[5])	C[5a,6](C[5,6]N[5]N[6]S[5])(C[5a,6]N[5a]N[6])(C[5a]N[5a]H)	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5]C[6a]N[5])(N[6]C[6]C)(S[5]C[5]){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	N[5](C[5,6]C[5a,6]N[6]S[5])(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,2|H<1>,6|C<3>}	C[5a,6](C[5,6]N[5]N[6]S[5])(C[5a,6]N[5a]N[6])(C[5a]N[5a]H){1|N<2>,2|C<4>,3|C<3>}	114.5030	0.000	1	114.5030	0.000	1	114.5030	0.000	1	114.5030	0.000	1	114.2512	1.955	4	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,6]	N[5]	C[5a,6]	3:4:3:1:	4:3:3:	4:3:3:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO)	C[5a,6](C[5,6]C[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(COO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5,6]C[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a]){2|C<4>,3|H<1>,6|C<3>}	115.7270	0.000	1	115.7270	0.000	1	115.7270	0.000	1	115.7270	0.000	1	114.2512	1.955	4	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5,6]	N[5]	C[5a,6]	3:4:3:1:	4:3:4:	3:4:3:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6]N[5]H)(C[5a]N[5a]H)	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6]N[5]H)(C[5a]N[5a]H){1|H<1>,3|C<4>,4|C<3>}	114.4200	0.000	1	114.4200	0.000	1	114.4200	0.000	1	114.4200	0.000	1	114.2512	1.955	4	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5,6]	C[5a]	3:3:4:1:	3:4:2:	4:3:2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.2130	0.000	1	111.2130	0.000	1	111.2130	0.000	1	110.9850	0.386	6	110.4119	1.638	8	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5,6]	C[5a]	3:3:4:1:	3:4:2:	4:3:2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	110.7730	0.000	1	111.0152	0.585	4	110.9394	0.467	5	110.9850	0.386	6	110.4119	1.638	8	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5,6]	C[5a]	3:3:4:1:	3:4:2:	4:3:2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.0960	0.915	3	111.0152	0.585	4	110.9394	0.467	5	110.9850	0.386	6	110.4119	1.638	8	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5,6]	C[5a]	3:3:4:1:	3:4:2:	4:3:2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	110.6360	0.000	1	110.6360	0.000	1	110.9394	0.467	5	110.9850	0.386	6	110.4119	1.638	8	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5,6]	C[5a]	3:3:4:1:	3:4:2:	4:3:3:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	109.6020	0.000	1	109.6020	0.000	1	109.6020	0.000	1	109.6020	0.000	1	110.4119	1.638	8	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5,6]	C[5a]	3:3:4:4:	4:3:4:	4:3:2:	N[5,6]-3:C[5a]-3:C[5]-4:C-4:	C[5]-4:C[5,6]-3:C[6]-4:	C[5]-4:N[5a]-3:N[5a]-2:	C[5](N[5,6]C[5,6]C[6])(C[5a]N[5a]2)(C[5]C[5]HH)(CH3)	N[5,6](C[5]C[5a]C[5]C)(C[5,6]C[5]N[6])(C[6]C[6,6a]HH)	C[5a](C[5]N[5,6]C[5]C)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5](N[5,6]C[5,6]C[6])(C[5a]N[5a]2)(C[5]C[5]HH)(CH3){1|N<3>,3|C<3>,5|H<1>}	N[5,6](C[5]C[5a]C[5]C)(C[5,6]C[5]N[6])(C[6]C[6,6a]HH){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[5a](C[5]N[5,6]C[5]C)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){2|C<4>,2|H<1>,3|C<3>}	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	110.4119	1.638	8	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:1:	4:4:3:	3:4:3:	C[5,6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O[5]C[5])(H)	N[5](C[5]C[5,6a]O[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]O[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O[5]C[5])(H){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]O[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	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>}	112.7915	1.866	2	112.7915	3.482	2	112.7915	3.482	2	112.7915	3.482	2	110.9321	5.189	29	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]2H)(C[5]N[5]Rh)(C[5]C[5]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)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(H){1|Rh<6>,1|N<3>,3|H<1>,5|C<3>}	N[5](C[5]C[5,6a]2H)(C[5]N[5]Rh)(C[5]C[5]H){1|H<1>,5|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>}	112.9460	1.966	2	112.9460	3.864	2	112.9460	3.864	2	112.9460	3.864	2	110.9321	5.189	29	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:4:3:	3:4:3:	C[5,6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,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>}	114.3790	0.000	1	112.9045	4.348	2	112.9045	4.348	2	112.9045	4.348	2	110.9321	5.189	29	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:4:3:	3:4:3:	C[5,6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,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>,1|C<4>,3|C<3>,3|H<1>}	111.4300	0.000	1	112.9045	4.348	2	112.9045	4.348	2	112.9045	4.348	2	110.9321	5.189	29	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5,6a]C[5])(CHHS)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]2C)(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5,6a]C[5])(CHHS){1|Pd<4>,1|N<3>,2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]2C)(C[5]N[5]Pd){1|C<4>,1|H<1>,6|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>}	111.1155	1.869	2	111.1155	3.493	2	111.4200	1.628	4	111.4200	1.628	4	110.9321	5.189	29	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5,6a]C[5])(CPdHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]2C)(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5,6a]C[5])(CPdHH){1|N<3>,2|H<1>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]2C)(C[5]N[5]Pd){1|C<4>,1|H<1>,6|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>}	111.7245	1.010	2	111.7245	1.021	2	111.4200	1.628	4	111.4200	1.628	4	110.9321	5.189	29	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:4:	3:4:4:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C[5])(C[5]N[5]O)(CHHO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C[5])(C[5]N[5]O)(CHHO){2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]C[5]HH){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	114.1750	0.000	1	114.1750	0.000	1	114.1750	0.000	1	114.1750	0.000	1	110.9321	5.189	29	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(CCHH)	N[5](C[5]C[5,6a]2C)(C[5]N[5]Pd)(C[5]C[5]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)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(CCHH){1|Pd<4>,1|N<3>,3|H<1>,5|C<3>}	N[5](C[5]C[5,6a]2C)(C[5]N[5]Pd)(C[5]C[5]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]N[5]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	108.5180	1.069	4	108.9303	0.790	10	108.9303	0.790	10	109.3757	2.893	11	110.9321	5.189	29	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(CCHH)	N[5](C[5]C[5,6a]2C)(C[5]N[5]Pd)(C[5]C[5]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)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(CCHH){1|Pd<4>,1|N<3>,3|H<1>,5|C<3>}	N[5](C[5]C[5,6a]2C)(C[5]N[5]Pd)(C[5]C[5]H){1|H<1>,5|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>}	109.2052	0.713	6	108.9303	0.790	10	108.9303	0.790	10	109.3757	2.893	11	110.9321	5.189	29	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]2)(CC[6a]CH)	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5]H)2	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]2)(CC[6a]CH){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5]H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	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>}	113.8300	0.000	1	113.8300	0.000	1	113.8300	0.000	1	109.3757	2.893	11	110.9321	5.189	29	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:4:	4:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(CCHH)	N[5](C[5]C[5,6a]2C)(C[5]C[5]HH)(C[5]N[5]Pd)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(CCHH){1|Pd<4>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[5](C[5]C[5,6a]2C)(C[5]C[5]HH)(C[5]N[5]Pd){1|C<4>,2|H<1>,4|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>}	109.1460	1.227	4	109.1460	1.505	4	109.1460	1.505	4	109.1460	1.505	4	110.9321	5.189	29	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]H)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]2)(H){1|N<3>,3|C<3>,5|H<1>}	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,3|C<3>,3|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>}	112.2630	0.000	1	112.2630	0.000	1	112.2630	0.000	1	112.2630	0.000	1	110.9321	5.189	29	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:4:3:1:	4:4:3:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]N[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[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	113.9560	1.233	2	113.9560	1.521	2	113.9560	1.521	2	113.9560	1.521	2	110.9321	5.189	29	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:2:4:	3:4:4:	4:2:2:	C[5a]-3:N[5]-3:S[5]-2:C-4:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5a]-2:S[5a]-2:	C[5](C[5a]N[5a]S[5a])(N[5]C[5,6a]C)(S[5]C[5,6a])(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5]C)(CCHH)	C[5a](C[5]N[5]S[5]C)(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5](C[5a]N[5a]S[5a])(N[5]C[5,6a]C)(S[5]C[5,6a])(CCHH){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5]C)(CCHH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[5]N[5]S[5]C)(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|C<4>,4|C<3>}	110.2010	0.000	1	110.2010	0.000	1	110.2010	0.000	1	110.2010	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:2:4:	4:3:1:	4:2:2:	C[5a]-3:N[5]-3:S[5]-2:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:N[5a]-2:S[5a]-2:	C[5](C[5a]N[5a]S[5a])(N[5]C[5]H)(S[5]C[5])(CCCH)	N[5](C[5]C[5a]S[5]C)(C[5]C[5]O)(H)	C[5a](C[5]N[5]S[5]C)(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5](C[5a]N[5a]S[5a])(N[5]C[5]H)(S[5]C[5])(CCCH){1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5a]S[5]C)(C[5]C[5]O)(H){1|N<2>,1|S<2>,2|C<4>}	C[5a](C[5]N[5]S[5]C)(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|C<4>,1|H<1>,3|C<3>}	108.2380	0.000	1	108.2380	0.000	1	108.2380	0.000	1	108.2380	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:2:4:	4:3:4:	4:3:2:	C[5a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(O[5]C[5])(CCl3)	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5a](C[5]N[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(O[5]C[5])(CCl3){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH){1|S<2>,3|C<3>,4|H<1>}	C[5a](C[5]N[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	111.8530	0.000	1	111.8530	0.000	1	111.8530	0.000	1	111.8530	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:2:4:	4:4:3:	3:4:3:	C[5a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:C[5]-4:C-3:	N[5a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(CH3)	N[5](C[5]C[5a]O[5]C)(C[5]C[6a]C[5]H)(CC[6a]O)	C[5a](N[5a]C[5a]C[6a])(C[5]N[5]O[5]C)(C[5a]C[5a]H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(CH3){4|C<3>,4|H<1>}	N[5](C[5]C[5a]O[5]C)(C[5]C[6a]C[5]H)(CC[6a]O){1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(C[5]N[5]O[5]C)(C[5a]C[5a]H){2|C<4>,2|H<1>,3|C<3>}	108.9700	0.000	1	108.9700	0.000	1	108.9700	0.000	1	108.9700	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:1:	4:3:1:	3:4:3:	C[5,6a]-3:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[5]H)(H)	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[5a]N[5a]H){3|H<1>,5|C<3>}	113.6460	0.000	1	113.6460	0.000	1	113.6460	0.000	1	113.6460	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(H)	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[5a]N[5a]H){2|H<1>,6|C<3>}	111.5640	0.000	1	111.5640	0.000	1	111.5640	0.000	1	111.5640	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:1:	4:3:3:	4:3:2:	C[5,6a]-3:N[5]-3:C[5a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5]-4:N[5a]-3:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5a]N[5a]2)(H)	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5a](C[5]C[5,6a]N[5]H)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5a]N[5a]2)(H){1|O<1>,2|H<1>,6|C<3>}	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5]C[5,6a]N[5]H)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){6|C<3>}	111.8090	0.000	1	111.8090	0.000	1	111.8090	0.000	1	111.8090	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:1:	4:3:4:	4:3:2:	C[5,6a]-3:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(H)	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CCHH)	C[5a](C[5]C[5,6a]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CCHH){1|S<2>,3|C<3>}	C[5a](C[5]C[5,6a]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	112.6360	0.000	1	112.6360	0.000	1	112.6360	0.000	1	112.6360	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:2:	4:3:4:	4:3:2:	C[5,6a]-3:C[5a]-3:N[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(N[5]C[5]C)(OH)	N[5](C[5]C[5,6a]C[5a]O)(C[5]C[5,6a]O)(CCHH)	C[5a](C[5]C[5,6a]N[5]O)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(N[5]C[5]C)(OH){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5a]O)(C[5]C[5,6a]O)(CCHH){1|O<2>,3|C<3>}	C[5a](C[5]C[5,6a]N[5]O)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	109.0630	0.000	1	109.0630	0.000	1	109.0630	0.000	1	109.0630	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:3:	3:4:1:	3:4:3:	C[5a]-3:C[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(COO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(COO){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	114.3890	0.000	1	113.9850	0.326	2	113.9850	0.326	2	111.8157	3.943	9	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:3:	3:4:1:	3:4:3:	C[5a]-3:C[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(COO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(COO){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H){1|O<1>,3|H<1>,4|C<3>}	113.5810	0.000	1	113.9850	0.326	2	113.9850	0.326	2	111.8157	3.943	9	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:3:	3:4:1:	3:4:3:	C[5a]-3:C[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]C[6a]N[5a])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(H){1|H<1>,1|O<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]C[6a]N[5a]){1|O<1>,3|H<1>,8|C<3>}	113.0430	1.693	2	113.0430	2.866	2	113.0430	2.866	2	111.8157	3.943	9	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:3:	3:4:1:	3:4:3:	C[5a]-3:C[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-4:N[5a]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(H)	C[5a](C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(N[5a]C[5a,6a]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(N[5a]C[5a,6a]H){1|H<1>,1|O<1>,8|C<3>}	109.1360	0.000	1	109.1360	0.000	1	109.1360	0.000	1	111.8157	3.943	9	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:3:	3:4:1:	3:4:3:	C[5a]-3:C[5a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])2(C[5]C[5,6a]O)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])2(C[5]C[5,6a]O)(N[5]C[5,6a]H){2|H<1>,2|N<3>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(H){1|H<1>,1|O<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]H){1|O<1>,3|H<1>,6|C<3>}	110.7873	1.227	4	110.7873	1.506	4	110.7873	1.506	4	111.8157	3.943	9	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:3:	3:4:3:	3:4:3:	C[5a]-3:C[5a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-4:C-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])2(C[5]C[5,6a]O)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(CHO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]C)	C[5](C[5a]C[5a,6a]C[5a])2(C[5]C[5,6a]O)(N[5]C[5,6a]C){2|C<4>,2|N<3>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2C[5])(CHO){1|H<1>,1|O<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]C){1|O<1>,2|H<1>,7|C<3>}	110.5850	0.146	2	110.5850	0.021	2	110.5850	0.021	2	110.5850	0.021	2	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:3:	3:4:4:	3:4:3:	C[5a]-3:C[5]-3:N[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]C[6a]N[5a])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(CCHH){1|H<1>,1|O<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]C[6a]N[5a]){1|H<1>,1|O<1>,2|C<4>,8|C<3>}	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:3:	4:3:3:	4:3:2:	C[5a]-3:N[5]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C)	N[5](C[5]C[5a]C[6a]N[5])(N[5]C[5]C)(COO)	C[5a](C[5]C[6a]N[5]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C){4|H<1>,8|C<3>}	N[5](C[5]C[5a]C[6a]N[5])(N[5]C[5]C)(COO){1|H<1>,1|O<2>,5|C<3>}	C[5a](C[5]C[6a]N[5]2)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,2|C<4>,5|C<3>}	109.8630	0.000	1	109.8630	0.000	1	109.8630	0.000	1	109.8630	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:3:	4:3:4:	4:3:2:	C[5,6a]-3:C[5a]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(CCN)	N[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(CC[6a]HH)	C[5a](C[5]C[5,6a]N[5]C)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(CCN){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(CC[6a]HH){1|S<2>,3|C<3>}	C[5a](C[5]C[5,6a]N[5]C)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	109.5620	0.000	1	109.5620	0.000	1	109.5620	0.000	1	109.5620	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:3:	4:4:3:	4:3:2:	C[5a]-3:N[5]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C)	N[5](C[5]C[5a]C[6a]N[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	C[5a](C[5]C[6a]N[5]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C){4|H<1>,8|C<3>}	N[5](C[5]C[5a]C[6a]N[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	C[5a](C[5]C[6a]N[5]2)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,2|C<4>,5|C<3>}	110.0730	0.000	1	110.0730	0.000	1	110.0730	0.000	1	110.0730	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:4:	3:4:1:	3:3:4:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-4:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]C){1|H<1>,1|O<1>,4|C<3>}	112.2900	0.000	1	112.2900	0.000	1	112.2900	0.000	1	112.2900	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:4:	3:4:1:	3:4:3:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H){1|O<1>,3|H<1>,4|C<3>}	111.8580	0.000	1	111.8580	0.000	1	111.6215	0.112	2	111.6215	0.112	2	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:4:	3:4:1:	3:4:3:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]C)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3){1|C<4>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]C){1|O<1>,3|H<1>,4|C<3>}	111.3850	0.000	1	111.3850	0.000	1	111.6215	0.112	2	111.6215	0.112	2	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:4:	3:4:4:	3:2:4:	N[5]-3:N[5]-3:C[5a]-3:C-4:	C[5,6a]-3:C[5]-4:C-4:	N[5a]-3:N[5a]-2:C[5]-4:	C[5](N[5]C[5,6a]C)2(C[5a]N[5a]2)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(CCHH)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5]N[5]2C)	C[5](N[5]C[5,6a]C)2(C[5a]N[5a]2)(CCHH){1|C<4>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[5]N[5]2C){2|C<4>,4|C<3>}	112.5695	1.234	2	112.5695	1.523	2	112.5695	1.523	2	112.5695	1.523	2	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:4:	4:3:1:	4:3:2:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]N[5]O)(N[5]C[5]H)(CH3)	N[5](C[5]C[5a]C[5]C)(C[5]N[5]S)(H)	C[5a](C[5]C[5]N[5]C)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[5]N[5]O)(N[5]C[5]H)(CH3){1|H<1>,1|S<1>,3|C<3>}	N[5](C[5]C[5a]C[5]C)(C[5]N[5]S)(H){1|O<1>,1|O<2>,2|C<3>}	C[5a](C[5]C[5]N[5]C)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	112.3350	0.000	1	112.3350	0.000	1	112.3350	0.000	1	112.3350	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:4:1:	3:4:2:	3:4:3:	N[5]-3:C[5a]-3:C[5]-4:H-1:	C[5a]-3:C[5]-4:N[5]-2:	C[5a]-3:C[5]-4:C[5a]-3:	C[5](N[5]C[5a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H)	N[5](C[5a]N[5a]S[5a])(C[5]C[5a]C[5]H)(N[5]C[5])	C[5a](C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	C[5](N[5]C[5a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>,2|N<2>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5a]C[5]H)(N[5]C[5]){2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){2|H<1>,2|N<2>,4|C<3>}	111.5167	0.146	3	111.5167	0.021	3	111.5167	0.021	3	111.5167	0.021	3	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:4:1:	4:3:2:	3:4:3:	N[5]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5a]-3:C[5]-4:C[5a]-3:	C[5](N[5]C[6a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	C[5](N[5]C[6a]N[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|N<2>,2|H<1>,5|C<3>}	110.8705	0.643	2	110.8705	0.413	2	110.8705	0.413	2	110.8705	0.413	2	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:4:1:	4:3:2:	4:3:2:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,4|H<1>}	112.5080	0.583	2	112.2477	0.373	3	112.2477	0.373	3	112.2477	0.373	3	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:4:1:	4:3:2:	4:3:2:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|H<1>,5|C<3>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|O<2>,4|C<3>,4|H<1>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,4|H<1>}	111.7270	0.000	1	112.2477	0.373	3	112.2477	0.373	3	112.2477	0.373	3	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:4:1:	4:3:3:	4:3:2:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]C[5]HN)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<3>,1|S<2>,3|C<3>,4|H<1>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	111.2670	0.000	1	111.2670	0.000	1	111.2670	0.000	1	111.2670	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:3:4:4:	4:3:3:	3:3:4:	C[5a]-3:N[5]-3:C[5]-4:C-4:	C[5]-4:C[6a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)	N[5](C[5]C[5a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]N[5]C)	C[5](C[5a]C[5a]N[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(CH3){1|O<1>,3|H<1>,5|C<3>}	N[5](C[5]C[5a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]O){1|N<3>,4|C<3>,5|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(C[5]C[5]N[5]C){1|C<4>,2|H<1>,4|C<3>}	110.4830	0.000	1	110.4830	0.000	1	110.4830	0.000	1	110.4830	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:4:3:1:	3:4:3:	3:4:3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CCO){3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){4|H<1>,5|C<3>}	112.2220	0.000	1	112.2220	0.000	1	112.2220	0.000	1	112.2220	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:4:3:1:	3:4:4:	3:4:3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3){3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){2|C<4>,3|H<1>,4|C<3>}	115.4920	0.000	1	115.4920	0.000	1	115.4920	0.000	1	115.4920	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:4:3:1:	4:2:3:	3:4:3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,1|N<3>,3|C<3>}	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	110.8030	0.000	1	110.8030	0.000	1	110.8030	0.000	1	110.8030	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:4:3:1:	4:2:3:	4:3:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,4|H<1>}	111.0743	1.270	3	111.0743	1.614	3	111.2807	1.247	4	111.2212	0.953	5	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:4:3:1:	4:2:3:	4:3:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CNS)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CNS){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,4|H<1>}	111.9000	0.000	1	111.9000	0.000	1	111.2807	1.247	4	111.2212	0.953	5	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:4:3:1:	4:2:3:	4:3:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]C)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<4>,3|C<3>}	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]C)(S[5a]C[5a]){1|N<2>,2|C<3>,4|H<1>}	110.9830	0.000	1	110.9830	0.000	1	110.9830	0.000	1	111.2212	0.953	5	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:4:3:1:	4:2:3:	4:3:3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO)	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]O)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CCO){2|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]O){1|N<2>,2|H<1>,3|C<3>}	111.5430	0.055	2	111.5430	0.003	2	111.7550	0.136	3	111.7550	0.136	3	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:4:3:1:	4:2:3:	4:3:3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CHO)	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]N)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(CHO){2|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]N){1|N<2>,2|H<1>,3|C<3>}	112.1790	0.000	1	112.1790	0.000	1	111.7550	0.136	3	111.7550	0.136	3	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:4:3:1:	4:3:1:	3:4:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	N[5a]-3:C[5]-4:N[5a]-2:	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(H)	C[5a](N[5a]N[5a]C[6])(C[5]C[5]N[5]H)(N[5a]N[5a])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|N<2>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(H){1|N<2>,1|N<3>,4|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5]C[5]N[5]H)(N[5a]N[5a]){1|C<3>,3|C<4>,4|H<1>}	109.5940	0.000	1	109.5940	0.000	1	109.5940	0.000	1	109.5940	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:4:3:1:	4:3:1:	4:3:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(H)	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|N<2>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(H){1|N<2>,1|N<3>,4|H<1>}	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	110.4630	0.000	1	110.4630	0.000	1	110.4630	0.000	1	110.4630	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:4:3:1:	4:3:2:	4:3:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:N-2:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CH)(N[5]C[5]N)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(NC)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]CH)(N[5]C[5]N)(H){1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(NC){1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	113.5340	0.000	1	113.5340	0.000	1	113.5340	0.000	1	113.5340	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:4:3:1:	4:3:3:	3:3:4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5a]-3:N[5a]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]H){1|C<4>,1|H<1>,5|C<3>}	110.9700	0.000	1	110.9700	0.000	1	110.9700	0.000	1	110.9700	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:4:3:1:	4:3:3:	4:3:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CO)(N[5]C[5]C)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]N)(CCO)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CO)(N[5]C[5]C)(H){1|N<2>,2|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]N)(CCO){2|C<3>,2|H<1>,2|O<2>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	110.9640	0.000	1	110.9640	0.000	1	110.9640	0.000	1	110.9640	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:4:3:1:	4:3:4:	4:3:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5a]-3:N[5a]-2:	C[5](C[5a]N[5a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5a]C[5]H)(C[5]O[5]O)(CC[6a]HH)	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	C[5](C[5a]N[5a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|N<2>}	N[5](C[5]C[5a]C[5]H)(C[5]O[5]O)(CC[6a]HH){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.7790	0.000	1	109.7790	0.000	1	109.7790	0.000	1	109.7790	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:4:3:1:	4:3:4:	4:3:3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(C[5a]O[5a]H){1|C<3>,2|C<4>,3|H<1>}	111.7540	0.505	2	111.7540	0.255	2	111.7540	0.255	2	111.7540	0.255	2	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:4:3:1:	4:4:3:	4:2:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5a]-2:S[5a]-2:	C[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCO)	C[5a](C[5]C[5]N[5]H)(N[5a]C[5a])(S[5a]C[5a])	C[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCO){1|N<2>,1|S<2>,4|H<1>}	C[5a](C[5]C[5]N[5]H)(N[5a]C[5a])(S[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	109.7853	0.468	3	109.7853	0.219	3	109.7853	0.219	3	109.7853	0.219	3	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:4:3:1:	4:4:3:	4:3:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5a]-3:N[5a]-2:	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCO)	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|N<2>,4|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCO){1|N<2>,1|N<3>,4|H<1>}	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	111.8350	0.041	2	111.8350	0.002	2	111.8350	0.002	2	111.8350	0.002	2	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:4:3:2:	4:3:4:	3:4:3:	C[5a]-3:C[5]-4:N[5]-3:C-2:	C[5]-4:C[5]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]C)(CN)	N[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]C)(CN){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(CC[6a]HH){2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H){2|C<4>,3|C<3>,4|H<1>}	113.0380	0.000	1	113.0380	0.000	1	113.0380	0.000	1	113.0380	0.000	1	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	3:4:3:3:	4:3:1:	3:4:3:	C[5a]-3:C[5,5]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5,5]C[3x5]O[5]H)(N[5]C[5]H)(CC[6a]O)	N[5](C[5]C[5,5]C[5a]C)(C[5]C[3x5]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]N[5]C)(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5,5]C[3x5]O[5]H)(N[5]C[5]H)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5]C[5,5]C[5a]C)(C[5]C[3x5]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5]N[5]C)(C[5a]N[5a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	108.9600	0.000	2	108.9600	0.000	2	108.9600	0.000	2	108.9600	0.000	2	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	4:3:3:1:	4:3:4:	4:3:3:	C[3x5,6]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H)	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CCHH)	C[5a](C[5]C[3x5,6]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5]C[3x5,6]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	113.0250	0.000	1	113.0250	0.000	1	113.0250	0.000	1	112.7840	0.116	2	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	4:3:3:1:	4:3:4:	4:3:3:	C[3x5,6]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5a]-3:C[5a]-3:	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H)	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CC[6a]HH)	C[5a](C[5]C[3x5,6]N[5]H)(N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5]C[3x5,6]N[5]H)(N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	112.5430	0.000	1	112.5430	0.000	1	112.5430	0.000	1	112.7840	0.116	2	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	4:3:3:1:	4:4:1:	4:3:2:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,5]C[5,5]S[5]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H)	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CH)(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,5]C[5,5]S[5]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|S<4>,2|C<4>,4|H<1>}	112.6980	0.000	1	112.6980	0.000	1	112.6980	0.000	1	112.9295	0.107	2	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP2	C[5]	N[5]	C[5a]	4:3:3:1:	4:4:1:	4:3:2:	C[5,6]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,6]C[5,6]S[6]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H)	N[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]CH)(H)	C[5a](C[5]C[5,6]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,6]C[5,6]S[6]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]CH)(H){1|S<2>,1|S<4>,2|C<3>,2|H<1>}	C[5a](C[5]C[5,6]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|S<4>,2|C<4>,4|H<1>}	113.1610	0.000	1	113.1610	0.000	1	113.1610	0.000	1	112.9295	0.107	2	111.4003	2.150	71	113.6871	8.676	333
474	542	727	0:SP3_SP2_SP3	C[3x5]	N[5,5]	C[5,6a]	3:4:3:4:	4:4:4:	3:4:3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5,5]-4:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[3x5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)	N[5,5](C[3x5]C[5,6a]C[5,5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	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)	C[3x5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C){3|C<3>,3|C<4>,7|H<1>}	N[5,5](C[3x5]C[5,6a]C[5,5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,2|O<2>,4|C<3>,6|H<1>}	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>}	119.9550	0.000	1	119.9550	0.000	1	119.9550	0.000	1	119.9550	0.000	1	117.4486	2.106	5	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[3x5]	N[5,5]	C[5,6a]	4:3:4:3:	4:4:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5,5]-3:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[3x5]-4:C[5,6a,6a]-3:C[6a]-3:	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5])	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)	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)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5]){1|O<1>,3|C<4>,5|C<3>,7|H<1>}	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	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>}	117.4640	0.000	1	117.4640	0.000	1	116.8220	0.190	4	116.8220	0.190	4	117.4486	2.106	5	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[3x5]	N[5,5]	C[5,6a]	4:3:4:3:	4:4:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5,5]-3:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[3x5]-4:C[5,6a,6a]-3:C[6a]-3:	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5])	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]2H)(C[5]S[5]HH)	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)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5]){1|O<1>,1|S<2>,2|C<4>,5|C<3>,7|H<1>}	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	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>}	116.5720	0.000	1	116.5720	0.000	1	116.8220	0.190	4	116.8220	0.190	4	117.4486	2.106	5	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[3x5]	N[5,5]	C[5,6a]	4:3:4:3:	4:4:4:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5,5]-3:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[3x5]-4:C[5,6a,6a]-3:C[6a]-3:	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5])	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]S[5]H)(C[5]C[5]HH)	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)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5]){1|O<1>,1|S<2>,2|C<4>,5|C<3>,7|H<1>}	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]S[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	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>}	116.6260	0.140	2	116.6260	0.020	2	116.8220	0.190	4	116.8220	0.190	4	117.4486	2.106	5	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[3x5]	N[5]	C[5,6a]	4:3:4:3:	4:4:1:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5]-3:	C[3x5]-4:C[5]-4:H-1:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5]C[5]H)	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[6a]C[5]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)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5]C[5]H){1|C<4>,1|O<1>,5|H<1>,6|C<3>}	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,7|C<3>}	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>}	112.5357	0.709	3	112.5357	0.502	3	112.5357	0.502	3	112.5357	0.502	3	113.8810	2.704	6	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[3x5]	N[5]	C[5,6a]	4:3:4:3:	4:4:4:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5]-3:	C[3x5]-4:C[5]-4:C-4:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5,6]O)(N[5]C[5]C)	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3)	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)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5,6]O)(N[5]C[5]C){1|O<1>,6|C<3>,7|H<1>}	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	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>}	115.3500	0.000	1	115.3500	0.000	1	115.2263	0.828	3	115.2263	0.828	3	113.8810	2.704	6	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[3x5]	N[5]	C[5,6a]	4:3:4:3:	4:4:4:	3:4:3:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5]-3:	C[3x5]-4:C[5]-4:C-4:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5]C[5]C)	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3)	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)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	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>}	115.1645	1.278	2	115.1645	1.633	2	115.2263	0.828	3	115.2263	0.828	3	113.8810	2.704	6	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5,6,6]	N[5,5,6]	C[5a,6]	3:3:3:4:	4:4:4:	4:3:3:	N[5,5,6]-3:C[5a,6]-3:N[5,6,6]-3:C[5,6]-4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6]-4:	C[5,5,6,6]-4:C[5a,6]-3:N[5a]-3:	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(N[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]HH)	N[5,5,6](C[5,5,6,6]N[5,6,6]C[5a,6]C[5,6])(C[5,5,6,6]C[5a,6]C[5,6]2)(C[6]C[6]HH)	C[5a,6](C[5,5,6,6]N[5,5,6]N[5,6,6]C[5,6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(N[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]HH){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	N[5,5,6](C[5,5,6,6]N[5,6,6]C[5a,6]C[5,6])(C[5,5,6,6]C[5a,6]C[5,6]2)(C[6]C[6]HH){1|O<1>,2|C<3>,2|N<3>,3|C<4>,4|H<1>}	C[5a,6](C[5,5,6,6]N[5,5,6]N[5,6,6]C[5,6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,4|C<4>,4|H<1>}	117.4850	0.000	1	117.4850	0.000	1	117.4850	0.000	1	117.4850	0.000	1	117.4850	0.000	1	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5,6]	N[5]	C[5,6a]	3:4:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:N[5]-3:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5,6a]C)	N[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,6a](C[5,5,6]C[5,6]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5,6a]C){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	N[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<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>}	112.1460	0.000	1	112.1460	0.000	1	112.1460	0.000	1	112.1460	0.000	1	112.1325	0.000	2	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5,6]	N[5]	C[5,6a]	4:3:3:4:	4:3:1:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:N[5]-3:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6]C[6]HH)	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(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]O)	C[5,5,6](C[5,5,6]C[5,6a]C[6]O[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	N[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[5,6a]C[6a])(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	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]O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	112.1190	0.000	1	112.1190	0.000	1	112.1190	0.000	1	112.1190	0.000	1	112.1325	0.000	2	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	N[5,5]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5,5]N[5,5]C[5])	N[5,5](N[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]3)(C[5]C[6a]2N[5])	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)	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5,5]N[5,5]C[5]){1|N<3>,3|H<1>,9|C<3>}	N[5,5](N[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]3)(C[5]C[6a]2N[5]){11|C<3>,1|O<1>}	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>}	116.1930	7.396	2	116.1930	54.706	2	116.1930	54.706	2	116.1930	54.706	2	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:N[5]-3:	C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]N[5,5]C[5])(C[5]N[5]O)(N[5]C[5]C)	N[5,5](C[5,5]C[5,6a]C[5]N[5])(N[5,5]C[5]2)(C[5]C[5]O)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]N[5,5]C[5])(C[5]N[5]O)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[5,5](C[5,5]C[5,6a]C[5]N[5])(N[5,5]C[5]2)(C[5]C[5]O){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	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>}	112.9300	0.000	1	112.9300	0.000	1	112.9300	0.000	1	112.9300	0.000	1	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5,5]N[5,5]C[5])(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]2C[5])(N[5,5]C[5,6a]C[5])(C[5]C[5]CH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5,5]N[5,5]C[5])(C[5]N[5]O){3|C<4>,3|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]2C[5])(N[5,5]C[5,6a]C[5])(C[5]C[5]CH){1|N<3>,2|H<1>,2|O<1>,4|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>}	113.9870	0.000	1	113.9870	0.000	1	113.9870	0.000	1	113.9870	0.000	1	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){2|C<3>,2|C<4>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	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>}	118.0795	1.927	2	118.0955	1.619	4	118.1996	1.269	5	118.1996	1.269	5	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){2|C<4>,3|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	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>}	117.3550	0.000	1	118.0955	1.619	4	118.1996	1.269	5	118.1996	1.269	5	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){3|C<3>,3|C<4>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	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>}	118.8680	0.000	1	118.0955	1.619	4	118.1996	1.269	5	118.1996	1.269	5	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<3>,1|O<1>,2|H<1>,4|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>}	118.6160	0.000	1	118.6160	0.000	1	118.1996	1.269	5	118.1996	1.269	5	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:3:	4:3:3:	N[5,5]-3:C[5,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,5]-4:C[5,5,6]-4:N[5,5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5,5]C[5]H)	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5]C[5])	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)	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5,5]C[5]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,6|C<3>}	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5]C[5]){1|O<1>,3|C<4>,4|H<1>,6|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>}	114.4910	3.148	2	114.4910	9.910	2	114.4910	9.910	2	114.4910	9.910	2	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5,5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5,5]C[5]3)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5,5]C[5]3){1|C<4>,1|O<1>,1|S<2>,6|C<3>,7|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|O<1>,3|H<1>,5|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>}	119.2030	0.000	1	119.2030	0.000	1	119.2030	0.000	1	117.1606	1.689	8	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CC)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CC){1|C<4>,1|S<2>,4|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<2>,1|O<1>,3|H<1>,5|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>}	117.9960	0.000	1	117.9960	0.000	1	117.1073	0.934	6	117.1606	1.689	8	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){1|C<4>,5|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,5|C<3>,5|H<1>}	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>}	116.2300	0.000	1	117.1123	1.018	4	117.1073	0.934	6	117.1606	1.689	8	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){2|C<4>,3|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,4|C<3>,7|H<1>}	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>}	116.2830	0.000	1	117.1123	1.018	4	117.1073	0.934	6	117.1606	1.689	8	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){2|C<4>,4|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,5|C<3>,6|H<1>}	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>}	118.2160	0.000	1	117.1123	1.018	4	117.1073	0.934	6	117.1606	1.689	8	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){3|C<3>,3|C<4>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	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>}	117.7200	0.000	1	117.1123	1.018	4	117.1073	0.934	6	117.1606	1.689	8	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){1|C<4>,1|S<2>,3|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|O<1>,4|C<3>,5|H<1>}	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>}	116.1990	0.000	1	116.1990	0.000	1	117.1073	0.934	6	117.1606	1.689	8	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-4:C[5]-4:C[5,5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CC)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CC){1|S<2>,2|C<4>,4|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H){1|C<4>,1|O<1>,2|C<2>,3|H<1>,5|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>}	115.4380	0.000	1	115.4380	0.000	1	115.4380	0.000	1	117.1606	1.689	8	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5,5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3){1|N<2>,2|C<4>,2|O<1>,5|H<1>,6|C<3>}	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<2>,5|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){3|C<4>,6|C<3>}	114.7580	0.000	1	114.7580	0.000	1	114.7580	0.000	1	110.8900	10.695	9	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H){1|Fe<10>,1|N<2>,4|C<3>,4|C<4>,5|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<2>,4|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>,4|C<4>}	108.7150	0.000	1	109.0660	0.246	2	110.4065	9.819	8	110.8900	10.695	9	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H){1|N<2>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<2>,5|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	109.4170	0.000	1	109.0660	0.246	2	110.4065	9.819	8	110.8900	10.695	9	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC){1|C<4>,1|N<2>,1|S<2>,4|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<2>,1|N<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|C<2>,3|C<4>,5|C<3>}	111.9380	0.000	1	111.9380	0.000	1	110.4065	9.819	8	110.8900	10.695	9	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH){1|N<2>,3|C<3>,3|C<4>,5|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<2>,4|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	109.5480	0.000	1	109.5480	0.000	1	110.4065	9.819	8	110.8900	10.695	9	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH){1|C<4>,1|N<2>,1|S<2>,4|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<2>,4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	113.6255	5.539	2	113.6255	30.678	2	110.4065	9.819	8	110.8900	10.695	9	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H){1|N<2>,1|N<3>,2|C<4>,5|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<2>,1|N<3>,4|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	107.6460	0.000	1	107.6460	0.000	1	110.4065	9.819	8	110.8900	10.695	9	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<2>,1|N<3>,1|S<2>,5|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	108.7370	0.000	1	108.7370	0.000	1	110.4065	9.819	8	110.8900	10.695	9	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5,5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3){1|N<2>,2|C<4>,2|O<1>,5|H<1>,6|C<3>}	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<2>,5|H<1>,6|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>}	111.9550	0.000	1	111.9550	0.000	1	111.9550	0.000	1	115.8194	7.452	9	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H){1|Fe<10>,1|N<2>,4|C<3>,4|C<4>,5|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<2>,4|C<3>,6|H<1>}	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>}	116.4870	0.000	1	117.6310	2.617	2	116.3025	6.116	8	115.8194	7.452	9	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H){1|N<2>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<2>,5|C<3>,6|H<1>}	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>}	118.7750	0.000	1	117.6310	2.617	2	116.3025	6.116	8	115.8194	7.452	9	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC){1|C<4>,1|N<2>,1|S<2>,4|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<2>,1|N<2>,3|H<1>,5|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>}	120.5390	0.000	1	120.5390	0.000	1	116.3025	6.116	8	115.8194	7.452	9	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH){1|N<2>,3|C<3>,3|C<4>,5|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<2>,4|C<3>,6|H<1>}	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>}	114.7910	0.000	1	114.7910	0.000	1	116.3025	6.116	8	115.8194	7.452	9	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH){1|C<4>,1|N<2>,1|S<2>,4|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<2>,4|H<1>,5|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>}	115.0770	1.875	2	115.0770	3.517	2	116.3025	6.116	8	115.8194	7.452	9	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H){1|N<2>,1|N<3>,2|C<4>,5|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<2>,1|N<3>,4|C<3>,6|H<1>}	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>}	113.1610	0.000	1	113.1610	0.000	1	116.3025	6.116	8	115.8194	7.452	9	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<2>,1|N<3>,1|S<2>,5|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	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>}	116.5130	0.000	1	116.5130	0.000	1	116.3025	6.116	8	115.8194	7.452	9	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:1:	4:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O){2|C<4>,3|C<3>,3|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>}	115.6770	0.000	1	115.6770	0.000	1	115.6770	0.000	1	115.6770	0.000	1	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	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>}	115.9770	0.000	1	115.9770	0.000	1	115.9770	0.000	1	117.1405	2.707	2	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5])(C[5]C[5]CH)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(N[5]C[5]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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(N[5]C[5]H){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	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>}	118.3040	0.000	1	118.3040	0.000	1	118.3040	0.000	1	117.1405	2.707	2	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2N[5])(C[5]C[5,6a]O)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2N[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<2>,1|O<1>,3|H<1>,5|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>}	115.0850	0.000	1	115.0850	0.000	1	115.0850	0.000	1	112.4558	3.620	12	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|O<1>,1|O<2>,2|C<4>,5|C<3>,7|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	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>}	111.7000	0.000	1	111.7000	0.000	1	111.9999	3.012	10	112.4558	3.620	12	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,7|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|O<1>,3|H<1>,5|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>}	112.3490	1.683	8	112.0332	3.376	9	111.9999	3.012	10	112.4558	3.620	12	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|C<3>,7|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|O<1>,3|H<1>,5|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>}	109.5070	0.000	1	112.0332	3.376	9	111.9999	3.012	10	112.4558	3.620	12	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5,6a]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5,6a]O){2|C<4>,4|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|O<1>,5|H<1>,6|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>}	114.3850	0.000	1	114.3850	0.000	1	114.3850	0.000	1	112.4558	3.620	12	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5,5]-3:	C[5,5]-4:C[3x5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,5]C[6a]H)(N[5,5]C[3x5]C[5])	N[5,5](C[5,5]C[5,6a]2C[5])(C[3x5]C[5,5]2H)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,5]C[6a]H)(N[5,5]C[3x5]C[5]){2|C<4>,6|H<1>,7|C<3>}	N[5,5](C[5,5]C[5,6a]2C[5])(C[3x5]C[5,5]2H)(C[5]C[5]HH){1|C<4>,1|O<2>,4|H<1>,6|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>}	111.9365	3.521	2	111.9365	12.395	2	111.9365	12.395	2	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	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>}	116.8330	0.000	2	116.8330	0.000	2	115.8631	4.584	8	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,8|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	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>}	114.7883	1.088	3	114.9825	0.940	4	115.8631	4.584	8	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O){2|C<4>,2|O<1>,5|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	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>}	115.5650	0.000	1	114.9825	0.940	4	115.8631	4.584	8	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|C<3>,8|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<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>}	120.0480	0.000	1	116.6545	23.032	2	115.8631	4.584	8	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O){1|C<4>,1|O<1>,2|S<2>,4|C<3>,8|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<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>}	113.2610	0.000	1	116.6545	23.032	2	115.8631	4.584	8	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,8|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	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>}	112.0495	0.329	2	112.7677	1.474	4	112.2680	1.467	7	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|O<2>,2|C<4>,4|C<3>,8|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	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>}	114.5470	0.000	1	112.7677	1.474	4	112.2680	1.467	7	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|O<2>,3|C<4>,4|C<3>,7|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	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>}	112.4250	0.000	1	112.7677	1.474	4	112.2680	1.467	7	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,1|S<2>,4|C<3>,8|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<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>}	111.3900	0.000	1	111.6017	1.023	3	112.2680	1.467	7	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|S<2>,2|C<4>,4|C<3>,8|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<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>}	111.7075	1.406	2	111.6017	1.023	3	112.2680	1.467	7	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[5,5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]S[5]H)(C[5,5]C[5]2H)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|S<2>,2|C<4>,5|C<3>,7|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]S[5]H)(C[5,5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<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>}	117.6690	0.000	1	117.6690	0.000	1	117.6690	0.000	1	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC)(C[5]N[5]O){1|C<4>,1|S<2>,3|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|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|C<3>,3|H<1>,4|C<4>}	119.8285	0.856	2	119.8285	0.733	2	117.6247	4.698	22	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<3>,4|C<4>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	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>}	119.2750	0.000	1	117.8194	4.818	10	117.6247	4.698	22	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	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>}	119.5140	0.000	1	117.8194	4.818	10	117.6247	4.698	22	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	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>}	113.0960	0.000	1	117.8194	4.818	10	117.6247	4.698	22	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	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>}	118.6250	1.565	5	117.8194	4.818	10	117.6247	4.698	22	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,3|C<4>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	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>}	116.5920	0.001	2	117.8194	4.818	10	117.6247	4.698	22	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CN)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CN)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|N<3>,3|C<3>,5|H<1>}	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>}	119.2100	0.027	2	119.2100	0.001	2	117.6247	4.698	22	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O){3|C<3>,3|C<4>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	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>}	114.4650	0.349	2	114.4650	0.122	2	117.6247	4.698	22	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]N[5]O){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	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>}	115.8320	0.000	1	115.8320	0.000	1	117.6247	4.698	22	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<2>,1|N<3>,2|C<4>,3|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	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>}	114.9620	0.000	1	117.3420	3.933	5	117.6247	4.698	22	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,2|N<3>,3|C<3>,6|H<1>}	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>}	120.4330	0.000	1	117.3420	3.933	5	117.6247	4.698	22	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,2|N<3>,3|C<3>,6|H<1>}	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>}	117.1050	0.416	3	117.3420	3.933	5	117.6247	4.698	22	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:C[5,5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5]CH)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,3|C<4>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,7|H<1>}	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>}	118.6000	0.000	1	118.6000	0.000	1	117.1833	1.523	3	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:C[5,5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(C[5]N[5]O){1|N<3>,3|C<4>,4|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H){1|O<1>,2|C<4>,2|N<3>,3|C<3>,7|H<1>}	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>}	116.4750	0.191	2	116.4750	0.036	2	117.1833	1.523	3	116.1306	8.333	43	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:4:3:1:	4:4:4:	3:4:3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:H-1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]O[5]2)(N[5,5]C[5,5]C[5])(H)	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]O[5])	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]O[5]2)(N[5,5]C[5,5]C[5])(H){2|C<4>,3|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]O[5]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	115.3970	0.000	1	115.3970	0.000	1	115.3970	0.000	1	115.3970	0.000	1	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:4:3:3:	4:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(N[5]C[5]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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(N[5]C[5]H){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	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>}	113.0030	1.727	2	113.0030	2.982	2	115.4183	18.992	3	115.4183	18.992	3	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:4:3:3:	4:4:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]N[5])(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(N[5]C[5]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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]N[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|H<1>,6|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(N[5]C[5]H){1|N<3>,2|O<1>,3|H<1>,5|C<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>}	120.2490	0.000	1	120.2490	0.000	1	115.4183	18.992	3	115.4183	18.992	3	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>,6|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,5|H<1>,6|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>}	114.9290	1.561	2	115.3100	1.654	3	115.3100	1.654	3	116.8700	6.234	5	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|O<1>,2|C<4>,5|H<1>,7|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,5|H<1>,6|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>}	116.0720	0.000	1	115.3100	1.654	3	115.3100	1.654	3	116.8700	6.234	5	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|N<3>,1|S<2>,2|C<4>,4|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|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>}	119.2100	1.837	2	119.2100	3.375	2	119.2100	3.375	2	116.8700	6.234	5	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|N<2>,3|C<4>,5|H<1>,6|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	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>}	115.3360	0.000	1	115.3360	0.000	1	115.1760	0.055	3	115.0440	0.238	7	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	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>}	115.2850	0.000	1	115.0960	0.071	2	115.1760	0.055	3	115.0440	0.238	7	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,3|C<4>,5|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	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>}	114.9070	0.000	1	115.0960	0.071	2	115.1760	0.055	3	115.0440	0.238	7	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	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>}	114.8250	0.000	1	114.8250	0.000	1	114.8250	0.000	1	115.0440	0.238	7	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|S<2>,3|C<4>,4|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	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>}	115.1680	0.000	1	114.9850	0.605	3	114.9850	0.605	3	115.0440	0.238	7	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|S<2>,3|C<4>,4|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	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>}	115.6550	0.000	1	114.9850	0.605	3	114.9850	0.605	3	115.0440	0.238	7	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){3|C<4>,5|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	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>}	114.1320	0.000	1	114.9850	0.605	3	114.9850	0.605	3	115.0440	0.238	7	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	4:3:3:3:	4:4:4:	4:3:2:	C[3,5]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	N[5,5](C[5,5]C[5,6a]2C[3,5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,2|C<4>,5|H<1>,7|C<3>}	N[5,5](C[5,5]C[5,6a]2C[3,5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){4|C<4>,5|C<3>}	118.6360	0.000	1	118.6360	0.000	1	118.6360	0.000	1	111.5867	37.326	3	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	4:3:3:3:	4:4:4:	4:3:2:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,1|N<3>,3|C<4>,4|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,4|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	107.8240	0.000	1	107.8240	0.000	1	108.0620	0.113	2	111.5867	37.326	3	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	4:3:3:3:	4:4:4:	4:3:2:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH)	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,1|N<3>,1|S<2>,2|C<4>,4|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	108.3000	0.000	1	108.3000	0.000	1	108.0620	0.113	2	111.5867	37.326	3	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	4:3:3:3:	4:4:4:	4:3:3:	C[3,5]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	N[5,5](C[5,5]C[5,6a]2C[3,5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	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)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,2|C<4>,5|H<1>,7|C<3>}	N[5,5](C[5,5]C[5,6a]2C[3,5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<2>,4|H<1>,5|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>}	114.0960	0.000	1	114.0960	0.000	1	114.0960	0.000	1	116.7567	3.272	7	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	4:3:3:3:	4:4:4:	4:3:3:	C[3,5]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	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)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){2|C<4>,6|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	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>}	116.1900	0.000	1	117.4635	3.244	2	117.4635	3.244	2	116.7567	3.272	7	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	4:3:3:3:	4:4:4:	4:3:3:	C[3,5]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	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)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){3|C<4>,5|H<1>,6|C<3>}	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	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>}	118.7370	0.000	1	117.4635	3.244	2	117.4635	3.244	2	116.7567	3.272	7	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	4:3:3:3:	4:4:4:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)	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)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,1|N<3>,3|C<4>,4|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,4|C<3>,5|H<1>}	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>}	115.0170	0.000	1	115.0170	0.000	1	116.5220	4.530	2	116.7567	3.272	7	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	4:3:3:3:	4:4:4:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH)	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)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,1|N<3>,1|S<2>,2|C<4>,4|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|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>}	118.0270	0.000	1	118.0270	0.000	1	116.5220	4.530	2	116.7567	3.272	7	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	4:3:3:3:	4:4:4:	4:3:3:	C[5,6]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH)	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)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|C<4>,1|S<2>,5|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	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>}	118.6630	0.000	1	117.6150	2.197	2	117.6150	2.197	2	116.7567	3.272	7	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	4:3:3:3:	4:4:4:	4:3:3:	C[5,6]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH)	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)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|C<4>,1|S<2>,5|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	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>}	116.5670	0.000	1	117.6150	2.197	2	117.6150	2.197	2	116.7567	3.272	7	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	4:3:3:4:	4:4:4:	4:3:3:	C[3,5]-4:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]HO)	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	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)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]HO){3|C<4>,5|H<1>,6|C<3>}	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	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>}	113.3080	0.000	1	113.3080	0.000	1	113.3080	0.000	1	113.3080	0.000	1	115.3006	10.264	122	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5a]	3:3:4:2:	4:3:4:	4:2:2:	C[5a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:N[5a]-2:O[5a]-2:	C[5,5](C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]N[5])	N[5,5](C[5,5]C[5a]C[5]O[5])(C[5]C[6a]N[5])(C[5]C[5]HH)	C[5a](C[5,5]N[5,5]C[5]O[5])(N[5a]C[5a])(O[5a]N[5a])	C[5,5](C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]N[5]){1|N<2>,2|C<3>,4|H<1>}	N[5,5](C[5,5]C[5a]C[5]O[5])(C[5]C[6a]N[5])(C[5]C[5]HH){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[5a](C[5,5]N[5,5]C[5]O[5])(N[5a]C[5a])(O[5a]N[5a]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,6]	C[5,5a]	3:3:4:1:	4:4:4:	4:3:3:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2C)(H)	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2C)(H){3|C<3>,3|C<4>,6|H<1>}	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C){2|H<1>,3|C<3>,3|C<4>}	118.3635	0.161	2	118.3635	0.026	2	117.4630	2.966	4	117.4630	2.966	4	117.4630	2.966	4	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,6]	C[5,5a]	3:3:4:1:	4:4:4:	4:3:3:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H)	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H)	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H){1|C<4>,4|C<3>,7|H<1>}	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a]C[5])(C[5a]C[5a]H){3|C<4>,5|H<1>}	118.2400	0.000	1	118.2400	0.000	1	117.4630	2.966	4	117.4630	2.966	4	117.4630	2.966	4	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,6]	C[5,5a]	3:3:4:1:	4:4:4:	4:3:3:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:N[5,5a]-3:C[5a]-3:	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H)	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl)	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H){1|Cl<1>,1|C<4>,3|C<3>,7|H<1>}	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,5a](C[5,5]C[5,5]N[5,6]H)(N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Cl){2|C<3>,3|C<4>,3|H<1>}	114.8850	0.000	1	114.8850	0.000	1	117.4630	2.966	4	117.4630	2.966	4	117.4630	2.966	4	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,6]	C[5,6a]	3:3:3:4:	4:3:4:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[5]-3:C[5]-4:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(C[5]C[5]CH)	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6])(C[6]C[6]HH)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O)(C[5]C[5]CH){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|S<4>,3|C<3>,3|C<4>,4|H<1>}	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>}	112.3660	0.000	1	112.3660	0.000	1	112.3660	0.000	1	112.3660	0.000	1	113.4670	3.888	34	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,6]	C[5,6a]	3:3:4:1:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H)	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H){2|C<4>,3|C<3>,5|H<1>}	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH){2|C<4>,3|C<3>,4|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>}	113.3060	0.000	1	113.3060	0.000	1	114.1315	1.363	2	114.1315	1.363	2	113.4670	3.888	34	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,6]	C[5,6a]	3:3:4:1:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H)	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]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]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H){2|C<4>,4|C<3>,4|H<1>}	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	114.9570	0.000	1	114.9570	0.000	1	114.1315	1.363	2	114.1315	1.363	2	113.4670	3.888	34	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,6]	C[5,6a]	3:3:4:3:	4:4:4:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|N<3>,1|O<1>,2|C<4>,5|C<3>,7|H<1>}	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|O<1>,2|C<4>,5|C<3>,5|H<1>}	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>}	109.6386	0.743	5	109.6386	0.551	5	109.6386	0.551	5	109.6386	0.551	5	113.4670	3.888	34	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,6]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]3)(C[5]N[5]O)	N[5,6](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]3)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,5|C<3>,8|H<1>}	N[5,6](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<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>}	114.1150	0.000	1	114.1150	0.000	1	114.1150	0.000	1	112.6415	0.923	6	113.4670	3.888	34	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,6]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O)	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HH)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O){1|S<2>,2|C<4>,3|C<3>,5|H<1>}	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	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>}	113.4000	0.000	1	113.4000	0.000	1	112.4010	0.650	4	112.6415	0.923	6	113.4670	3.888	34	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,6]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]CH)(C[5]N[5]O)	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,4|C<3>,6|H<1>}	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH){1|N<3>,1|O<1>,4|H<1>,6|C<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>}	111.7485	0.076	2	111.7485	0.006	2	112.4010	0.650	4	112.6415	0.923	6	113.4670	3.888	34	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,6]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]N[5]O)	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]N[5]O){1|S<4>,2|C<4>,3|C<3>,5|H<1>}	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,1|S<4>,3|C<3>,5|H<1>}	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>}	112.7070	0.000	1	112.7070	0.000	1	112.4010	0.650	4	112.6415	0.923	6	113.4670	3.888	34	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,6]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	C[5,6]-4:C[5,5]-4:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]2)(C[6]C[6]HH)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O){2|C<4>,4|H<1>,5|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|H<1>,7|C<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>}	112.1300	0.000	1	112.1300	0.000	1	112.1300	0.000	1	112.6415	0.923	6	113.4670	3.888	34	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,6]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:C[5]-3:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O)	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O){1|N<3>,3|C<4>,4|H<1>,5|C<3>}	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	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>}	113.7060	0.000	1	113.7060	0.000	1	113.7060	0.000	1	113.7060	0.000	1	113.4670	3.888	34	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,6]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5,6]-3:C[5]-3:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[5]N[5]O)	N[5,6](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	N[5,6](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,5|C<3>,5|H<1>}	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>}	115.1000	0.000	1	115.1000	0.000	1	115.1000	0.000	1	115.0085	0.017	2	113.4670	3.888	34	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,6]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5]-4:N[5,6]-3:C[5]-3:	C[5,6]-4:C[5,5]-4:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]C[6])(C[5]N[5]O)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]2)(C[6]C[6]HH)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]C[6])(C[5]N[5]O){2|C<4>,5|H<1>,6|C<3>}	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<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>}	114.9170	0.000	1	114.9170	0.000	1	114.9170	0.000	1	115.0085	0.017	2	113.4670	3.888	34	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,6]	C[5,6a]	4:3:3:2:	4:4:4:	3:4:3:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)	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)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){3|C<4>,5|C<3>,5|H<1>}	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,5|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>}	114.5885	0.641	4	114.5885	0.410	4	114.8704	0.288	9	114.8704	0.288	9	113.4670	3.888	34	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,6]	C[5,6a]	4:3:3:2:	4:4:4:	3:4:3:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)	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)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){2|C<4>,5|C<3>,6|H<1>}	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,5|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>}	115.2567	0.320	3	115.0960	0.125	5	114.8704	0.288	9	114.8704	0.288	9	113.4670	3.888	34	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,6]	C[5,6a]	4:3:3:2:	4:4:4:	3:4:3:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)	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)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){3|C<4>,5|C<3>,5|H<1>}	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,5|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>}	114.8550	0.320	2	115.0960	0.125	5	114.8704	0.288	9	114.8704	0.288	9	113.4670	3.888	34	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,6]	C[5,6a]	4:3:3:2:	4:4:4:	4:3:3:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)	C[5,6a](C[5,5]C[3x5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,5|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>}	114.3120	1.097	2	114.8710	0.838	5	114.8887	0.673	6	114.8887	0.673	6	113.4670	3.888	34	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,6]	C[5,6a]	4:3:3:2:	4:4:4:	4:3:3:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)	C[5,6a](C[5,5]C[3x5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,5|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>}	115.2437	0.744	3	114.8710	0.838	5	114.8887	0.673	6	114.8887	0.673	6	113.4670	3.888	34	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,6]	C[5,6a]	4:3:3:2:	4:4:4:	4:3:3:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)	C[5,6a](C[5,5]C[3x5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,5|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>}	114.9770	0.000	1	114.9770	0.000	1	114.8887	0.673	6	114.8887	0.673	6	113.4670	3.888	34	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5,6]	C[5,6a]	4:3:3:3:	4:4:4:	4:3:3:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]N[5]O)	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)	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)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]N[5]O){1|N<3>,3|C<4>,4|C<3>,5|H<1>}	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH){1|O<1>,2|C<4>,2|N<3>,3|C<3>,5|H<1>}	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>}	113.1595	0.342	2	113.1595	0.117	2	113.1595	0.117	2	113.1595	0.117	2	113.4670	3.888	34	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,5a]	3:4:3:1:	4:4:4:	3:4:2:	C[5,5a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	N[5,5a]-3:C[5,5]-4:N[5a]-2:	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]2H)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]CH)(CC[6a]HH)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]N[5]H)(N[5a]C[5a,6a])	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]2H)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	N[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]CH)(CC[6a]HH){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,5]C[5,5]N[5]H)(N[5a]C[5a,6a]){2|C<3>,3|C<4>,3|H<1>}	117.1140	0.000	1	117.1140	0.000	1	117.1140	0.000	1	117.1140	0.000	1	116.6715	0.392	2	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,5a]	4:3:3:1:	4:4:3:	4:3:2:	C[5,5,6]-4:C[5,5a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5,5a]-3:O[5a]-2:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]CH)(COO)	C[5,5a](C[5,5]C[5,5,6]N[5]H)(C[5,5a]C[5,6]C[5a])(O[5a]C[5a])	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]CH)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5a](C[5,5]C[5,5,6]N[5]H)(C[5,5a]C[5,6]C[5a])(O[5a]C[5a]){1|C<3>,3|H<1>,4|C<4>}	116.2290	0.000	1	116.2290	0.000	1	116.2290	0.000	1	116.2290	0.000	1	116.6715	0.392	2	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:2:3:	4:3:1:	4:3:3:	C[5,6a]-3:N[5]-3:S[5]-2:C[5]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(S[5]C[5,6a])(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(S[5]C[5,6a])(C[5]N[5]O){2|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,4|C<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>}	118.5255	0.057	2	118.5255	0.003	2	118.5255	0.003	2	118.5255	0.003	2	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:3:2:	4:3:4:	4:3:3:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|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|O<1>,2|C<3>,2|H<1>,3|C<4>}	117.5810	0.000	1	117.5810	0.000	1	117.5810	0.000	1	117.5810	0.000	1	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:3:2:	4:4:1:	4:3:3:	C[5,6a]-3:C[5]-3:N[5]-3:S[5]-2:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)(S[5]C[5])	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5]C[5a]C[5]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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)(S[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5]C[5a]C[5]H)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>,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>}	112.7190	0.000	1	112.7190	0.000	1	112.7190	0.000	1	112.7190	0.000	1	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	3:4:1:	3:4:3:	C[5,6a]-3:C[5]-3:N[5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[5]N[5]O)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(H){1|H<1>,1|N<3>,2|O<1>,4|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>}	117.9650	0.000	1	117.9650	0.000	1	117.9650	0.000	1	117.9650	0.000	1	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:Ga[5]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[6a]Ga[5])(C[5]C[5,6a]N)(C[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(Ga[5]Ga[5]C[5])(C[6a]C[6a]2)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[6a]Ga[5])(C[5]C[5,6a]N)(C[5]C[5]H){1|Ga<3>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(Ga[5]Ga[5]C[5])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|C<4>,2|H<1>,6|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>}	120.6530	0.000	1	120.6530	0.000	1	120.6530	0.000	1	120.6530	0.000	1	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C)	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a]P)(CC[6a]2H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C){1|P<4>,3|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a]P)(CC[6a]2H){6|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>}	111.2750	6.534	2	111.2750	42.689	2	111.2750	42.689	2	112.1507	23.645	3	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:3:4:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]2H){1|O<1>,2|N<3>,3|H<1>,7|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>}	113.9020	0.000	1	113.9020	0.000	1	113.9020	0.000	1	112.1507	23.645	3	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:4:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H){1|N<3>,1|O<1>,6|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>}	114.9120	0.000	1	114.9120	0.000	1	114.9120	0.000	1	114.7513	7.164	3	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:4:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CC)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CC)(H){1|H<1>,1|N<3>,1|O<1>,4|C<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>}	114.6710	3.780	2	114.6710	14.290	2	114.6710	14.290	2	114.7513	7.164	3	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]CH)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]CH)(H){1|N<3>,1|O<1>,4|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>}	113.3390	2.251	2	113.3390	5.069	2	113.3390	5.069	2	113.8295	3.418	4	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CH)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CH)(H){1|N<3>,1|O<1>,4|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>}	115.7730	0.000	1	115.7730	0.000	1	115.7730	0.000	1	113.8295	3.418	4	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:N[5]-3:	C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]C[5])(N[5]S[5]H)	N[5](C[5,5]C[5,6a]2N[5])(S[5]C[5,6a]OO)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]C[5])(N[5]S[5]H){2|H<1>,3|O<1>,6|C<3>}	N[5](C[5,5]C[5,6a]2N[5])(S[5]C[5,6a]OO)(H){6|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>}	112.8670	0.000	1	112.8670	0.000	1	112.8670	0.000	1	113.8295	3.418	4	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:4:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,8|C<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>}	114.9450	3.572	2	114.9450	12.761	2	114.9450	12.761	2	114.9450	12.761	2	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]N[5,5]C[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]N[5,5]C[6a]H)(COO)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]N[5,5]C[5])(C[5]N[5]O)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]N[5,5]C[6a]H)(COO){1|C<4>,1|N<3>,1|O<1>,5|C<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>}	118.4860	0.000	1	118.4860	0.000	1	118.4860	0.000	1	118.4860	0.000	1	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]C){4|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,4|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>}	113.0070	0.000	1	113.0070	0.000	1	113.0070	0.000	1	116.1413	7.423	3	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CC[6a]HH){2|H<1>,2|N<3>,2|O<1>,5|C<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>}	117.7085	0.333	2	117.7085	0.111	2	117.7085	0.111	2	116.1413	7.423	3	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:S[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]S[5]C)	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]S[5]C){2|H<1>,2|O<1>,5|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(CH3){1|I<1>,5|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>}	114.8460	0.000	1	114.8460	0.000	1	114.8460	0.000	1	114.8460	0.000	1	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C[5]-4:	C[5,5]-4:C[6a]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]ClC)	N[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]C)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]ClC){1|C<2>,4|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[6a]C[6a]2)(N[5]C[5]C){1|Cl<1>,4|H<1>,7|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>}	114.6290	0.608	2	114.6290	0.370	2	114.6290	0.370	2	114.6290	0.370	2	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6a]-3:N[5]-3:C[5,5]-4:O-2:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH)	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]S)	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2O)(OH){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]O)(C[6a]C[6a]2)(C[5]C[5]S){1|N<3>,1|O<2>,2|H<1>,5|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>}	112.0530	0.000	1	112.0530	0.000	1	112.0530	0.000	1	112.0530	0.000	1	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]O[5]HH)(N[5]C[5]H){1|H<1>,1|O<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]O)(H){2|H<1>,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<2>,4|C<3>,5|H<1>}	113.4070	0.000	1	113.4070	0.000	1	113.4070	0.000	1	113.4070	0.000	1	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:3:2:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(C[5]C[5]CH)(C[5]N[5]O){1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|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|H<1>,4|C<3>}	114.5480	0.000	1	114.5480	0.000	1	114.5480	0.000	1	114.5480	0.000	1	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5]2)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)2(H){2|N<3>,2|O<1>,3|H<1>,5|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<3>,1|O<1>,3|C<4>,5|H<1>}	112.2870	0.000	1	112.2870	0.000	1	112.2870	0.000	1	112.2870	0.000	1	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:1:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){2|C<4>,2|H<1>,5|C<3>}	114.7770	0.000	1	114.7770	0.000	1	114.6340	0.041	2	114.6340	0.041	2	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:1:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){2|C<4>,2|H<1>,5|C<3>}	114.4910	0.000	1	114.4910	0.000	1	114.6340	0.041	2	114.6340	0.041	2	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H){1|C<4>,1|N<2>,2|H<1>,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|C<3>,2|C<4>,2|N<2>,4|H<1>}	108.6040	0.000	1	108.6040	0.000	1	110.9095	10.631	2	111.4017	5.541	7	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H){1|N<2>,1|N<3>,2|H<1>,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|C<3>,2|C<4>,2|N<2>,4|H<1>}	113.2150	0.000	1	113.2150	0.000	1	110.9095	10.631	2	111.4017	5.541	7	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]CH)(N[5]S[5]H)	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]CH)(N[5]S[5]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H){1|C<4>,1|H<1>,5|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>,4|C<3>,5|H<1>}	113.7080	0.000	1	113.7080	0.000	1	111.5986	5.484	5	111.4017	5.541	7	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(N[5]S[5]H)	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(N[5]S[5]H){1|C<4>,2|H<1>,2|O<1>,5|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H){1|C<4>,2|H<1>,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>,4|C<3>,5|H<1>}	109.3880	0.000	1	109.3880	0.000	1	111.5986	5.484	5	111.4017	5.541	7	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H)	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H){2|H<1>,2|O<1>,7|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H){1|H<1>,6|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>}	110.3095	1.447	2	111.6323	6.297	3	111.5986	5.484	5	111.4017	5.541	7	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H)	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H){2|O<1>,3|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H){1|C<4>,1|H<1>,5|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>,5|C<3>,5|H<1>}	114.2780	0.000	1	111.6323	6.297	3	111.5986	5.484	5	111.4017	5.541	7	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5,5]HH)(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5,5]HH)(C[5]N[5]O){3|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|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>,2|C<4>,5|H<1>}	114.6455	0.668	2	114.6455	0.447	2	114.4950	0.291	3	114.4950	0.291	3	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]N[5]O){5|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|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<4>,2|H<1>,4|C<3>}	114.1940	0.000	1	114.1940	0.000	1	114.4950	0.291	3	114.4950	0.291	3	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-3:C[5,5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,5|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>}	111.6135	0.938	2	112.6740	1.668	6	112.6740	1.668	6	113.2432	4.834	13	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-3:C[5,5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C){1|C<4>,2|O<1>,4|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,5|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>}	112.0560	0.000	1	112.6740	1.668	6	112.6740	1.668	6	113.2432	4.834	13	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-3:C[5,5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C){1|O<1>,6|C<3>,6|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,5|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>}	113.0125	0.589	2	112.6740	1.668	6	112.6740	1.668	6	113.2432	4.834	13	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-3:C[5,5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C){2|O<1>,4|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|O<1>,6|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>}	114.7360	0.000	1	112.6740	1.668	6	112.6740	1.668	6	113.2432	4.834	13	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CC)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CC)(N[5]C[5]C){4|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<2>,1|H<1>,1|O<1>,5|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>}	118.2060	0.000	1	118.2060	0.000	1	113.7311	7.676	7	113.2432	4.834	13	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C){1|S<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH){1|O<1>,1|S<4>,2|H<1>,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|O<1>,2|H<1>,3|C<4>,4|C<3>}	112.9760	0.000	1	112.9760	0.000	1	113.7311	7.676	7	113.2432	4.834	13	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,2|H<1>,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|O<1>,2|H<1>,3|C<4>,4|C<3>}	110.8090	0.000	1	112.9872	5.674	5	113.7311	7.676	7	113.2432	4.834	13	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C){4|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|O<1>,2|H<1>,5|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>}	113.5318	2.364	4	112.9872	5.674	5	113.7311	7.676	7	113.2432	4.834	13	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6]2)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]2C[5,6])(C[5]C[5]HH)(CH3)	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6]2)(N[5]C[5]C){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	N[5](C[5,5]C[5,6a]2C[5,6])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){4|C<4>,5|C<3>}	114.0620	0.694	2	114.0620	0.482	2	114.0620	0.482	2	113.7765	8.325	6	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	108.9260	0.000	1	114.0273	19.520	3	113.6338	13.633	4	113.7765	8.325	6	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C){1|N<2>,4|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3){1|N<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	116.5780	0.064	2	114.0273	19.520	3	113.6338	13.633	4	113.7765	8.325	6	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CN)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CN)(N[5]C[5]C){1|N<2>,4|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|N<3>,3|C<4>,5|C<3>}	112.4530	0.000	1	112.4530	0.000	1	113.6338	13.633	4	113.7765	8.325	6	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6]2)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]2C[5,6])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6]2)(N[5]C[5]C){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	N[5](C[5,5]C[5,6a]2C[5,6])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<2>,5|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>}	109.0025	0.353	2	109.0025	0.125	2	109.0025	0.125	2	112.1803	10.597	6	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|N<2>,2|H<1>,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|C<3>,2|N<2>,3|C<4>,3|H<1>}	114.6070	0.000	1	112.6410	3.645	3	113.7692	7.522	4	112.1803	10.597	6	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C){1|N<2>,4|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3){1|N<2>,2|H<1>,5|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>}	111.6580	1.222	2	112.6410	3.645	3	113.7692	7.522	4	112.1803	10.597	6	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CN)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CN)(N[5]C[5]C){1|N<2>,4|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<2>,1|N<3>,5|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>}	117.1540	0.000	1	117.1540	0.000	1	113.7692	7.522	4	112.1803	10.597	6	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:1:	4:3:4:	3:4:3:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[6a]C[5])(H)	N[5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[6a]C[5])(H){2|O<2>,4|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|B<4>,4|C<3>,5|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>}	115.5490	0.000	1	115.5490	0.000	1	115.5490	0.000	1	115.5490	0.000	1	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:1:	4:3:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]H)(N[5]C[5,6a]S)(H){1|H<1>,1|S<4>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|N<3>,2|H<1>,4|C<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>}	112.3575	0.170	2	112.3575	0.029	2	112.3575	0.029	2	112.3575	0.029	2	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:1:	4:4:1:	3:4:3:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]CC)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	N[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]CC)(H){1|B<4>,2|C<3>,3|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>}	111.7140	0.000	1	111.7140	0.000	1	113.6020	2.901	3	113.6020	2.901	3	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:1:	4:4:1:	3:4:3:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H){2|C<3>,2|O<2>,5|H<1>}	N[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(H){1|B<4>,2|C<3>,3|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>}	114.5460	0.675	2	114.5460	0.455	2	113.6020	2.901	3	113.6020	2.901	3	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:1:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CC)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]C[5]H)(H){1|H<1>,1|S<4>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CC)(H){1|H<1>,1|N<3>,3|C<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>}	115.3300	2.792	2	115.3300	7.793	2	114.5542	3.786	4	114.5542	3.786	4	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:1:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H){3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H){1|C<4>,1|H<1>,4|C<3>}	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>}	113.7785	1.076	2	113.7785	1.157	2	114.5542	3.786	4	114.5542	3.786	4	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:1:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CC[6a]2H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	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>}	112.1070	0.816	2	112.1070	0.666	2	112.1070	0.666	2	112.4794	2.247	5	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:1:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,3|C<3>}	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>}	111.7000	0.000	1	111.7000	0.000	1	112.7277	3.930	3	112.4794	2.247	5	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:1:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(SCOO)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(SCOO){1|C<4>,1|H<1>,4|C<3>}	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>}	115.0130	0.000	1	115.0130	0.000	1	112.7277	3.930	3	112.4794	2.247	5	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:1:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(SC[6a]OO)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	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>}	111.4700	0.000	1	111.4700	0.000	1	112.7277	3.930	3	112.4794	2.247	5	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:2:	4:4:1:	4:3:3:	C[5,6a]-3:C[3,5]-4:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]O[3]C)(N[5]C[5]H)(O[5]C[5])	N[5](C[5,5]C[5,6a]C[3,5]O[5])(C[5]C[5]CC)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]O[3]C)(N[5]C[5]H)(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,5]C[5,6a]C[3,5]O[5])(C[5]C[5]CC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	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>}	116.0220	0.000	1	116.0220	0.000	1	116.0220	0.000	1	116.0220	0.000	1	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|S<1>,1|S<4>,2|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]S)(H){1|C<4>,1|N<3>,1|O<1>,1|S<4>,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|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	113.6680	0.000	1	113.6680	0.000	1	113.6680	0.000	1	112.9430	1.051	2	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]N[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]N[5]H){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	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>}	112.2180	0.000	1	112.2180	0.000	1	112.2180	0.000	1	112.9430	1.051	2	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:N-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(N[5]C[5,6a]H)(NHS)	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(N[5]C[5,6a]H)(NHS){1|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]N)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<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>}	115.5040	0.000	1	115.5040	0.000	1	115.5040	0.000	1	115.5040	0.000	1	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:1:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]C[5]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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]H){1|N<3>,1|O<1>,5|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,7|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>}	112.1390	0.000	1	112.1390	0.000	1	112.1390	0.000	1	113.8901	2.117	12	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H){3|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,7|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>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	114.9900	0.000	1	114.9900	0.000	1	113.8247	1.600	10	113.8901	2.117	12	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,4|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>,2|C<4>,5|H<1>}	114.0655	1.630	2	113.9207	1.030	4	113.8247	1.600	10	113.8901	2.117	12	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,4|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>,4|H<1>}	114.1950	0.000	1	113.9207	1.030	4	113.8247	1.600	10	113.8901	2.117	12	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){4|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,4|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>,2|C<4>,5|H<1>}	113.3570	0.000	1	113.9207	1.030	4	113.8247	1.600	10	113.8901	2.117	12	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H){1|N<3>,1|O<1>,3|H<1>,5|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>,4|H<1>}	112.6950	0.000	1	112.2645	0.371	2	113.8247	1.600	10	113.8901	2.117	12	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,6|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>,4|H<1>}	111.8340	0.000	1	112.2645	0.371	2	113.8247	1.600	10	113.8901	2.117	12	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H){1|O<1>,2|H<1>,2|N<3>,5|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>,4|H<1>}	114.7510	0.000	1	114.3483	1.925	3	113.8247	1.600	10	113.8901	2.117	12	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,3|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,6|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>,4|H<1>}	114.1470	1.899	2	114.3483	1.925	3	113.8247	1.600	10	113.8901	2.117	12	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[5,5]H)(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5]2)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[5,5]H)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)2(H){2|N<3>,2|O<1>,3|H<1>,5|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>,4|H<1>}	116.2950	0.000	1	116.2950	0.000	1	116.2950	0.000	1	113.8901	2.117	12	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]N[3,5]C[3]C)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]N[3,5]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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]N[3,5]C[3]C)(C[5]N[5]O)(N[5]C[5]H){4|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]N[3,5]C[6a]H)(H){1|N<3>,1|O<1>,2|C<4>,4|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|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	113.2200	0.000	1	113.2200	0.000	1	113.2200	0.000	1	113.2670	1.218	4	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|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|C<3>,3|H<1>,4|C<4>}	114.7820	0.000	1	114.7820	0.000	1	113.8445	1.758	2	113.2670	1.218	4	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]H){1|O<1>,6|C<3>,6|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|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|C<3>,3|C<4>,4|H<1>}	112.9070	0.000	1	112.9070	0.000	1	113.8445	1.758	2	113.2670	1.218	4	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]C[5]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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,5|C<3>,6|H<1>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|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|F<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	112.1590	0.000	1	112.1590	0.000	1	112.1590	0.000	1	113.2670	1.218	4	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6]C[5]N[5])(C[5]C[5,6a]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,6]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6]C[5]N[5])(C[5]C[5,6a]O)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,6]HH)(CH3){1|N<2>,1|O<1>,2|C<4>,4|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>}	113.2290	0.000	1	113.2290	0.000	1	112.9267	2.808	6	113.8950	7.009	55	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|O<1>,6|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>}	112.9190	2.151	4	112.9190	4.625	4	112.9267	2.808	6	113.8950	7.009	55	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5]2N[5])(C[5]C[5,6a]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5]2N[5])(C[5]C[5,6a]O)(N[5]C[5]C){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<2>,1|O<1>,5|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>}	112.6550	0.000	1	112.6550	0.000	1	112.9267	2.808	6	113.8950	7.009	55	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,5|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>}	112.2170	2.806	6	111.9127	4.185	11	111.9127	4.185	11	113.8950	7.009	55	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|N<3>,1|O<1>,5|C<3>,6|H<1>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,5|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>}	111.2963	0.452	3	111.9127	4.185	11	111.9127	4.185	11	113.8950	7.009	55	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|O<1>,1|O<2>,5|C<3>,6|H<1>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,5|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>}	111.9245	0.619	2	111.9127	4.185	11	111.9127	4.185	11	113.8950	7.009	55	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrN)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrN)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|Br<1>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,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|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	118.2585	0.927	2	118.2585	0.859	2	114.6778	7.145	36	113.8950	7.009	55	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>,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<3>,2|H<1>,5|C<4>}	116.7940	0.000	1	114.1647	7.452	16	114.6778	7.145	36	113.8950	7.009	55	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<2>,1|H<1>,1|N<3>,1|O<1>,4|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<2>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	113.7140	0.000	1	114.1647	7.452	16	114.6778	7.145	36	113.8950	7.009	55	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|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>,2|H<1>,5|C<4>}	112.4130	0.000	1	114.1647	7.452	16	114.6778	7.145	36	113.8950	7.009	55	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){2|C<3>,6|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	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>}	113.0160	0.000	1	114.1647	7.452	16	114.6778	7.145	36	113.8950	7.009	55	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){2|C<3>,6|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>,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<3>,3|H<1>,4|C<4>}	114.0910	3.125	3	114.1647	7.452	16	114.6778	7.145	36	113.8950	7.009	55	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<2>,1|H<1>,1|N<3>,1|O<1>,4|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<2>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	115.3315	2.058	2	114.1647	7.452	16	114.6778	7.145	36	113.8950	7.009	55	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|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|H<1>,4|C<4>}	113.9660	3.500	7	114.1647	7.452	16	114.6778	7.145	36	113.8950	7.009	55	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>,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<3>,3|C<4>,4|H<1>}	111.9950	0.000	1	114.9661	5.129	12	114.6778	7.145	36	113.8950	7.009	55	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,2|H<1>,4|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|H<1>,4|C<4>}	117.2570	0.000	1	114.9661	5.129	12	114.6778	7.145	36	113.8950	7.009	55	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){1|S<4>,2|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,1|S<4>,2|H<1>,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<3>,3|C<4>,4|H<1>}	116.0470	0.000	1	114.9661	5.129	12	114.6778	7.145	36	113.8950	7.009	55	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>,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<3>,3|H<1>,4|C<4>}	115.7980	0.000	1	114.9661	5.129	12	114.6778	7.145	36	113.8950	7.009	55	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){2|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	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>}	116.3020	0.000	1	114.9661	5.129	12	114.6778	7.145	36	113.8950	7.009	55	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,2|H<1>,4|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>,3|C<4>,3|H<1>}	112.8630	0.000	1	114.9661	5.129	12	114.6778	7.145	36	113.8950	7.009	55	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,2|H<1>,4|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>,4|H<1>}	114.8885	2.617	6	114.9661	5.129	12	114.6778	7.145	36	113.8950	7.009	55	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<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<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	113.1788	2.205	4	113.1788	4.863	4	114.6778	7.145	36	113.8950	7.009	55	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|O<1>,2|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<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	116.4695	4.491	2	116.4695	20.168	2	114.6778	7.145	36	113.8950	7.009	55	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,5]-4:C[5,5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[5,5]C)(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[5,5]C)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CC[6a]HH){2|H<1>,2|N<3>,2|O<1>,5|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<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	113.6135	1.193	2	113.6135	1.423	2	113.6135	1.423	2	113.8950	7.009	55	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<2>,4|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,5|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>,4|C<4>}	114.4820	0.000	1	115.7683	1.338	3	114.3940	2.190	49	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){1|N<2>,1|N<3>,5|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,5|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>,3|C<3>,3|C<4>,3|H<1>}	116.7230	0.000	1	115.7683	1.338	3	114.3940	2.190	49	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){5|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,5|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>,3|C<3>,3|C<4>,3|H<1>}	116.1000	0.000	1	115.7683	1.338	3	114.3940	2.190	49	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<2>,4|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,2|C<2>,4|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>,3|C<3>,3|C<4>,3|H<1>}	113.9660	0.000	1	114.5576	2.397	11	114.3940	2.190	49	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,5|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>,3|C<3>,3|C<4>,3|H<1>}	115.0110	1.571	8	114.5576	2.397	11	114.3940	2.190	49	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,5|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){2|Br<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	113.0400	0.318	2	114.5576	2.397	11	114.3940	2.190	49	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|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|S<2>,2|C<3>,4|C<4>}	114.9230	0.359	2	114.1848	2.154	29	114.3940	2.190	49	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|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>,1|S<2>,2|C<3>,2|H<1>,4|C<4>}	113.8895	1.363	2	114.1848	2.154	29	114.3940	2.190	49	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|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>,1|S<2>,2|C<3>,2|H<1>,4|C<4>}	116.5100	0.000	1	114.1848	2.154	29	114.3940	2.190	49	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|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|H<1>,1|O<1>,1|S<2>,2|C<3>,5|C<4>}	115.8005	0.831	2	114.1848	2.154	29	114.3940	2.190	49	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|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>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	113.5724	1.291	18	114.1848	2.154	29	114.3940	2.190	49	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|O<1>,5|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|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|Cl<1>,1|O<1>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	113.3380	0.000	1	114.1848	2.154	29	114.3940	2.190	49	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|O<1>,5|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|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>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	115.9940	0.224	3	114.1848	2.154	29	114.3940	2.190	49	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|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|C<3>,2|H<1>,5|C<4>}	114.6230	0.000	1	114.4178	2.189	6	114.3940	2.190	49	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|O<1>,4|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,5|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>,4|C<4>}	114.8830	0.000	1	114.4178	2.189	6	114.3940	2.190	49	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C){1|O<1>,2|C<4>,3|C<3>,7|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|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|C<3>,3|H<1>,4|C<4>}	112.0080	0.000	1	114.4178	2.189	6	114.3940	2.190	49	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C){2|O<1>,5|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,5|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>,3|C<3>,3|C<4>,3|H<1>}	114.9977	1.391	3	114.4178	2.189	6	114.3940	2.190	49	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|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>}	109.7320	0.000	1	111.6232	3.178	29	111.7948	3.437	31	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,3|C<3>,7|H<1>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|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>,3|H<1>,4|C<4>}	111.0827	2.275	3	111.6232	3.178	29	111.7948	3.437	31	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,7|H<1>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|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>,3|H<1>,4|C<4>}	112.3903	2.845	6	111.6232	3.178	29	111.7948	3.437	31	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,7|H<1>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|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|Cl<1>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	110.6803	0.610	4	111.6232	3.178	29	111.7948	3.437	31	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,7|H<1>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|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|F<1>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	110.6730	0.000	1	111.6232	3.178	29	111.7948	3.437	31	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,7|H<1>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|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>,5|C<4>}	110.9785	0.028	2	111.6232	3.178	29	111.7948	3.437	31	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,7|H<1>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|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>,3|H<1>,4|C<4>}	112.0583	2.504	4	111.6232	3.178	29	111.7948	3.437	31	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|O<1>,1|O<2>,4|C<3>,7|H<1>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|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>,3|H<1>,4|C<4>}	112.1724	0.640	5	111.6232	3.178	29	111.7948	3.437	31	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|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>,5|C<4>}	111.7683	0.709	3	111.6232	3.178	29	111.7948	3.437	31	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){6|C<3>,6|H<1>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,2|H<1>,4|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>,3|C<3>,3|C<4>,3|H<1>}	114.2830	0.938	2	114.2830	0.879	2	111.7948	3.437	31	113.3868	4.260	80	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:4:	4:3:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(N[5]C[5,6a]H)(CH3)	N[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5]C[5,5]N[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(N[5]C[5,6a]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	115.0157	1.202	3	115.0157	1.446	3	115.0157	1.446	3	115.0157	1.446	3	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:4:3:	4:3:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CC3)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CC3){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	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>}	119.0070	0.000	1	119.0070	0.000	1	119.0070	0.000	1	119.0070	0.000	1	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:4:3:	4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]P)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H){1|P<3>,2|C<3>,6|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,6|H<1>}	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>}	111.8400	2.806	2	111.8400	7.873	2	111.8400	7.873	2	111.8400	7.873	2	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:4:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:S-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(N[5]C[5]S)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(N[5]C[5]S){3|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(SC[6a]OO){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	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>}	117.8480	0.000	1	117.8480	0.000	1	115.8293	3.257	3	115.8293	3.257	3	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:4:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-4:S-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HO)(N[5]C[5]S)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HO)(N[5]C[5]S){3|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(SC[6a]OO){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	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>}	114.8200	0.634	2	114.8200	0.401	2	115.8293	3.257	3	115.8293	3.257	3	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	4:3:3:1:	4:3:4:	3:4:3:	C[3x5]-4:C[5,6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:S-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(H)	N[5](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]N[5]H)(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]S)(H){1|O<2>,4|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	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>}	113.6480	0.000	1	113.6480	0.000	1	113.6480	0.000	1	113.6480	0.000	1	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	4:3:3:3:	4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]S)(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)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]S)(H){1|N<3>,1|O<1>,5|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|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	117.1660	0.000	1	117.1660	0.000	1	118.7200	4.830	2	116.3235	9.635	4	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	4:3:3:3:	4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]S)(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)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]S)(H){1|N<3>,1|O<1>,4|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|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	120.2740	0.000	1	120.2740	0.000	1	118.7200	4.830	2	116.3235	9.635	4	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	4:3:3:3:	4:3:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:N[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]2)	N[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]O)	C[5,5](C[5,5]C[5,6a]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]2){1|O<2>,3|H<1>,8|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[5,5]C[5,5]C[6a]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]O){4|H<1>,6|C<3>}	113.9270	1.049	2	113.9270	1.101	2	113.9270	1.101	2	116.3235	9.635	4	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	4:3:3:3:	4:4:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]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)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(H){1|N<2>,1|N<3>,1|O<1>,6|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|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	112.5600	0.000	1	112.5600	0.000	1	113.6600	2.420	2	113.6600	2.420	2	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	4:3:3:3:	4:4:1:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]CH)(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)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]CH)(H){1|N<3>,1|O<1>,4|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>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	114.7600	0.000	1	114.7600	0.000	1	113.6600	2.420	2	113.6600	2.420	2	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	4:3:3:3:	4:4:4:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]HH)(CH3)	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)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]HH)(CH3){1|C<4>,1|H<1>,1|O<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|O<1>,2|C<3>,3|C<4>,4|H<1>}	113.4320	0.000	1	113.4320	0.000	1	113.4320	0.000	1	113.4320	0.000	1	113.7731	5.841	253	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,6,6]	N[5,6]	C[5a,6]	3:4:3:1:	4:4:4:	4:3:3:	C[5a,6]-3:C[5,6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5a,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(H){10|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6]){2|C<3>,4|H<1>,5|C<4>}	114.3250	0.000	1	114.3250	0.000	1	114.3250	0.000	1	114.3250	0.000	1	114.3250	0.000	1	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]C[6]N[5])	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]C[6]N[5]){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	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>}	117.0650	0.000	1	117.0650	0.000	1	117.1215	0.006	2	117.1215	0.006	2	113.5070	5.754	24	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]N[5]C)	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,6]C[5]O[6]H)(H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6]N[5])(C[5]N[5]C){1|C<4>,1|O<2>,3|C<3>,3|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>}	117.1780	0.000	1	117.1780	0.000	1	117.1215	0.006	2	117.1215	0.006	2	113.5070	5.754	24	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	3:3:4:1:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH)	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	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>}	115.9938	0.802	5	115.9938	0.644	5	115.9938	0.644	5	115.9938	0.644	5	113.5070	5.754	24	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	3:4:3:1:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]H)(N[5,6]C[5,6]2)(H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]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)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]H)(N[5,6]C[5,6]2)(H){2|C<4>,4|C<3>,5|H<1>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H){1|O<1>,1|O<2>,3|C<4>,3|H<1>,4|C<3>}	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>}	115.2500	0.000	1	115.2500	0.000	1	115.2500	0.000	1	115.2500	0.000	1	113.5070	5.754	24	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	4:3:3:3:	4:3:4:	4:3:3:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:N[5,6]-3:C[5]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[5])(C[5]N[5]O)	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,5]C[6])(C[5]C[5]CH)	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)	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,3|C<4>,3|H<1>,6|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,5]C[6])(C[5]C[5]CH){1|O<1>,1|S<1>,2|H<1>,2|N<3>,6|C<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>}	109.4010	0.000	1	109.4010	0.000	1	109.4010	0.000	1	109.4010	0.000	1	113.5070	5.754	24	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	4:3:3:3:	4:4:4:	3:4:3:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]O)	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	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)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]O){1|O<1>,4|C<4>,4|H<1>,6|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|C<3>,5|H<1>}	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>}	112.0800	0.957	4	112.0800	0.916	4	112.0800	0.916	4	112.0800	0.916	4	113.5070	5.754	24	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	4:3:3:3:	4:4:4:	4:3:3:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O)	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	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)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,4|C<3>,4|C<4>,5|H<1>}	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|N<3>,4|C<3>,5|H<1>}	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>}	112.8018	2.003	6	112.4533	2.970	11	112.4533	2.970	11	112.4533	2.970	11	113.5070	5.754	24	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	4:3:3:3:	4:4:4:	4:3:3:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O)	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	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)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>,5|C<4>}	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|N<3>,4|C<3>,5|H<1>}	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>}	112.5815	0.753	2	112.4533	2.970	11	112.4533	2.970	11	112.4533	2.970	11	113.5070	5.754	24	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	4:3:3:3:	4:4:4:	4:3:3:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O)	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	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)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>,5|C<4>}	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|N<3>,4|C<3>,5|H<1>}	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>}	112.6445	0.883	2	112.4533	2.970	11	112.4533	2.970	11	112.4533	2.970	11	113.5070	5.754	24	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	4:3:3:3:	4:4:4:	4:3:3:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O)	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	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)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>,5|C<4>}	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|N<3>,4|C<3>,5|H<1>}	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>}	109.7230	0.000	1	112.4533	2.970	11	112.4533	2.970	11	112.4533	2.970	11	113.5070	5.754	24	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5a]	3:3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[5a]-3:N[5,6]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5a,6a]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[5,6a]C[5a,6]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5a](C[5,6]C[5,6a]C[5a,6]N[5,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6]){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	N[5,6](C[5,6]C[5,6a]C[5a,6]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5,6]C[5,6a]C[5a,6]N[5,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	111.7550	0.000	1	111.7550	0.000	1	111.7550	0.000	1	111.7550	0.000	1	111.7550	0.000	1	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,6]	N[5]	C[5a,6]	3:3:3:1:	4:3:4:	4:3:3:	C[5a,6]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:S-4:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H)	N[5](C[5,6]C[5a,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO)	C[5a,6](C[5,6]N[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H){1|C<4>,1|H<1>,5|C<3>}	N[5](C[5,6]C[5a,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5,6]N[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|S<4>,3|C<3>,4|H<1>}	109.5160	0.000	1	109.5160	0.000	1	109.5160	0.000	1	109.5160	0.000	1	110.0618	6.608	6	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,6]	N[5]	C[5a,6]	3:4:3:1:	4:3:4:	3:4:3:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]N[6]C)(N[5]C[5,6a]C)(H)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]N[5]H)(C[5a]C[5a,6a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]N[6]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<2>,5|C<3>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]N[5]H)(C[5a]C[5a,6a]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	112.8980	0.000	1	112.8980	0.000	1	112.8980	0.000	1	112.8980	0.000	1	110.0618	6.608	6	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,6]	N[5]	C[5a,6]	3:4:3:1:	4:4:4:	3:4:3:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]HH)(SC[6a]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H){2|C<3>,2|C<4>,3|H<1>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]C){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	107.4520	0.000	1	107.4520	0.000	1	107.4520	0.000	1	107.1080	0.237	2	110.0618	6.608	6	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,6]	N[5]	C[5a,6]	3:4:3:1:	4:4:4:	3:4:3:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5a,6a]-3:C[5,6]-4:C[5a,6]-3:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]HH)(SC[6a]OO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[5a,6]S[5a]C[6])	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[5a,6]S[5a]C[6]){1|S<4>,2|C<3>,2|C<4>,5|H<1>}	106.7640	0.000	1	106.7640	0.000	1	106.7640	0.000	1	107.1080	0.237	2	110.0618	6.608	6	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,6]	N[5]	C[5a,6]	4:3:3:1:	4:3:4:	3:4:3:	C[5,6]-4:C[5a,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H){1|C<4>,1|H<1>,5|C<3>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[5,6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]H){2|C<4>,6|C<3>}	111.3870	0.000	1	111.3870	0.000	1	111.8705	0.468	2	111.8705	0.468	2	110.0618	6.608	6	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5,6]	N[5]	C[5a,6]	4:3:3:1:	4:3:4:	3:4:3:	C[5,6]-4:C[5a,6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H)	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]H)	C[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H){1|H<1>,6|C<3>}	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]N[5]H)(N[5a]C[5a,6a]H){2|C<4>,6|C<3>}	112.3540	0.000	1	112.3540	0.000	1	111.8705	0.468	2	111.8705	0.468	2	110.0618	6.608	6	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5,5]	C[5a]	3:3:4:1:	4:4:4:	4:3:3:	N[5,5]-3:C[5a]-3:C[5]-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](N[5,5]C[5,5,6]C[5])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5a]C[5]H)(C[5]C[5]CH)	C[5a](C[5]N[5,5]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5](N[5,5]C[5,5,6]C[5])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5a]C[5]H)(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5a](C[5]N[5,5]C[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C){3|C<4>,4|H<1>}	113.1270	0.000	1	113.1270	0.000	1	113.1270	0.000	1	113.1270	0.000	1	113.1285	14.920	6	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5,5]	C[5a]	4:3:3:1:	4:4:4:	4:3:2:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	C[5]-4:C[5]-4:C[5,5]-4:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]O[5a])(H)	N[5,5](C[5]C[5,5]C[5a]H)2(C[5,5]C[5,5]2C)	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]O[5a])(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	N[5,5](C[5]C[5,5]C[5a]H)2(C[5,5]C[5,5]2C){2|O<2>,4|H<1>,6|C<3>}	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	114.9865	6.365	2	114.9865	40.509	2	114.9865	40.509	2	114.6273	20.642	3	113.1285	14.920	6	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5,5]	C[5a]	4:3:3:1:	4:4:4:	4:3:2:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	C[5]-4:C[5]-4:C[5,5]-4:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(H)	N[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]C[6a]H)(C[5,5]C[5,5]2C)	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	N[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]C[6a]H)(C[5,5]C[5,5]2C){1|S<2>,4|H<1>,7|C<3>}	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	113.9090	0.000	1	113.9090	0.000	1	113.9090	0.000	1	114.6273	20.642	3	113.1285	14.920	6	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5,5]	C[5a]	4:3:3:1:	4:4:4:	4:3:3:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	C[5]-4:C[5]-4:C[5,5]-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]2)(H)	N[5,5](C[5]C[5,5]C[5a]H)2(C[5,5]C[5,5]2C)	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]2)(H){1|N<2>,1|O<1>,2|C<4>,2|N<3>,3|H<1>,4|C<3>}	N[5,5](C[5]C[5,5]C[5a]H)2(C[5,5]C[5,5]2C){4|H<1>,8|C<3>}	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,3|C<4>,4|C<3>}	110.8810	4.059	2	110.8810	16.474	2	110.8810	16.474	2	110.8810	16.474	2	113.1285	14.920	6	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5,6]	C[5a]	3:3:4:1:	3:4:2:	4:3:2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	108.5785	2.169	2	109.8740	4.005	4	109.8740	4.005	4	110.2268	3.067	11	110.2268	3.067	11	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5,6]	C[5a]	3:3:4:1:	3:4:2:	4:3:2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]O[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.1695	0.773	2	109.8740	4.005	4	109.8740	4.005	4	110.2268	3.067	11	110.2268	3.067	11	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5,6]	C[5a]	3:3:4:1:	3:4:2:	4:3:2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]C)(S[5a]C[5a])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	111.1480	0.204	2	111.1480	0.041	2	110.4284	2.979	7	110.2268	3.067	11	110.2268	3.067	11	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5,6]	C[5a]	3:3:4:1:	3:4:2:	4:3:2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	108.4490	1.123	2	108.4490	1.261	2	110.4284	2.979	7	110.2268	3.067	11	110.2268	3.067	11	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5,6]	C[5a]	3:3:4:1:	3:4:2:	4:3:2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]C)(S[5a]C[5a])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	113.0040	0.000	1	113.0040	0.000	1	110.4284	2.979	7	110.2268	3.067	11	110.2268	3.067	11	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5,6]	C[5a]	3:3:4:1:	3:4:2:	4:3:2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	111.1310	0.000	1	110.4005	1.067	2	110.4284	2.979	7	110.2268	3.067	11	110.2268	3.067	11	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5,6]	C[5a]	3:3:4:1:	3:4:2:	4:3:2:	N[5,6]-3:C[5a]-3:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:O[5,6]-2:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H)	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6])	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](N[5,6]C[6,6a]O[5,6])(C[5a]C[5a]S[5a])(C[5]C[5,6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5]C[5a]C[5]H)(O[5,6]C[5,6]){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	109.6700	0.000	1	110.4005	1.067	2	110.4284	2.979	7	110.2268	3.067	11	110.2268	3.067	11	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:4:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(H){2|C<4>,5|C<3>,5|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	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>}	113.7200	4.713	4	113.7200	22.213	4	113.7200	22.213	4	113.7200	22.213	4	111.8802	14.196	12	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:3:3:	4:4:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-3:N-3:	C[5]-4:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(NC[6a]C)	N[5](C[5]C[5,6a]C[5]N)(C[5]C[5]HH)(N[5]C[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(NC[6a]C){3|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[5,6a]C[5]N)(C[5]C[5]HH)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	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>}	107.9650	0.000	1	107.9650	0.000	1	107.9650	0.000	1	107.9650	0.000	1	111.8802	14.196	12	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[5]C[5]2)	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH)	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)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[5]C[5]2){2|C<4>,7|C<3>,7|H<1>}	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|C<2>,1|C<4>,1|H<1>,1|O<2>,6|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>}	109.9125	2.524	2	110.4903	5.020	6	110.4903	5.020	6	110.4903	5.020	6	111.8802	14.196	12	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[5]C[5]2)	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH)	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)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[5]C[5]2){2|C<4>,7|C<3>,7|H<1>}	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,1|H<1>,1|N<2>,7|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>}	110.5155	2.276	2	110.4903	5.020	6	110.4903	5.020	6	110.4903	5.020	6	111.8802	14.196	12	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[5]C[5]2)	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH)	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)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[5]C[5]2){2|C<4>,7|C<3>,7|H<1>}	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|F<1>,1|O<2>,2|H<1>,6|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>}	111.0430	3.503	2	110.4903	5.020	6	110.4903	5.020	6	110.4903	5.020	6	111.8802	14.196	12	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:3:4:	4:4:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-3:C-4:	C[5]-4:C[5]-4:N[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(CCFF)	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(N[5]C[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(CCFF){1|C<4>,3|C<3>,5|H<1>}	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	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>}	116.7750	0.000	1	116.7750	0.000	1	116.7750	0.000	1	116.7750	0.000	1	111.8802	14.196	12	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:3:2:1:	4:4:4:	3:4:3:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:S-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[5]S)(O[5]C[5])(H)	N[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5]O[5]H)(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[5]S)(O[5]C[5])(H){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]N[5]O[5]H)(C[5a]N[5a]H){1|Si<4>,1|H<1>,1|S<4>,2|C<3>,2|C<4>}	110.0030	0.000	1	110.0030	0.000	1	110.0030	0.000	1	110.0030	0.000	1	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:3:2:1:	4:4:4:	4:2:2:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5a]-2:S[5a]-2:	C[5](C[5a]N[5a]S[5a])(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3)	C[5a](C[5]N[5]O[5]H)(N[5a]C[5a])(S[5a]C[5a])	C[5](C[5a]N[5a]S[5a])(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5]N[5]O[5]H)(N[5a]C[5a])(S[5a]C[5a]){2|H<1>,3|C<4>}	113.4310	0.000	1	113.4310	0.000	1	113.4310	0.000	1	113.4310	0.000	1	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:3:2:1:	4:4:4:	4:3:2:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5a]-3:N[5a]-2:	C[5](C[5a]N[5a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3)	C[5a](C[5]N[5]O[5]H)(N[5a]C[5a]H)(N[5a]C[5a])	C[5](C[5a]N[5a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5]N[5]O[5]H)(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<4>}	112.9958	0.793	4	112.9958	0.629	4	112.9958	0.629	4	112.9958	0.629	4	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:3:2:1:	4:4:4:	4:3:3:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3)	C[5a](C[5]N[5]O[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5]N[5]O[5]H)(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>,3|C<4>}	114.7985	0.257	2	114.7985	0.066	2	114.7985	0.066	2	114.7985	0.066	2	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:3:2:4:	4:3:4:	4:3:2:	C[5a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(O[5]C[5])(CCl3)	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5a](C[5]N[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(O[5]C[5])(CCl3){1|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH){1|S<2>,3|C<3>,4|H<1>}	C[5a](C[5]N[5]O[5]C)(C[5a]C[5a]H)(S[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	111.6780	0.000	1	111.6780	0.000	1	111.6780	0.000	1	111.6780	0.000	1	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:3:3:1:	4:4:1:	3:4:2:	C[5a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5a]-3:C[5]-4:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(N[5]C[5]H)(H)	N[5](C[5]C[5a]N[5]H)(C[5]C[5]CH)(H)	C[5a](C[5a]C[5a]H)(C[5]N[5]2H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(N[5]C[5]H)(H){3|H<1>,6|C<3>}	N[5](C[5]C[5a]N[5]H)(C[5]C[5]CH)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[5]N[5]2H)(S[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	110.4220	0.000	1	110.4220	0.000	1	110.4220	0.000	1	110.4220	0.000	1	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:3:3:1:	4:4:2:	3:4:2:	C[5a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:	C[5a]-3:C[5]-4:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(N[5]C[5]O)2(H)	N[5](C[5]C[5a]N[5]H)(C[5]C[5]CC)(OSi)	C[5a](C[5a]C[5a]H)(C[5]N[5]2H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(N[5]C[5]O)2(H){1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[5a]N[5]H)(C[5]C[5]CC)(OSi){1|C<3>,1|O<2>,1|S<2>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[5]N[5]2H)(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<4>,2|O<2>}	115.0010	3.455	2	115.0010	11.936	2	115.0010	11.936	2	115.0010	11.936	2	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:3:3:1:	4:4:2:	4:2:2:	C[5a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:	C[5]-4:N[5a]-2:S[5a]-2:	C[5](C[5a]N[5a]S[5a])(N[5]C[5]O)2(H)	N[5](C[5]C[5a]N[5]H)(C[5]C[5]CC)(OH)	C[5a](C[5]N[5]2H)(N[5a]C[5a])(S[5a]C[5a])	C[5](C[5a]N[5a]S[5a])(N[5]C[5]O)2(H){2|C<3>,4|C<4>}	N[5](C[5]C[5a]N[5]H)(C[5]C[5]CC)(OH){1|N<2>,1|O<2>,1|S<2>,2|C<4>}	C[5a](C[5]N[5]2H)(N[5a]C[5a])(S[5a]C[5a]){2|C<4>,2|H<1>,2|O<2>}	111.1965	0.176	2	111.1965	0.031	2	111.1965	0.031	2	111.1965	0.031	2	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:3:3:1:	4:4:3:	3:4:2:	C[5a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5a]-3:C[5]-4:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(N[5]C[5]H)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5a]N[5]H)(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(C[5]N[5]2H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(N[5]C[5]H)(H){3|H<1>,6|C<3>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5a]N[5]H)(C[6a]C[6a]2){2|S<2>,4|H<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(C[5]N[5]2H)(S[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:3:3:1:	4:4:4:	3:4:2:	C[5a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5a]-3:C[5]-4:N[5a]-2:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)2(H)	N[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CCHH)	C[5a](C[5a]N[5a]H)(C[5]N[5]2H)(N[5a]N[5a])	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)2(H){1|N<2>,1|N<3>,5|H<1>}	N[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CCHH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a](C[5a]N[5a]H)(C[5]N[5]2H)(N[5a]N[5a]){1|C<3>,4|C<4>}	112.0210	0.192	2	112.0210	0.037	2	112.0210	0.037	2	112.0210	0.037	2	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:3:3:2:	3:4:1:	4:2:2:	C[5a]-3:C[5a]-3:N[5]-3:S[5]-2:	C[5,6a]-3:C[5]-4:H-1:	C[5]-4:N[5a]-2:S[5a]-2:	C[5](C[5a]N[5a]S[5a])2(N[5]C[5,6a]H)(S[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2S[5])(H)	C[5a](C[5]C[5a]N[5]S[5])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5](C[5a]N[5a]S[5a])2(N[5]C[5,6a]H)(S[5]C[5,6a]){6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]2S[5])(H){1|H<1>,2|C<3>,2|N<2>,2|S<2>}	C[5a](C[5]C[5a]N[5]S[5])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	111.2250	0.939	2	111.2250	0.882	2	111.2250	0.882	2	111.2250	0.882	2	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:3:3:3:	3:4:1:	3:4:3:	C[5a]-3:C[5]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(COO)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(COO){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]C)(C[5a]N[5a]H){1|O<1>,3|H<1>,4|C<3>}	113.5440	0.000	1	113.5440	0.000	1	113.5440	0.000	1	113.5440	0.000	1	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:3:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5a]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[5]H)(CNO)	N[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[5]H)(CNO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[5a]N[5a]H){3|H<1>,5|C<3>}	111.6850	0.000	1	111.6850	0.000	1	111.6850	0.000	1	111.6850	0.000	1	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:3:3:3:	4:4:1:	3:4:3:	C[5,6a]-3:C[5a]-3:N[5]-3:C-3:	C[5]-4:S[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]S[5]H)(COO)	N[5](C[5]C[5,6a]C[5a]C)(S[5]C[5,6a]OO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]S[5]H)(COO){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5a]C)(S[5]C[5,6a]OO)(H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[5a]N[5a]H){1|S<4>,3|H<1>,4|C<3>}	111.0840	0.277	2	111.0840	0.077	2	111.0840	0.077	2	110.6890	0.506	3	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:3:3:3:	4:4:1:	3:4:3:	C[5a]-3:C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:S[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)(N[5]S[5]H)	N[5](C[5]C[5a]C[6a]C[5])(S[5]N[5]OO)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)(N[5]S[5]H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5a]C[6a]C[5])(S[5]N[5]OO)(H){1|C<4>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[6a]C[5]N[5])(C[5a]N[5a]H){1|N<3>,1|O<1>,1|S<4>,3|H<1>,4|C<3>}	109.8990	0.000	1	109.8990	0.000	1	109.8990	0.000	1	110.6890	0.506	3	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:3:3:4:	3:4:1:	3:3:4:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-4:H-1:	C[5a]-3:N[5a]-3:C[5]-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a]H)(CCHH)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a]H)(CCHH){1|C<4>,1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]C)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]C){1|H<1>,1|N<2>,4|C<3>}	110.7630	0.000	1	110.7630	0.000	1	110.7630	0.000	1	110.7630	0.000	1	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:3:4:1:	4:3:2:	3:4:3:	N[5]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5a]-3:C[5]-4:C[5a]-3:	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HH)(H){1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<2>,4|C<3>,5|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	111.0160	0.000	1	111.0160	0.000	1	113.4300	11.655	2	113.4300	11.655	2	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:3:4:1:	4:3:2:	3:4:3:	N[5]-3:C[5a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5a]-3:C[5]-4:C[5a]-3:	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HN)(H)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	C[5](N[5]C[6a]O[5])(C[5a]C[5a]2)(C[5]C[5]HN)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,4|H<1>,5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	115.8440	0.000	1	115.8440	0.000	1	113.4300	11.655	2	113.4300	11.655	2	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:3:4:1:	4:3:2:	4:3:2:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5])	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]N[5])(C[5]C[5]HH)(H){1|H<1>,5|C<3>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]){1|S<2>,4|C<3>,4|H<1>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,4|H<1>}	112.4870	0.000	1	112.4870	0.000	1	112.4870	0.000	1	112.4870	0.000	1	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:3:4:1:	4:3:4:	3:4:3:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C)	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C){2|C<4>,3|C<3>,4|H<1>}	113.6200	0.000	1	113.6200	0.000	1	113.6200	0.000	1	113.6200	0.000	1	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:3:4:1:	4:4:1:	4:3:2:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:N[5a]-3:N[5a]-2:	C[5](C[5a]N[5a]2)(N[5]C[5,5]H)(C[5]S[5]HH)(H)	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5]C[5a]C[5]H)(H)	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	C[5](C[5a]N[5a]2)(N[5]C[5,5]H)(C[5]S[5]HH)(H){1|C<4>,2|C<3>,2|N<2>}	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5]C[5a]C[5]H)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|S<2>,3|H<1>}	110.2750	0.000	1	110.2750	0.000	1	110.2750	0.000	1	110.2750	0.000	1	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:3:4:1:	4:4:3:	4:3:2:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]N[5]CH)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5a]N[5]H)(C[6a]C[6a]2)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]N[5]CH)(H){3|H<1>,5|C<3>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5a]N[5]H)(C[6a]C[6a]2){2|S<2>,4|H<1>,5|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	113.2410	0.000	1	113.2410	0.000	1	113.2410	0.000	1	113.2410	0.000	1	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:4:3:1:	3:4:1:	3:4:3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(H){1|H<1>,1|N<3>,6|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(H){1|C<2>,1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){1|C<2>,3|H<1>,5|C<3>}	111.5690	0.000	1	111.5690	0.000	1	111.5690	0.000	1	111.5690	0.000	1	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:4:3:1:	3:4:2:	3:4:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:O-2:	C[5a]-3:C[5]-4:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5,6a]CC)(N[5]C[5,6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(OH)	C[5a](C[5a]C[5a,6a]H)(C[5]C[5]N[5]H)(S[5a]C[5a,6a])	C[5](C[5a]C[5a]S[5a])(C[5]C[5,6a]CC)(N[5]C[5,6a]O)(H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(OH){1|H<1>,1|S<2>,5|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[5]C[5]N[5]H)(S[5a]C[5a,6a]){1|O<2>,6|C<3>}	110.7520	0.000	1	110.7520	0.000	1	110.7520	0.000	1	110.7520	0.000	1	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:4:3:1:	3:4:4:	3:4:3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3){3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]H){2|C<4>,3|H<1>,4|C<3>}	114.5500	0.000	1	114.5500	0.000	1	114.5500	0.000	1	114.5500	0.000	1	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:4:3:1:	4:2:1:	4:3:3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-2:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]H)(H)	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(H)	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]Cl)(C[5a]N[5a]C)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]N[5]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5](C[5]C[5a]C[5]H)(N[5]C[5])(H){2|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5]H)(C[5a]N[5a]Cl)(C[5a]N[5a]C){1|N<2>,2|C<3>,3|H<1>}	111.6190	0.000	1	111.6190	0.000	1	111.6190	0.000	1	111.6190	0.000	1	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:4:3:1:	4:4:4:	3:4:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:	N[5a]-3:C[5]-4:N[5a]-2:	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH)	C[5a](N[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(N[5a]N[5a])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){2|N<2>,3|C<3>,5|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(N[5a]N[5a]){2|C<3>,2|H<1>,3|C<4>}	110.8600	0.000	1	110.8600	0.000	1	110.8600	0.000	1	110.8600	0.000	1	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:4:3:1:	4:4:4:	3:4:3:	C[5a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[5]-4:S-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5,6]O[5,6]O[6]C)(N[5]C[5,6]S)(H)	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[5a]H)(SC[6a]OO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]N[5]H)(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5,6]O[5,6]O[6]C)(N[5]C[5,6]S)(H){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[5a]H)(SC[6a]OO){1|C<4>,1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]N[5]H)(C[5a]N[5a]H){1|H<1>,1|S<4>,2|C<3>,2|O<2>,3|C<4>}	110.3660	0.000	1	110.3660	0.000	1	110.3660	0.000	1	111.9225	4.845	2	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:4:3:1:	4:4:4:	3:4:3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH){3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C){2|H<1>,3|C<4>,4|C<3>}	113.4790	0.000	1	113.4790	0.000	1	113.4790	0.000	1	111.9225	4.845	2	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:4:3:1:	4:4:4:	4:3:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5a]-3:N[5a]-2:	C[5](C[5a]N[5a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CC)(CC3)	C[5a](C[5]C[5]N[5]H)(N[5a]C[5a]C)(N[5a]C[5a])	C[5](C[5a]N[5a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){2|C<3>,2|H<1>,3|C<4>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CC)(CC3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5a](C[5]C[5]N[5]H)(N[5a]C[5a]C)(N[5a]C[5a]){7|C<4>}	116.2910	0.000	1	116.2910	0.000	1	116.2910	0.000	1	114.1330	9.314	2	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:4:3:1:	4:4:4:	4:3:2:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:N[5a]-3:N[5a]-2:	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH)	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|N<2>,5|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){2|H<1>,3|C<4>}	111.9750	0.000	1	111.9750	0.000	1	111.9750	0.000	1	114.1330	9.314	2	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	3:4:3:1:	4:4:4:	4:3:3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5]C[5a]C[5]H)2(SC[6a]OO)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[5a]C[5]H)2(SC[6a]OO){2|C<3>,2|N<3>,4|H<1>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]C){1|S<4>,2|C<4>,4|H<1>}	112.2482	1.869	4	112.2482	3.492	4	112.2482	3.492	4	112.2482	3.492	4	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	4:3:3:1:	4:2:4:	4:3:2:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H)	N[5](C[5]C[5,5]C[5a]H)(O[5]C[5,5])(CH3)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]C)(S[5a]C[5a])	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[5]C[5,5]C[5a]H)(O[5]C[5,5])(CH3){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]C)(S[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.1340	0.000	1	112.1340	0.000	1	113.2523	10.311	3	113.2523	10.311	3	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	4:3:3:1:	4:2:4:	4:3:2:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H)	N[5](C[5]C[5,5]C[5a]H)(O[5]C[5,5])(CH3)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[5a]H)(O[5]C[5,5])(CH3){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	116.8730	0.000	1	113.8115	18.746	2	113.2523	10.311	3	113.2523	10.311	3	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	4:3:3:1:	4:2:4:	4:3:2:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:O[5]-2:C-4:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H)	N[5](C[5]C[5,5]C[5a]H)(O[5]C[5,5])(CH3)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5]C[5a]H)(O[5]C[5,5])(CH3){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.7500	0.000	1	113.8115	18.746	2	113.2523	10.311	3	113.2523	10.311	3	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	4:3:3:1:	4:3:2:	4:3:3:	C[5,5]-4:N[5]-3:C[5a]-3:H-1:	C[5]-4:C[6a]-3:O[5]-2:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(C[5a]C[5a]2)(H)	N[5](C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(O[5]C[5,5])	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(C[5a]C[5a]2)(H){1|N<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	N[5](C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(O[5]C[5,5]){4|H<1>,6|C<3>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	110.2810	0.000	1	110.2810	0.000	1	110.2810	0.000	1	110.2810	0.000	1	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	4:3:3:1:	4:3:4:	4:3:2:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(H)	N[5](C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	N[5](C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|S<2>,4|H<1>,5|C<3>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	111.6550	0.000	1	111.6550	0.000	1	111.6550	0.000	1	111.6550	0.000	1	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	4:3:3:1:	4:4:1:	4:3:3:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CC)(H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]H)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CC)(H){2|H<1>,4|C<3>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]N[5a]C)(C[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	111.4655	0.271	2	111.4655	0.073	2	111.4655	0.073	2	111.4655	0.073	2	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	4:3:3:1:	4:4:4:	4:3:2:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	P[3,5]-4:C[5]-4:C-4:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5,5]C[3,5,5]C[5]C)(C[5a]C[5a]O[5a])(N[5]P[3,5]C)(H)	N[5](P[3,5]C[3,5,5]C[3,5]W)(C[5]C[5,5]C[5a]H)(CH3)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5,5]C[3,5,5]C[5]C)(C[5a]C[5a]O[5a])(N[5]P[3,5]C)(H){1|H<1>,1|W<6>,3|C<3>,3|C<4>}	N[5](P[3,5]C[3,5,5]C[3,5]W)(C[5]C[5,5]C[5a]H)(CH3){1|O<2>,3|C<3>,3|C<4>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|P<4>,2|H<1>,3|C<4>}	111.4510	0.000	1	111.4510	0.000	1	111.4510	0.000	1	111.4510	0.000	1	112.1835	3.354	54	113.8286	7.993	545
474	542	727	0:SP3_SP2_SP3	C[5]	N[5]	C[5a]	4:3:3:1:	4:4:4:	4:3:3:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CH)(CC[6a]HH)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]C)(H){1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CH)(CC[6a]HH){2|H<1>,4|C<3>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,3|C<4>,4|C<3>}	110.3155	0.868	2	110.3155	0.753	2	110.3155	0.753	2	110.3155	0.753	2	112.1835	3.354	54	113.8286	7.993	545
474	542	727	5:SP3_SP2_SP2	C[5,5,6]	N[5,5]	C[5,6,6a]	3:3:3:1:	4:4:3:	3:4:3:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(C[6a]C[6a]2)	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)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(H){2|H<1>,5|C<3>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(C[6a]C[6a]2){2|H<1>,6|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]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	100.9970	0.455	2	100.9970	0.207	2	100.9970	0.207	2	100.9970	0.207	2	99.7456	0.773	10	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5,6]	N[5,5]	C[5,6,6a]	3:3:4:1:	4:4:3:	3:4:3:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(COO)	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)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|P<3>,2|C<3>,3|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(COO){1|P<3>,2|C<3>,3|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>}	98.7808	0.000	1	98.7808	0.000	1	98.8250	0.004	2	98.8250	0.004	2	99.7456	0.773	10	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5,6]	N[5,5]	C[5,6,6a]	3:3:4:1:	4:4:3:	3:4:3:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HP)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(COO)	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)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HP)(H){2|C<3>,4|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(COO){1|P<3>,2|C<3>,3|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>}	98.8691	0.000	1	98.8691	0.000	1	98.8250	0.004	2	98.8250	0.004	2	99.7456	0.773	10	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5,6]	N[5,5]	C[5,6,6a]	3:4:3:1:	4:4:3:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(N[5,5]C[5,5,6]C)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]H)2(COO)	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)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(N[5,5]C[5,5,6]C)(H){3|C<3>,4|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]H)2(COO){1|C<4>,2|C<3>,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>}	100.2365	0.077	2	100.2365	0.006	2	99.8512	0.448	3	99.8058	0.243	5	99.7456	0.773	10	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5,6]	N[5,5]	C[5,6,6a]	3:4:3:1:	4:4:3:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]O[3]H)(N[5,5]C[5,5,6]C)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C)(C[5,5,6]C[5,6,6a]C[3,5,6]H)(CC[6a]O)	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)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]O[3]H)(N[5,5]C[5,5,6]C)(H){2|H<1>,3|C<3>}	N[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C)(C[5,5,6]C[5,6,6a]C[3,5,6]H)(CC[6a]O){1|O<2>,2|C<3>,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>}	99.0806	0.000	1	99.0806	0.000	1	99.8512	0.448	3	99.8058	0.243	5	99.7456	0.773	10	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5,6]	N[5,5]	C[5,6,6a]	3:4:3:1:	4:4:3:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C[6a])(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(C[6a]C[6a]2)	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)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C[6a])(H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(C[6a]C[6a]2){4|H<1>,6|C<3>}	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>}	99.7378	0.245	2	99.7378	0.060	2	99.7378	0.060	2	99.8058	0.243	5	99.7456	0.773	10	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5,6]	N[5,5]	C[5,6,6a]	3:4:3:3:	4:4:3:	4:3:3:	C[5,6,6a]-3:C[3,5,6]-4:N[5,5]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]O[3]H)(N[5,5]C[5,5,6]C)(CCO)	N[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C)(C[5,5,6]C[5,6,6a]C[3,5,6]H)(CC[6a]O)	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)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]O[3]H)(N[5,5]C[5,5,6]C)(CCO){2|C<3>,3|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C)(C[5,5,6]C[5,6,6a]C[3,5,6]H)(CC[6a]O){1|O<2>,2|C<3>,2|H<1>}	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>}	98.7833	0.000	1	98.7833	0.000	1	98.7833	0.000	1	98.7833	0.000	1	99.7456	0.773	10	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5,6]	N[5,6]	C[5,6a]	3:4:3:4:	4:4:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:C[5]-4:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	N[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	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)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	N[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5,6a]O){1|N<3>,3|H<1>,5|C<3>}	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>}	101.4340	0.000	1	101.4340	0.000	1	101.4340	0.000	1	101.4340	0.000	1	102.3950	1.847	2	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5,6]	N[5,6]	C[5,6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]N[5,6,6]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5]N[5]O)	N[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5,6a]O)	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)	C[5,5,6](C[5,5,6]N[5,6,6]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5]N[5]O){2|H<1>,2|O<1>,3|C<4>,5|C<3>}	N[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5,6a]O){1|C<4>,1|H<1>,1|O<1>,2|N<3>,5|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>}	103.3560	0.000	1	103.3560	0.000	1	103.3560	0.000	1	103.3560	0.000	1	102.3950	1.847	2	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5,5]	C[5,6a]	3:3:3:2:	4:3:2:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]O[5])(C[5]C[5]C)(OH)	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(O[5]C[5])	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]O[5])(C[5]C[5]C)(OH){1|H<1>,1|O<1>,3|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(O[5]C[5]){4|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>}	100.7830	0.000	1	100.7830	0.000	1	100.7830	0.000	1	100.7830	0.000	1	102.0838	0.791	12	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]C)(CH3)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]C)(CH3){1|N<3>,1|O<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|H<1>,5|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	101.2400	0.143	2	101.2400	0.020	2	101.2400	0.020	2	101.2400	0.020	2	102.0838	0.791	12	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:3:4:	4:3:3:	C[5,6a]-3:C[5a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH)	N[5,5](C[5,5]C[5,6a]C[5a]C[5])(C[5]C[5,6a]O)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,4|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5a]C[5])(C[5]C[5,6a]O)(C[5]C[5]HH){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	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>}	102.7810	0.000	1	102.7810	0.000	1	102.7810	0.000	1	102.7810	0.000	1	102.0838	0.791	12	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5,5]	C[5,6a]	3:3:4:2:	4:3:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C-4:O[5]-2:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(CC[5a]HH)(O[5]C[5])	N[5,5](C[5,5]C[5,6a]O[5]C)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(CC[5a]HH)(O[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]O[5]C)(C[5]C[5,6a]O)(C[5]C[5]HH){2|C<3>,2|H<1>}	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>}	103.4470	0.000	1	103.4470	0.000	1	103.4470	0.000	1	102.5775	1.512	2	102.0838	0.791	12	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5,5]	C[5,6a]	3:3:4:2:	4:3:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CN)(OH)	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CN)(OH){1|O<1>,2|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	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>}	101.7080	0.000	1	101.7080	0.000	1	101.7080	0.000	1	102.5775	1.512	2	102.0838	0.791	12	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5,5]	C[5,6a]	3:3:4:4:	3:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(CH3)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(CH3){1|H<1>,1|O<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	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>}	101.7720	0.021	2	101.7720	0.000	2	101.8747	0.032	3	101.8747	0.032	3	102.0838	0.791	12	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5,5]	C[5,6a]	3:3:4:4:	3:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3){1|H<1>,1|O<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<2>,2|H<1>,4|C<3>}	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>}	102.0800	0.000	1	102.0800	0.000	1	101.8747	0.032	3	101.8747	0.032	3	102.0838	0.791	12	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5,5]	C[5,6a]	3:4:3:3:	4:4:3:	4:3:3:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[6a]-3:	C[5,5]-4:S[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,5]C[5]S[5])(C[6a]C[6a]2)	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(S[5]C[5,6a]OO)(C[5]C[5]O)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,5]C[5]S[5])(C[6a]C[6a]2){3|O<1>,5|H<1>,6|C<3>}	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(S[5]C[5,6a]OO)(C[5]C[5]O){3|H<1>,5|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>}	103.7090	0.000	1	103.7090	0.000	1	103.7090	0.000	1	103.7090	0.000	1	102.0838	0.791	12	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5,5]	C[5,6a]	4:3:3:2:	4:4:3:	4:3:3:	C[5,6,6]-4:C[5,6a]-3:N[5,5]-3:O-2:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(OH)	N[5,5](C[5,5]C[5,6,6]C[5,6a]O)(C[5]C[5,3x6]HH)(C[5]C[5,6a]O)	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)	C[5,5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(OH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	N[5,5](C[5,5]C[5,6,6]C[5,6a]O)(C[5]C[5,3x6]HH)(C[5]C[5,6a]O){1|H<1>,2|C<3>,3|C<4>}	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>}	101.9260	0.000	1	101.9260	0.000	1	101.9260	0.000	1	101.9260	0.000	1	102.0838	0.791	12	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5,5]	C[5,6a]	6:3:3:2:	4:3:4:	4:3:3:	C[3x3,3x5,12x6]-6:C[5,6a]-3:N[5,5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(O[5]C[5])	N[5,5](C[5,5]C[3x3,3x5,12x6]C[5,6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]HH)	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)	C[5,5](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(O[5]C[5]){1|O<1>,2|C<3>,5|B<6>,9|H<1>}	N[5,5](C[5,5]C[3x3,3x5,12x6]C[5,6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]HH){1|Co<10>,1|C<6>,2|C<3>,2|H<1>,3|B<6>}	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>}	102.5470	0.000	1	102.5470	0.000	1	102.5470	0.000	1	102.5470	0.000	1	102.0838	0.791	12	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,5,6a]	3:3:3:4:	4:4:3:	3:4:3:	C[5,6a]-3:C[5,5,6a]-3:N[5]-3:C-4:	C[5,5]-4:C[5]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(N[5]C[5]C)(CH3)	N[5](C[5,5]C[5,5,6a]C[5,6a]C)(C[5]C[5,6a]HH)(CCO)	C[5,5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(C[5,6a]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(N[5]C[5]C)(CH3){3|H<1>,4|C<3>}	N[5](C[5,5]C[5,5,6a]C[5,6a]C)(C[5]C[5,6a]HH)(CCO){4|C<3>}	C[5,5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(C[5,6a]C[6a]C[5]){4|C<3>,4|H<1>}	98.4709	0.684	2	98.4709	0.468	2	98.4709	0.468	2	98.4709	0.468	2	98.4709	0.468	2	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:2:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(N[5]C[5]H)	N[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]O)(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)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(N[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	N[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]O)(H){5|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>}	101.7000	0.508	2	101.7000	0.258	2	101.7000	0.258	2	101.7000	0.258	2	101.7665	2.597	31	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:2:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,5]-4:N[5]-2:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C)	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a])(CC[6a]2)	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C){3|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a])(CC[6a]2){6|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>}	99.7571	0.000	1	99.7571	0.000	1	99.7571	0.000	1	99.7571	0.000	1	101.7665	2.597	31	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:2:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,5]-4:N[5]-2:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C)	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a])(CC[6a]2H)	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C){3|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a])(CC[6a]2H){6|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>}	98.0352	0.000	1	98.0352	0.000	1	98.0352	0.000	1	98.0352	0.000	1	101.7665	2.597	31	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(N[5]C[5]H){1|O<1>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(H){1|H<1>,5|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>}	100.8620	0.000	1	100.8620	0.000	1	100.7633	0.008	3	100.7633	0.008	3	101.7665	2.597	31	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]C[5]H){1|O<1>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(H){1|I<1>,5|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>}	100.7140	0.028	2	100.7140	0.001	2	100.7633	0.008	3	100.7633	0.008	3	101.7665	2.597	31	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C)	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a]C)(CC[6a]2)	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C){1|C<4>,3|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a]C)(CC[6a]2){6|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>}	99.6013	0.000	1	99.6013	0.000	1	99.6013	0.000	1	100.4376	1.399	2	101.7665	2.597	31	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]C[5])(N[5]S[5]H)	N[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]C[5])(N[5]S[5]H){2|H<1>,3|O<1>,6|C<3>}	N[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|S<4>,3|H<1>,6|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>}	101.2740	0.000	1	101.2740	0.000	1	101.2740	0.000	1	100.4376	1.399	2	101.7665	2.597	31	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:3:4:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(CC[6a]HH){1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	101.4820	0.000	1	101.4820	0.000	1	101.4820	0.000	1	101.4820	0.000	1	101.7665	2.597	31	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H)	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H){6|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>}	105.6560	0.000	1	105.2290	0.573	3	105.2290	0.573	3	105.2290	0.573	3	101.7665	2.597	31	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H)	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H){2|H<1>,2|O<1>,7|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H){6|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>}	105.0155	0.934	2	105.2290	0.573	3	105.2290	0.573	3	105.2290	0.573	3	101.7665	2.597	31	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:3:1:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5]H){1|H<1>,2|O<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(H){2|H<1>,5|C<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>}	101.5780	0.000	1	101.5780	0.000	1	101.5780	0.000	1	101.5780	0.000	1	101.7665	2.597	31	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|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>}	101.9330	0.000	1	102.1515	0.095	2	102.1515	0.095	2	102.1515	0.095	2	101.7665	2.597	31	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|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>}	102.3700	0.000	1	102.1515	0.095	2	102.1515	0.095	2	102.1515	0.095	2	101.7665	2.597	31	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:S-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(N[5]C[5]S)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(SC[6a]OO)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(N[5]C[5]S){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(SC[6a]OO){1|C<4>,2|H<1>,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|O<1>,1|S<4>,3|C<3>,4|H<1>}	99.9171	0.000	1	99.9171	0.000	1	99.9171	0.000	1	99.9171	0.000	1	101.7665	2.597	31	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]CH)(N[5]S[5]H)	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]CH)(N[5]S[5]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H){1|C<4>,1|H<1>,5|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>}	104.2520	0.000	1	104.2520	0.000	1	104.2520	0.000	1	104.2520	0.000	1	101.7665	2.597	31	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:2:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[5]-4:O[5]-2:N[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(N[5]C[5]C){1|H<1>,1|O<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(CCHH){1|H<1>,5|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>}	101.7320	0.123	2	101.7320	0.015	2	101.7320	0.015	2	101.7320	0.015	2	101.7665	2.597	31	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:2:	4:3:4:	4:3:3:	C[5,6a]-3:C[5]-4:N[5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C[6]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5]C[5]C[6])(O[5]C[5,6a])	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(C[6]C[6]2H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5]C[5]C[6])(O[5]C[5,6a]){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(C[6]C[6]2H){1|N<3>,2|C<4>,4|H<1>,5|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>}	102.1460	0.000	1	102.1460	0.000	1	102.1460	0.000	1	102.1460	0.000	1	101.7665	2.597	31	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(H){1|N<3>,1|O<1>,2|H<1>,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>}	101.6410	0.000	1	101.6410	0.000	1	101.6410	0.000	1	101.6410	0.000	1	101.7665	2.597	31	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:N-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]N)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(NC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]N){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(NC[6a]C){1|N<3>,1|O<1>,2|H<1>,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>}	100.3970	0.000	1	100.3970	0.000	1	100.3970	0.000	1	101.8310	0.663	5	101.7665	2.597	31	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[6a]C[5])(N[5]C[5,6a]C)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[6a]C[5])(N[5]C[5,6a]C){1|H<1>,1|O<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|Br<1>,3|H<1>,7|C<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>}	102.1895	0.165	4	102.1895	0.027	4	102.1895	0.027	4	101.8310	0.663	5	101.7665	2.597	31	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:3:4:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:N[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[5,6a]C)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[5,6a]C)(N[5]C[5]C){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(CC[6a]HH){1|Br<1>,1|H<1>,5|C<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>}	102.6380	0.000	1	102.6380	0.000	1	102.6380	0.000	1	102.6380	0.000	1	101.7665	2.597	31	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:4:3:	4:3:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(N[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(CC[6a]HH){3|H<1>,5|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<1>,4|C<3>,5|H<1>}	100.8440	0.000	1	100.8440	0.000	1	101.2140	0.274	2	101.2140	0.274	2	101.7665	2.597	31	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:4:4:3:	4:3:4:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(CCHH){1|N<3>,3|H<1>,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|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	101.5840	0.000	1	101.5840	0.000	1	101.2140	0.274	2	101.2140	0.274	2	101.7665	2.597	31	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,5]	N[5]	C[5,6a]	4:3:4:3:	4:3:4:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]O)(CC[6a]HH)	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)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]O)(CC[6a]HH){1|N<3>,3|H<1>,4|C<3>}	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>}	101.7140	0.000	1	101.7140	0.000	1	101.7140	0.000	1	101.7140	0.000	1	101.7665	2.597	31	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6,6]	N[5,6,6]	C[5,6a]	3:3:4:4:	4:4:3:	4:3:3:	C[5,6a]-3:N[5,6,6]-3:C[3x6]-4:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(N[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(CH3)	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)	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)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(N[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(CH3){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(C[5]C[5,6a]O){1|C<4>,3|H<1>,4|C<3>}	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>}	102.1810	0.000	1	102.1810	0.000	1	102.1810	0.000	1	102.1810	0.000	1	102.1810	0.000	1	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H){2|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C){2|H<1>,5|C<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>}	101.0900	0.000	1	101.0900	0.000	1	101.0900	0.000	1	101.8200	0.449	3	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6,6a]H)(H)	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6,6a]H)(H){1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O){2|H<1>,5|C<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>}	102.4070	0.000	1	102.4070	0.000	1	102.1850	0.099	2	101.8200	0.449	3	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){1|H<1>,2|O<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O){1|C<4>,1|H<1>,5|C<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>}	101.9630	0.000	1	101.9630	0.000	1	102.1850	0.099	2	101.8200	0.449	3	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:1:	4:3:4:	4:3:3:	C[5,6a]-3:C[5a,6]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[5,6a]C[5a,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6a]C[5a,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH){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>}	101.6000	0.249	2	101.6000	0.062	2	101.6000	0.062	2	101.6470	0.038	3	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:1:	4:3:4:	4:3:3:	C[5,6a]-3:N[5,6]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(N[6]C[6]C)(H)	N[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	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>}	101.7410	0.000	1	101.7410	0.000	1	101.7410	0.000	1	101.6470	0.038	3	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:1:	4:4:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:S[5]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H)	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(S[5]C[5,6a]OO)(C[6]N[6]O)	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H){1|N<3>,2|H<1>,3|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(S[5]C[5,6a]OO)(C[6]N[6]O){1|H<1>,4|C<3>}	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>}	104.3180	0.000	1	104.3180	0.000	1	104.3180	0.000	1	104.3180	0.000	1	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:2:	4:3:4:	3:3:4:	C[5,6a]-3:N[5,6]-3:C[6]-3:O-2:	C[5,6]-4:C[5]-3:C[6]-4:	C[6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[5]C[6])(C[6]C[6]O)(OC)	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5,6]N[5,6]C[6]O)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[5]C[6])(C[6]C[6]O)(OC){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5,6]N[5,6]C[6]O){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	102.1870	0.000	1	102.1870	0.000	1	102.1870	0.000	1	102.1870	0.000	1	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:2:	4:3:4:	4:3:3:	C[5,6a]-3:C[5a,6]-3:N[5,6]-3:O-2:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(OH)	N[5,6](C[5,6]C[5,6a]C[5a,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6a]C[5a,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,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>}	101.3490	0.000	1	101.3490	0.000	1	101.3490	0.000	1	100.7258	0.181	9	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:2:	4:3:4:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	N[5,6](C[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|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>}	100.2350	0.260	3	100.6479	0.144	8	100.6479	0.144	8	100.7258	0.181	9	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:2:	4:3:4:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	N[5,6](C[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|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>}	100.8956	0.118	5	100.6479	0.144	8	100.6479	0.144	8	100.7258	0.181	9	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5a]-3:N[5,6]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[5,6a]C[6,6a]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH)	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6]){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	N[5,6](C[5,6]C[5,6a]C[6,6a]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,6|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>}	100.1090	0.000	1	100.1090	0.000	1	100.1090	0.000	1	100.1090	0.000	1	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:3:	4:4:3:	4:3:3:	N[5a,6]-3:C[5,6a]-3:N[5,6]-3:C-3:	C[5,6]-4:S[5]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(COO)	N[5,6](C[5,6]C[5,6a]N[5a,6]C)(S[5]C[5,6a]OO)(C[6]C[6,6a]O)	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)	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(COO){2|H<1>,3|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]N[5a,6]C)(S[5]C[5,6a]OO)(C[6]C[6,6a]O){5|C<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>}	105.0650	0.000	1	105.0650	0.000	1	105.0650	0.000	1	105.0650	0.000	1	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:4:	4:3:4:	4:3:3:	C[5,6a]-3:C[5a,6]-3:N[5,6]-3:C-4:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(CH3)	N[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5]C[5,6a]O)(C[6]C[6]HH)	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(CH3){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,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>}	101.1950	0.000	1	101.1950	0.000	1	101.1950	0.000	1	100.8580	0.227	2	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:4:	4:3:4:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:C-4:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(CH3)	N[5,6](C[5,6]C[5,6a]C[6,6a]C)(C[5]C[5,6a]O)(C[6]C[6]HH)	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(CH3){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6a]C[6,6a]C)(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|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>}	100.5210	0.000	1	100.5210	0.000	1	100.5210	0.000	1	100.8580	0.227	2	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:4:1:	3:4:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[6]C[6]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,3|H<1>,4|C<3>}	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>}	102.2730	0.000	1	102.2730	0.000	1	102.2730	0.000	1	102.2730	0.000	1	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:4:1:	4:3:4:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]2H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]2H){2|C<3>,3|C<4>,5|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>}	102.3140	0.000	2	102.3140	0.000	2	102.0700	0.179	3	102.0700	0.179	3	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:4:1:	4:3:4:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]HO)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]HO){3|C<3>,3|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>}	101.5820	0.000	1	101.5820	0.000	1	102.0700	0.179	3	102.0700	0.179	3	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:4:1:	4:4:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HO)(C[6]N[6]S)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HO)(C[6]N[6]S){3|C<3>,3|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>}	100.6725	0.213	2	100.6725	0.045	2	100.6725	0.045	2	101.0613	0.227	4	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:4:1:	4:4:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(H)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(H){1|O<1>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6a]O){2|H<1>,4|C<3>}	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>}	101.5750	0.000	1	101.5750	0.000	1	101.4500	0.031	2	101.0613	0.227	4	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:4:1:	4:4:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,4|C<3>,4|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>}	101.3250	0.000	1	101.3250	0.000	1	101.4500	0.031	2	101.0613	0.227	4	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:4:2:	4:3:4:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-4:O-2:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(OH)	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]CH)	C[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(OH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,3|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>}	101.2810	0.000	1	101.2810	0.000	1	101.2645	0.001	2	101.2645	0.001	2	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:4:2:	4:3:4:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-4:O-2:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(OH)	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	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>}	101.2480	0.000	1	101.2480	0.000	1	101.2645	0.001	2	101.2645	0.001	2	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:4:2:	4:4:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-4:O-2:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HO)(OH)	N[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HO)(OH){1|O<1>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O){1|H<1>,1|O<2>,4|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>}	102.0490	0.000	1	102.0490	0.000	1	102.0490	0.000	1	102.0490	0.000	1	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:4:3:	4:4:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(CNO)	N[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(CNO){1|O<1>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5,6a]O){2|H<1>,4|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>}	101.3880	0.000	1	101.3880	0.000	1	101.3880	0.000	1	101.3880	0.000	1	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:4:4:	4:4:3:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:N[6a]-3:	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(CH3)	N[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]O)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]H)	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a,6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	99.6095	1.053	2	99.6095	1.108	2	99.6095	1.108	2	99.6095	1.108	2	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:4:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O){2|C<4>,2|H<1>,4|C<3>}	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>}	101.9190	0.232	3	101.9200	0.036	4	101.9200	0.036	4	101.9200	0.036	4	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:4:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O){2|C<4>,2|H<1>,4|C<3>}	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>}	101.9230	0.000	1	101.9200	0.036	4	101.9200	0.036	4	101.9200	0.036	4	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:4:3:1:	4:4:3:	4:3:3:	C[5,6a]-3:C[6,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]O)	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,4|C<3>,7|H<1>}	N[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	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>}	101.5230	0.000	2	101.5230	0.000	2	101.5230	0.000	2	101.5230	0.000	2	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:4:3:2:	4:3:4:	4:3:3:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:O-2:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[5]C[6])(OH)	N[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,6|H<1>}	N[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	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>}	100.6760	0.000	1	100.6760	0.000	1	100.6760	0.000	1	100.6760	0.000	1	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	4:3:3:2:	4:3:4:	4:3:3:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(OH)	N[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	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)	C[5,6](C[5,6]C[5,6a]N[5,6]O)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,1|O<2>,2|H<1>,3|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>}	101.4740	0.436	2	101.4740	0.190	2	101.4740	0.190	2	101.4740	0.190	2	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	6:3:3:2:	4:3:4:	4:3:3:	C[3x3,3x5,12x6]-6:C[5,6a]-3:N[5,6]-3:O[6]-2:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(O[6]C[6])	N[5,6](C[5,6]C[3x3,3x5,12x6]C[5,6a]O[6])(C[5]C[5,6a]O)(C[6]C[6]HH)	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)	C[5,6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,5|B<6>,9|H<1>}	N[5,6](C[5,6]C[3x3,3x5,12x6]C[5,6a]O[6])(C[5]C[5,6a]O)(C[6]C[6]HH){1|Co<10>,1|C<4>,1|C<6>,2|C<3>,2|H<1>,3|B<6>}	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>}	101.6670	0.000	1	101.6670	0.000	1	101.6670	0.000	1	101.6670	0.000	1	101.4280	1.042	45	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5]	C[5,6,6a]	3:3:4:3:	4:3:2:	4:3:3:	C[5,6,6a]-3:C[6a]-3:C[6]-4:N[5]-3:	C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]O)	N[5](C[5,6]C[5,6,6a]C[6a]C[6])(C[5]C[5,6a]O)(OC)	C[5,6,6a](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]N[6])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	N[5](C[5,6]C[5,6,6a]C[6a]C[6])(C[5]C[5,6a]O)(OC){1|C<4>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,6]C[6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6,6a]C[6a]N[6]){1|C<4>,1|O<1>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	98.7911	0.000	1	98.7911	0.000	1	98.7911	0.000	1	98.7911	0.000	1	98.7911	0.000	1	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5]	C[5,6a]	3:3:3:3:	4:3:2:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6]-3:N[5]-3:	C[5,6]-4:C[5]-3:N-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[5]C[5]N)	N[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(C[5]C[5,6a]O)(NC)	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[5]C[5]N){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(C[5]C[5,6a]O)(NC){1|C<2>,5|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>}	99.1766	0.000	1	99.1766	0.000	1	99.1766	0.000	1	99.3034	0.268	28	99.5862	0.403	77	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5]	C[5,6a]	3:3:3:3:	4:3:2:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[5]-3:N-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC){6|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>}	99.3080	0.527	27	99.3080	0.278	27	99.3080	0.278	27	99.3034	0.268	28	99.5862	0.403	77	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5])	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5]){1|O<1>,1|O<2>,3|H<1>,8|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,8|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>}	100.0310	0.000	1	99.7639	0.226	4	99.7639	0.226	4	99.4426	0.417	21	99.5862	0.403	77	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5])	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5]){1|O<1>,1|O<2>,3|H<1>,8|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,8|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>}	99.0528	0.000	1	99.7639	0.226	4	99.7639	0.226	4	99.4426	0.417	21	99.5862	0.403	77	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5])	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5]){1|O<1>,1|O<2>,3|H<1>,8|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,8|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>}	99.9858	0.045	2	99.7639	0.226	4	99.7639	0.226	4	99.4426	0.417	21	99.5862	0.403	77	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[5]-3:N-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCC)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCC){6|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>}	98.2967	0.000	1	98.2967	0.000	1	98.9537	0.255	7	99.4426	0.417	21	99.5862	0.403	77	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[5]-3:N-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCH)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCH){6|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>}	98.7555	0.407	3	98.7555	0.165	3	98.9537	0.255	7	99.4426	0.417	21	99.5862	0.403	77	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[5]-3:N-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NHH)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NHH){6|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>}	99.3709	0.253	3	99.3709	0.064	3	98.9537	0.255	7	99.4426	0.417	21	99.5862	0.403	77	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[5a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5a]C[5])	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5a]N[5a]S[5a])(C[5]C[5,6a]O)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5a]C[5]){1|N<2>,1|O<1>,1|O<2>,1|S<2>,3|H<1>,6|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5a]N[5a]S[5a])(C[5]C[5,6a]O){1|N<2>,7|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>}	99.0655	0.000	1	99.0786	0.115	4	99.0786	0.115	4	99.4426	0.417	21	99.5862	0.403	77	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[5a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5a]C[5])	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5a]N[5a]S[5a])(C[5]C[5,6a]O)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5a]C[5]){1|N<2>,1|O<1>,1|O<2>,1|S<2>,3|H<1>,6|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5a]N[5a]S[5a])(C[5]C[5,6a]O){8|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>}	99.0830	0.416	3	99.0786	0.115	4	99.0786	0.115	4	99.4426	0.417	21	99.5862	0.403	77	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5])	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5]){1|O<1>,1|O<2>,3|H<1>,8|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){1|H<1>,1|N<2>,8|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>}	100.1080	0.000	1	100.1080	0.000	1	100.0413	0.204	6	99.4426	0.417	21	99.5862	0.403	77	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5])	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[6a]C[5]){1|N<2>,1|O<1>,1|O<2>,3|H<1>,7|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[5]C[5,6a]O){1|H<1>,8|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>}	100.0280	0.504	5	100.0280	0.254	5	100.0413	0.204	6	99.4426	0.417	21	99.5862	0.403	77	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5]	C[5,6a]	3:3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH){6|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>}	100.4330	0.092	4	99.9677	0.149	23	100.0167	0.212	25	100.0167	0.212	25	99.5862	0.403	77	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5]	C[5,6a]	3:3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH){6|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>}	99.8698	0.350	19	99.9677	0.149	23	100.0167	0.212	25	100.0167	0.212	25	99.5862	0.403	77	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5]	C[5,6a]	3:3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CC[6]HH)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CC[6]HH){6|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>}	101.3320	0.000	1	101.3320	0.000	1	100.0167	0.212	25	100.0167	0.212	25	99.5862	0.403	77	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5]	C[5,6a]	3:3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CC[6a]HH){6|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>}	99.8273	0.000	1	99.8273	0.000	1	100.0167	0.212	25	100.0167	0.212	25	99.5862	0.403	77	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5]	C[5,6a]	3:3:4:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6]-4:N[5]-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]H)	N[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]O)(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)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]O)(H){1|C<4>,2|H<1>,4|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>}	100.3020	0.034	2	100.3020	0.001	2	100.3020	0.001	2	100.3020	0.001	2	99.5862	0.403	77	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5,6]	N[5]	C[5,6a]	3:4:4:3:	4:3:2:	3:4:3:	C[5,6a]-3:C[6]-4:C[6]-4:N[5]-3:	C[5,6]-4:C[5]-3:O-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(N[5]C[5]O)	N[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)2(N[5]C[5]O){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(OC){2|C<3>,2|C<4>,4|H<1>}	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>}	98.3258	0.000	1	98.3258	0.000	1	98.3258	0.000	1	98.3258	0.000	1	99.5862	0.403	77	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5,5]	C[5,6a]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:H-1:H-1:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,5])(C[5]N[5,5]C[6a])(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(H)2{1|H<1>,1|N<3>,4|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,5])(C[5]N[5,5]C[6a])(C[5]C[5,6a]HH){1|C<4>,5|C<3>}	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>}	101.2005	0.262	2	101.2005	0.069	2	101.2005	0.069	2	101.2005	0.069	2	100.6812	0.843	3	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5,5]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(CCCH)(H)	N[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(C[5]N[5]H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(CCCH)(H){1|N<3>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(C[5]N[5]H){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>}	99.6427	0.000	1	99.6427	0.000	1	99.6427	0.000	1	99.6427	0.000	1	100.6812	0.843	3	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:1:	4:3:4:	3:4:3:	N[5,6]-3:C[5,6a]-3:H-1:H-1:	B[5,6,6]-4:C[6,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](N[5,6]B[5,6,6]C[6,6a])(C[5,6a]C[5,6a]C[6a])(H)2	N[5,6](B[5,6,6]C[5,6a]N[6,6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]B[5,6,6]C[6a])(C[5]N[5,6]HH)(C[6a]C[6a]H)	C[5](N[5,6]B[5,6,6]C[6,6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	N[5,6](B[5,6,6]C[5,6a]N[6,6]O[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]HH){1|H<1>,2|C<4>,5|C<3>}	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>}	103.3750	0.000	1	103.3750	0.000	1	103.3750	0.000	1	103.3750	0.000	1	101.3855	1.180	8	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:1:	4:4:3:	3:3:4:	C[5,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]O)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[6a]C[6a,6a]O)(C[5]N[5,6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(H)2{1|C<3>,1|N<3>,2|O<1>,3|C<4>}	N[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[6a]C[6a,6a]O)(C[5]N[5,6]HH){1|H<1>,2|C<4>,3|C<3>}	101.4550	0.218	2	101.4550	0.047	2	101.4550	0.047	2	101.4550	0.047	2	101.3855	1.180	8	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:1:	4:4:3:	3:4:3:	C[5,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	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>}	101.9380	0.000	2	101.9380	0.000	2	101.9380	0.000	2	101.9380	0.000	2	101.3855	1.180	8	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:2:1:	4:4:3:	3:4:3:	C[5,6a]-3:N[5,6]-3:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)(H)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HO)(C[6]N[6]S)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]HO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HO)(C[6]N[6]S){3|C<3>,3|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>}	100.4165	0.278	2	100.4165	0.077	2	100.4165	0.077	2	100.4165	0.077	2	101.3855	1.180	8	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[5,6a]-3:N[5,6]-3:C[3]-4:C-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[3]C[3]2H)(CCH)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[3]C)(C[6]C[6]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)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[3]C[3]2H)(CCH){4|C<3>,6|H<1>}	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[3]C)(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	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>}	100.0900	0.000	1	100.0900	0.000	1	100.0900	0.000	1	100.0900	0.000	1	101.3855	1.180	8	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:1:	4:3:3:	3:3:4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5a,5a]C[5])(C[5a]N[5a,5a]C[6a])(C[5]N[5]HH)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2{1|N<3>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,5a]C[5])(C[5a]N[5a,5a]C[6a])(C[5]N[5]HH){1|O<1>,1|O<2>,4|C<3>}	102.3530	0.000	1	102.3530	0.000	1	102.3530	0.000	1	102.3530	0.000	1	100.2742	1.394	22	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:1:	4:3:4:	3:3:4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CC[6]HH)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]N[5]HH)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CC[6]HH){1|C<3>,1|N<2>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>}	101.4390	0.000	1	101.4390	0.000	1	101.4390	0.000	1	101.4390	0.000	1	100.2742	1.394	22	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:1:	4:4:3:	3:3:4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5a]HH)2(CC[6a]O)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]N)(C[5]N[5]HH)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2{1|N<2>,2|H<1>,2|N<3>}	N[5](C[5]C[5,5a]HH)2(CC[6a]O){1|C<3>,1|N<3>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]N)(C[5]N[5]HH){2|C<3>,2|H<1>}	100.3920	0.000	1	100.3920	0.000	1	100.4227	0.025	3	100.0678	1.434	8	100.2742	1.394	22	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:1:	4:4:3:	3:3:4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5a]HH)2(COO)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]N)(C[5]N[5]HH)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2{1|N<2>,2|H<1>,2|N<3>}	N[5](C[5]C[5,5a]HH)2(COO){1|C<3>,1|N<3>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]N)(C[5]N[5]HH){2|C<3>,2|H<1>}	100.4380	0.222	2	100.4380	0.049	2	100.4227	0.025	3	100.0678	1.434	8	100.2742	1.394	22	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:1:	4:4:3:	3:3:4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5a]HH)2(CC[6a]O)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2{1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5a]HH)2(CC[6a]O){1|C<3>,1|N<3>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH){1|C<3>,1|N<3>,2|H<1>}	98.9498	0.000	1	98.9498	0.000	1	98.7407	0.037	3	100.0678	1.434	8	100.2742	1.394	22	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:1:	4:4:3:	3:3:4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5a]HH)2(COO)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2{1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5a]HH)2(COO){1|C<3>,1|N<3>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH){1|C<3>,1|N<3>,2|H<1>}	98.6361	0.088	2	98.6361	0.008	2	98.7407	0.037	3	100.0678	1.434	8	100.2742	1.394	22	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:1:	4:4:3:	3:3:4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,5a]CH)(C[5]C[5,5a]HH)(C[6a]C[6a]2)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]O[5a]H)(C[5]N[5]HH)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5a]CH)(C[5]C[5,5a]HH)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]O[5a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|H<1>}	101.5290	0.000	1	101.5290	0.000	1	101.5260	0.000	2	100.0678	1.434	8	100.2742	1.394	22	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:1:	4:4:3:	3:3:4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]N[5]HH)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,2|H<1>}	101.5230	0.000	1	101.5230	0.000	1	101.5260	0.000	2	100.0678	1.434	8	100.2742	1.394	22	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:1:	4:4:3:	3:4:2:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]HH)(N[5a]N[5a])	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(H)2{1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	100.4490	0.000	1	100.4490	0.000	1	100.4490	0.000	1	100.4490	0.000	1	100.2742	1.394	22	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,5a]-3:N[5]-3:C[6a]-3:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]O)	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]N[5]H)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,3|H<1>,5|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]O){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5]C[6a]N[5]H)(C[5a]C[5a]H){1|H<1>,1|O<1>,3|C<3>}	100.4060	0.000	1	100.4060	0.000	1	100.4060	0.000	1	100.4060	0.000	1	100.2742	1.394	22	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:3:1:	4:3:3:	3:3:4:	C[5,5a]-3:N[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(NC[6a]C)(H)	N[5](C[5]C[5,5a]HN)(C[5]N[5,5a]O)(C[6a]C[6a]2)	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]HN)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(NC[6a]C)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5a]HN)(C[5]N[5,5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]HN){1|C<3>,1|O<1>,2|H<1>}	100.1610	0.000	1	100.1610	0.000	1	100.1610	0.000	1	100.1610	0.000	1	100.2742	1.394	22	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,5a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:B[5]-3:C[6a]-3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,5a]C[6a]H)(B[5]N[5,5a]C[6a])(C[6a]C[6a]2)	C[5,5a](N[5,5a]C[5a]B[5])(C[5]C[6a]N[5]H)(C[5a]C[5a]H)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	N[5](C[5]C[5,5a]C[6a]H)(B[5]N[5,5a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5,5a](N[5,5a]C[5a]B[5])(C[5]C[6a]N[5]H)(C[5a]C[5a]H){2|H<1>,4|C<3>}	101.0040	0.000	1	101.0040	0.000	1	101.0040	0.000	1	100.8300	0.061	2	100.2742	1.394	22	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,5a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(C[6a]C[6a]2)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]N[5]H)(C[5a]C[5a,6a]C)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	N[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]N[5]H)(C[5a]C[5a,6a]C){1|O<1>,5|C<3>}	100.6560	0.000	1	100.6560	0.000	1	100.6560	0.000	1	100.8300	0.061	2	100.2742	1.394	22	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:3:3:	4:3:1:	3:4:3:	C[5,5a]-3:C[6a]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)(COO)	N[5](C[5]C[5,5a]C[6a]C)(C[5]N[5,5a]O)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]N[5]C)(C[5a]C[5a,6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)(COO){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,5a]C[6a]C)(C[5]N[5,5a]O)(H){4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5]C[6a]N[5]C)(C[5a]C[5a,6a]H){1|H<1>,1|O<1>,4|C<3>}	100.1880	0.000	1	100.1880	0.000	1	100.1880	0.000	1	100.1880	0.000	1	100.2742	1.394	22	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:4:1:	3:4:3:	3:3:4:	C[5,5a]-3:N[5]-3:C-4:H-1:	B[5]-3:C[5]-4:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(CH3)(H)	N[5](B[5]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2)	C[5,5a](N[5,5a]C[5a]B[5])(C[5a]C[5a]H)(C[5]N[5]CH)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]B[5])(CH3)(H){1|H<1>,5|C<3>}	N[5](B[5]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[5,5a](N[5,5a]C[5a]B[5])(C[5a]C[5a]H)(C[5]N[5]CH){2|C<3>,2|H<1>}	101.7540	0.000	1	101.7540	0.000	1	101.7540	0.000	1	101.7540	0.000	1	100.2742	1.394	22	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:4:1:	4:3:3:	3:4:2:	C[5,5a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(CCO)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]CH)(N[5a]O[5a])	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(CCCH)(H){1|C<3>,1|O<1>,1|O<2>}	N[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(CCO){1|C<3>,1|N<2>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]CH)(N[5a]O[5a]){1|C<3>,1|C<4>,1|O<1>}	99.8786	0.000	1	99.8786	0.000	1	99.8786	0.000	1	99.8786	0.000	1	100.2742	1.394	22	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:4:1:	4:4:3:	3:4:2:	C[5,5a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(CCCH)(H)	N[5](C[5]C[5,5a]CH)(C[5]C[5,5a]HH)(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]CH)(N[5a]O[5a])	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(CCCH)(H){1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5a]CH)(C[5]C[5,5a]HH)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]CH)(N[5a]O[5a]){1|C<3>,3|H<1>}	100.4210	0.000	1	100.4210	0.000	1	100.4210	0.000	1	100.4210	0.000	1	100.2742	1.394	22	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:4:3:	4:3:1:	3:3:4:	C[5,5a]-3:N[5]-3:C-4:C-3:	C[5]-4:C[5]-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[5]H)(CH3)(COO)	N[5](C[5]C[5,5a]CC)(C[5]N[5,5a]O)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]N[5]CC)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[5]H)(CH3)(COO){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5a]CC)(C[5]N[5,5a]O)(H){2|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]N[5]CC){1|H<1>,1|O<1>,2|C<3>}	100.4530	0.000	1	100.4530	0.000	1	100.4530	0.000	1	100.4530	0.000	1	100.2742	1.394	22	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:4:4:	4:4:1:	3:3:4:	C[5,5a]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]O)(CH3)2	N[5](C[5]C[5,5a]CC)2(O)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]CC)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]O)(CH3)2{1|C<3>,1|H<1>,1|S<2>,2|C<4>}	N[5](C[5]C[5,5a]CC)2(O){1|C<3>,1|S<2>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]CC){1|O<1>,3|C<4>}	98.9273	0.000	1	98.9273	0.000	1	98.9273	0.000	1	98.9273	0.000	1	100.2742	1.394	22	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:4:4:	4:4:1:	3:4:2:	C[5,5a]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-1:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]O)(CH3)2	N[5](C[5]C[5,5a]CC)2(O)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]CC)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]O)(CH3)2{2|C<3>,2|C<4>}	N[5](C[5]C[5,5a]CC)2(O){1|C<3>,1|S<2>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]CC)(S[5a]C[5a]){1|H<1>,1|O<1>,3|C<4>}	97.4011	0.000	1	97.4011	0.000	1	97.4011	0.000	1	97.4011	0.000	1	100.2742	1.394	22	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	3:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(H)2	N[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(H)2{1|H<1>,2|N<2>,3|C<3>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N){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]N[5]HH){1|N<2>,2|C<3>,2|H<1>}	101.9370	0.000	1	101.9370	0.000	1	101.9370	0.000	1	103.2357	3.303	4	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	3:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|H<1>,1|N<2>,4|C<3>}	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>}	102.2120	0.000	1	102.2120	0.000	1	102.5565	0.237	2	103.2357	3.303	4	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	3:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,2|N<2>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N){1|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|N<2>,2|C<3>,2|H<1>}	102.9010	0.000	1	102.9010	0.000	1	102.5565	0.237	2	103.2357	3.303	4	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	3:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	P[5]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	N[5](P[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{1|H<1>,5|C<3>}	N[5](P[5]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|C<4>,6|C<3>}	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>}	105.8930	0.000	1	105.8930	0.000	1	105.8930	0.000	1	103.2357	3.303	4	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]H)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]H)(H)2{1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]N[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	101.0300	0.144	2	101.0300	0.021	2	101.0300	0.021	2	101.4951	0.428	10	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5a,6a]-3:C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]HH)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(H)2{1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	101.1882	0.373	4	101.1882	0.139	4	101.1882	0.139	4	101.4951	0.428	10	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2{1|H<1>,1|N<2>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H){2|C<3>}	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>}	101.6570	0.000	1	101.8190	0.052	2	102.0345	0.482	4	101.4951	0.428	10	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2{1|H<1>,1|N<3>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H){2|C<3>}	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>}	101.9810	0.000	1	101.8190	0.052	2	102.0345	0.482	4	101.4951	0.428	10	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]C[6a])(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2{1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]C[6a])(C[5]N[5]HH){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	103.0270	0.000	1	103.0270	0.000	1	102.0345	0.482	4	101.4951	0.428	10	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(H)2{1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]HH){1|C<3>,1|O<1>,3|H<1>}	101.4730	0.000	1	101.4730	0.000	1	102.0345	0.482	4	101.4951	0.428	10	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CNO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CNO){2|C<3>}	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>}	102.3140	0.070	3	102.3140	0.005	3	102.3140	0.005	3	102.6757	0.729	43	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|N<3>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(C[6a]C[6a]2){1|Pd<4>,1|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|N<3>,2|C<3>,2|H<1>}	102.8053	0.198	8	102.7670	0.048	9	102.5254	0.389	37	102.6757	0.729	43	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|N<3>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(C[6a]C[6a]2){2|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|N<3>,2|C<3>,2|H<1>}	102.4610	0.000	1	102.7670	0.048	9	102.5254	0.389	37	102.6757	0.729	43	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|N<2>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]HH){1|O<1>,5|C<3>}	102.6230	0.000	1	102.6230	0.000	1	102.5254	0.389	37	102.6757	0.729	43	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){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>}	103.3640	0.000	1	103.3640	0.000	1	102.5254	0.389	37	102.6757	0.729	43	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){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]N[5]HH){1|O<1>,2|C<3>,2|H<1>}	101.8965	0.496	2	102.2423	0.133	24	102.5254	0.389	37	102.6757	0.729	43	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,5|C<3>}	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>}	102.2630	0.000	1	102.2423	0.133	24	102.5254	0.389	37	102.6757	0.729	43	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|Cl<1>,1|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|O<1>,2|C<3>,2|H<1>}	101.4360	0.000	1	102.2423	0.133	24	102.5254	0.389	37	102.6757	0.729	43	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){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]N[5]HH){1|O<1>,2|C<3>,2|H<1>}	102.1785	0.126	6	102.2423	0.133	24	102.5254	0.389	37	102.6757	0.729	43	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	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>}	102.2412	0.206	10	102.2423	0.133	24	102.5254	0.389	37	102.6757	0.729	43	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|C<4>,4|C<3>}	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>}	102.0660	0.000	1	102.2423	0.133	24	102.5254	0.389	37	102.6757	0.729	43	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|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|O<1>,2|C<3>,2|H<1>}	102.9250	0.088	3	102.2423	0.133	24	102.5254	0.389	37	102.6757	0.729	43	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|N<3>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH){1|O<1>,2|C<3>,2|H<1>}	104.3670	0.785	2	104.3670	0.616	2	102.5254	0.389	37	102.6757	0.729	43	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:P[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{1|C<2>,1|H<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<2>,2|C<3>,2|H<1>}	105.3960	0.000	1	105.3960	0.000	1	104.8910	0.327	3	102.6757	0.729	43	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:P[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]Cl)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{1|Cl<1>,1|H<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]Cl)(C[6a]C[6a]2){2|C<4>,4|C<3>}	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>}	104.2700	0.000	1	104.2700	0.000	1	104.8910	0.327	3	102.6757	0.729	43	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:P[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{1|H<1>,1|O<2>,4|C<3>}	N[5](C[5]C[5,6a]HH)(P[5]C[5,6a]O)(C[6a]C[6a]2){2|C<4>,4|C<3>}	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>}	105.0070	0.000	1	105.0070	0.000	1	104.8910	0.327	3	102.6757	0.729	43	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:4:	3:2:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH){1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	102.4280	0.000	1	102.4280	0.000	1	101.9955	0.374	2	101.9955	0.374	2	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:4:	3:2:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH){1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]HH){1|C<4>,1|O<1>,3|C<3>}	101.5630	0.000	1	101.5630	0.000	1	101.9955	0.374	2	101.9955	0.374	2	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:F-1:F-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(F)2	N[5](C[5]C[5,6a]FF)(C[5]C[5,6a]O)(CBr2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]FF)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(F)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]FF)(C[5]C[5,6a]O)(CBr2C){2|C<3>}	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>}	103.7380	0.000	1	103.7380	0.000	1	103.7380	0.000	1	102.1777	0.242	40	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CC[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CC[6]HH){2|C<3>}	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>}	102.0375	0.200	2	102.0375	0.040	2	102.2637	0.132	27	102.1777	0.242	40	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC3){2|C<3>}	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>}	102.9570	0.226	2	102.9570	0.051	2	102.2637	0.132	27	102.1777	0.242	40	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	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>}	102.1482	0.290	14	102.1482	0.084	14	102.2637	0.132	27	102.1777	0.242	40	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]N[5]H){2|C<3>}	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>}	102.6340	0.536	2	102.6340	0.287	2	102.2637	0.132	27	102.1777	0.242	40	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH){2|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>}	102.3210	0.000	1	102.3210	0.000	1	102.2637	0.132	27	102.1777	0.242	40	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH){2|C<3>}	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>}	102.5270	0.000	1	102.5270	0.000	1	102.2637	0.132	27	102.1777	0.242	40	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH){2|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>}	101.6800	0.000	1	101.6800	0.000	1	102.2637	0.132	27	102.1777	0.242	40	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH){2|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>}	102.2445	0.033	2	102.2445	0.001	2	102.2637	0.132	27	102.1777	0.242	40	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]HH){2|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|N<3>,2|O<1>}	102.4410	0.000	1	102.3855	0.006	2	102.2637	0.132	27	102.1777	0.242	40	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]HH){2|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>}	102.3300	0.000	1	102.3855	0.006	2	102.2637	0.132	27	102.1777	0.242	40	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H){1|N<3>,2|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]N[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	102.2115	0.672	2	102.2115	0.452	2	102.0523	0.108	6	102.1777	0.242	40	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	101.9727	0.062	4	101.9727	0.004	4	102.0523	0.108	6	102.1777	0.242	40	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5,6,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6,6a]C[5,6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]HH)	C[5](C[5,6a]C[5,6,6a]C[5,6a])(N[5]C[5]S)(H)2{1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a]OO){2|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]HH){1|C<4>,1|O<1>,1|O<2>,1|S<4>,4|C<3>}	101.3803	0.061	3	101.3803	0.004	3	101.3803	0.004	3	102.1777	0.242	40	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]Si)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|Si<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a]OO){2|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]Si)(C[5]N[5]HH){1|O<1>,1|O<2>,1|S<4>,2|C<3>}	102.0600	0.000	1	102.0600	0.000	1	101.9320	0.320	3	102.1777	0.242	40	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]Si)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|Si<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a]OO){2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]Si)(C[5]N[5]HH){1|O<1>,1|O<2>,1|S<4>,2|C<3>}	102.4230	0.000	1	102.4230	0.000	1	101.9320	0.320	3	102.1777	0.242	40	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a]OO){2|C<3>}	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>}	101.3130	0.000	1	101.3130	0.000	1	101.9320	0.320	3	102.1777	0.242	40	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,5,6a]C[6a])(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5,6a]C[5,6a]C)(C[5]C[5,6a]HH)(CCO)	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,5,6a]C[6a])(N[5]C[5,5]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,5]C[5,5,6a]C[5,6a]C)(C[5]C[5,6a]HH)(CCO){4|C<3>}	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>}	102.3340	0.399	2	102.3340	0.159	2	102.3340	0.159	2	103.1082	1.000	12	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)2(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)2(CCH){2|C<3>}	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>}	102.4285	0.227	2	102.4285	0.052	2	102.8382	0.151	6	103.1082	1.000	12	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)2(CC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)2(CC[6a]O){2|C<3>}	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>}	103.0060	0.000	1	102.9390	0.009	2	102.8382	0.151	6	103.1082	1.000	12	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)2(CC[6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)2(CC[6a]O){2|C<3>}	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>}	102.8720	0.000	1	102.9390	0.009	2	102.8382	0.151	6	103.1082	1.000	12	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)2(CRhC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)2(CRhC){2|C<3>}	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>}	103.1470	0.385	2	103.1470	0.148	2	102.8382	0.151	6	103.1082	1.000	12	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|C<2>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|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<2>,2|C<3>,3|H<1>}	102.5690	0.000	1	103.2400	0.354	3	103.2400	0.354	3	103.1082	1.000	12	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{2|H<1>,5|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|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){3|C<3>,3|H<1>}	103.5755	0.182	2	103.2400	0.354	3	103.2400	0.354	3	103.1082	1.000	12	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2	N[5](P[5]C[5,6a]Pd2)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)2{2|Pd<3>,1|H<1>,4|C<3>}	N[5](P[5]C[5,6a]Pd2)(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>}	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>}	105.8810	0.000	1	105.8810	0.000	1	105.8810	0.000	1	103.1082	1.000	12	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:3:	3:4:2:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]N[6a]C[5])(C[5]N[5]HH)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(H)2{1|N<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[5]N[5]HH)(N[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>}	102.2440	0.000	1	102.2440	0.000	1	102.2440	0.000	1	102.2440	0.000	1	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]S)(H)2{2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]HH){1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	100.8910	0.000	1	100.8910	0.000	1	100.8910	0.000	1	103.2223	13.477	3	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	101.3220	0.000	1	101.3220	0.000	1	101.3220	0.000	1	103.2223	13.477	3	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	P[5]-4:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]C)(H)2	N[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CH3)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]C)(H)2{1|H<1>,4|C<3>}	N[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CH3){6|C<3>}	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>}	107.4540	0.000	1	107.4540	0.000	1	107.4540	0.000	1	103.2223	13.477	3	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:1:	3:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(OC)(H)	N[5](C[5a]N[5a]S[5a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(OC)(H){1|H<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O){4|C<3>}	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>}	100.7390	0.000	1	100.7390	0.000	1	100.7390	0.000	1	101.2155	0.454	2	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:1:	3:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	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>}	101.6920	0.000	1	101.6920	0.000	1	101.6920	0.000	1	101.2155	0.454	2	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:1:	3:4:3:	3:4:2:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(OC)(H)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]N[6a]C[5])(C[5]N[5]HO)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(OC)(H){1|O<1>,2|C<3>,2|N<2>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[5]N[5]HO)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>}	101.6793	0.270	3	101.6793	0.073	3	101.6793	0.073	3	101.6793	0.073	3	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:1:	4:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5a,6a]-3:C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(OC)(H)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]HO)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(OC)(H){1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]HO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	102.0810	0.000	1	102.0810	0.000	1	102.0810	0.000	1	102.0810	0.000	1	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C-2:F-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CN)(F)	N[5](C[5]C[5,6a]CF)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CF)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CN)(F){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]CF)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|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>}	104.0630	0.000	1	104.0630	0.000	1	104.0630	0.000	1	102.4540	0.885	7	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C-2:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CN)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CN)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|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>}	102.8480	0.000	1	102.8480	0.000	1	102.8480	0.000	1	102.4540	0.885	7	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OC)(H)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OC)(H){1|N<2>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]HO){1|O<1>,5|C<3>}	103.2120	0.000	1	103.2120	0.000	1	102.0534	0.442	5	102.4540	0.885	7	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	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>}	101.6155	0.008	2	101.6155	0.000	2	102.0534	0.442	5	102.4540	0.885	7	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(OH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	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>}	101.9120	0.011	2	101.9120	0.000	2	102.0534	0.442	5	102.4540	0.885	7	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC)(H)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	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>}	102.1610	0.188	3	102.1610	0.035	3	101.8325	0.153	6	102.1358	0.573	8	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OH)(H)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[5,5,6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[5,5,6]HH){2|C<3>}	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>}	101.5660	0.153	2	101.5660	0.023	2	101.8325	0.153	6	102.1358	0.573	8	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OH)(H)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	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>}	101.3800	0.000	1	101.3800	0.000	1	101.8325	0.153	6	102.1358	0.573	8	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C[4]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(OC)(H)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[4]C[4]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(OC)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[4]C[4]2H){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]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	103.7670	0.000	1	103.7670	0.000	1	103.7670	0.000	1	102.1358	0.573	8	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(OH)(H)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6]C[6]2H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(OH)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6]C[6]2H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	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>}	102.3240	0.000	1	102.3240	0.000	1	102.3240	0.000	1	102.1358	0.573	8	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:1:	4:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:C-2:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC)(H){3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	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>}	102.6700	0.000	1	102.6700	0.000	1	102.6700	0.000	1	102.2047	0.163	3	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:1:	4:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC)(H)	N[5](C[5]C[5,6a]HO)2(CNS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC)(H){1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]HO)2(CNS){2|C<3>}	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>}	101.9720	0.028	2	101.9720	0.001	2	101.9720	0.001	2	102.2047	0.163	3	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:4:	4:3:2:	3:3:4:	C[5,6a]-3:N[5]-3:O-2:C-4:	C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(OC[6])(CF3)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(OC[6])(CF3){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC){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>}	100.6050	0.000	1	100.6050	0.000	1	100.6050	0.000	1	100.6050	0.000	1	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	3:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:N-3:H-1:	B[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H)	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC3)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H){1|H<1>,3|C<3>}	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC3){4|C<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>}	104.2210	0.000	1	104.2210	0.000	1	104.2210	0.000	1	104.2210	0.000	1	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:2:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:S[5]-2:S-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]S)(H)	N[5](C[5]C[5,6a]C[6a]H)(S[5]C[5,6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]S)(H){3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(S[5]C[5,6a])(SC[6a]OO){4|C<3>}	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>}	105.3820	0.000	1	105.3820	0.000	1	105.3820	0.000	1	105.3820	0.000	1	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCC)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCC)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H){2|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>}	101.4960	0.000	1	101.4960	0.000	1	101.8045	0.190	2	101.8045	0.190	2	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(COO)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H){2|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>}	102.1130	0.000	1	102.1130	0.000	1	101.8045	0.190	2	101.8045	0.190	2	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:1:	3:4:3:	C[5,6a]-3:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[5]H)(H)	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(H){4|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>}	100.7320	0.000	1	100.7320	0.000	1	100.7320	0.000	1	101.1947	0.236	3	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(N[5]C[5]H)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6,6a]C[6a])(N[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	101.4260	0.389	2	101.4260	0.151	2	101.4260	0.151	2	101.1947	0.236	3	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]N[5a])(C[5]C[5,6a]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5a]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]N[5a])(C[5]C[5,6a]O){1|H<1>,1|N<2>,6|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H){1|O<1>,2|H<1>,6|C<3>}	100.8850	0.000	1	100.8850	0.000	1	100.8850	0.000	1	102.5065	1.493	4	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NCH)(H)	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NCH)(H){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2){2|C<4>,4|C<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>}	102.2830	0.000	1	102.2830	0.000	1	103.0470	0.487	3	102.5065	1.493	4	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:B[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NC[6a]H)(H)	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(NC[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(C[6a]C[6a]2){2|C<4>,4|C<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>}	103.4290	0.314	2	103.4290	0.099	2	103.0470	0.487	3	102.5065	1.493	4	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(H)	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|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>}	101.6360	0.000	1	101.6360	0.000	1	101.6360	0.000	1	102.2854	0.356	9	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5]C[6a]C[5])(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5]C[6a]C[5])(H){1|O<1>,2|H<1>,7|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|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>}	102.1380	0.000	1	102.1380	0.000	1	102.1380	0.000	1	102.2854	0.356	9	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[5a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5a]N[5a]2)(H)	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5a]N[5a]2)(H){1|O<1>,2|H<1>,6|C<3>}	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,4|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>}	101.9920	0.000	1	101.9920	0.000	1	101.9920	0.000	1	102.2854	0.356	9	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:B[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,6a]C[6a]H)(B[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(B[5]C[5,6a]C[6a])(C[6a]C[6a]2){2|C<4>,8|C<3>}	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>}	102.7827	0.180	3	102.7827	0.032	3	102.7827	0.032	3	102.2854	0.356	9	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|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>}	101.4430	0.000	1	102.1517	0.731	3	102.1517	0.731	3	102.2854	0.356	9	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|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>}	103.1010	0.000	1	102.1517	0.731	3	102.1517	0.731	3	102.2854	0.356	9	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<1>,3|H<1>,6|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|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>}	101.9110	0.000	1	102.1517	0.731	3	102.1517	0.731	3	102.2854	0.356	9	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:B[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H)	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3){2|C<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>}	104.1180	0.000	1	104.2175	0.020	2	104.2175	0.020	2	103.0760	3.919	3	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:B[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H)	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3){2|C<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>}	104.3170	0.000	1	104.2175	0.020	2	104.2175	0.020	2	103.0760	3.919	3	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCH)(H)	N[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCH)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]HH){2|C<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>}	100.7930	0.000	1	100.7930	0.000	1	100.7930	0.000	1	103.0760	3.919	3	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:B[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]B[5]C)(H)	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]B[5]C)(H){1|B<4>,1|C<4>,1|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC[6a]HH){1|N<3>,5|C<3>}	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>}	103.2980	0.000	1	103.2980	0.000	1	103.2980	0.000	1	101.0361	0.598	14	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:4:	3:4:3:	C[5,6a]-3:C[5a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(H)	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CCHH){1|S<2>,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>}	100.8840	0.000	1	100.8840	0.000	1	100.8840	0.000	1	101.0361	0.598	14	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:4:	3:4:3:	C[5,6a]-3:C[6]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(N[5]C[5]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>,2|O<1>}	N[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O)(CCHH){4|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>}	101.8520	0.000	1	101.8520	0.000	1	101.8520	0.000	1	101.0361	0.598	14	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|H<1>,2|C<3>,2|O<1>,3|N<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]HH){4|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>}	101.1620	0.000	1	101.2453	0.009	3	101.2453	0.009	3	101.0361	0.598	14	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]HH){4|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>}	101.2230	0.000	1	101.2453	0.009	3	101.2453	0.009	3	101.0361	0.598	14	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]HH){4|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>}	101.3510	0.000	1	101.2453	0.009	3	101.2453	0.009	3	101.0361	0.598	14	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(SC[6a]OO){4|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>}	100.5160	0.000	1	100.5920	0.035	8	100.5920	0.035	8	101.0361	0.598	14	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(SC[6a]OO){4|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>}	100.6150	0.000	1	100.5920	0.035	8	100.5920	0.035	8	101.0361	0.598	14	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(SC[6a]OO){4|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>}	100.6008	0.218	6	100.5920	0.035	8	100.5920	0.035	8	101.0361	0.598	14	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CC)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	101.9930	0.000	1	101.9930	0.000	1	101.9930	0.000	1	101.9930	0.000	1	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCH)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCH)(H){3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	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>}	101.8795	0.359	2	101.8795	0.129	2	101.8795	0.129	2	101.8795	0.129	2	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:S[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NC[6]H)(H)	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NC[6]H)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CC[6a]HH){2|C<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>}	103.3970	0.000	1	103.3970	0.000	1	103.3970	0.000	1	103.3970	0.000	1	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,6a]C[6a]H)2(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){4|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C[6a]H)2(SC[6a]OO){6|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|S<4>,3|H<1>,4|C<3>}	100.8030	0.339	2	100.8030	0.115	2	100.8030	0.115	2	100.8030	0.115	2	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O){1|H<1>,1|N<2>,6|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>}	100.3990	0.000	1	100.3990	0.000	1	100.3990	0.000	1	100.3990	0.000	1	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:2:	4:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-2:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(CC)	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(CC){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(H){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|O<1>,3|C<3>,3|H<1>}	100.2600	0.000	1	100.2600	0.000	1	100.2600	0.000	1	100.6759	0.145	9	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:2:	4:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(H){4|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>}	100.6750	0.000	1	100.6750	0.000	1	100.7279	0.138	8	100.6759	0.145	9	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:2:	4:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(H){4|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>}	100.7220	0.000	1	100.7354	0.161	7	100.7279	0.138	8	100.6759	0.145	9	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:2:	4:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(OH){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(H){4|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>}	100.7377	0.439	6	100.7354	0.161	7	100.7279	0.138	8	100.6759	0.145	9	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:2:	4:3:2:	3:3:4:	C[5,6a]-3:N[5]-3:C-3:O-2:	C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[3]O)(OH)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[3]O)(OH){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC){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>}	99.3712	0.000	1	99.3712	0.000	1	99.3712	0.000	1	99.3712	0.000	1	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|O<1>,3|H<1>,6|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|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>}	100.8090	0.000	1	100.8090	0.000	1	100.6577	0.199	4	100.6577	0.199	4	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|Br<1>,1|O<1>,2|H<1>,6|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|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>}	101.2200	0.000	1	101.2200	0.000	1	100.6577	0.199	4	100.6577	0.199	4	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:O-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(OH){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|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>}	100.3010	0.055	2	100.3010	0.003	2	100.6577	0.199	4	100.6577	0.199	4	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:2:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]O)(OH)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]O)(OH){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){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|H<1>,1|O<1>,1|O<2>}	101.4320	0.000	1	101.4320	0.000	1	101.8797	0.214	3	101.8797	0.214	3	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:2:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CNO)(OH)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]N)(CC3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CNO)(OH){1|H<1>,1|N<2>,2|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]N)(CC3){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|N<2>,2|H<1>}	102.1035	0.357	2	102.1035	0.128	2	101.8797	0.214	3	101.8797	0.214	3	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:2:	4:3:4:	3:4:3:	C[5,6a]-3:C[5a]-3:N[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(N[5]C[5]C)(OH)	N[5](C[5]C[5,6a]C[5a]O)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]O)(C[6a]C[6a]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(N[5]C[5]C)(OH){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5a]O)(C[5]C[5,6a]O)(CCHH){1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]O)(C[6a]C[6a]Cl){2|Cl<1>,1|C<4>,1|O<1>,1|O<2>,2|C<3>}	100.5570	0.000	1	100.5570	0.000	1	100.5570	0.000	1	100.4820	0.184	8	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:2:	4:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCCH){4|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>}	100.7300	0.000	1	100.7300	0.000	1	100.5987	0.120	6	100.4820	0.184	8	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:2:	4:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCHH){4|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>}	100.4070	0.000	1	100.4070	0.000	1	100.5987	0.120	6	100.4820	0.184	8	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:2:	4:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CC[6a]HH){4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]N){1|C<4>,1|O<1>,4|C<3>}	100.4095	0.530	2	100.4095	0.281	2	100.5987	0.120	6	100.4820	0.184	8	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:2:	4:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|Br<1>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CC[6a]HH){4|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>}	101.0370	0.000	1	100.8180	0.096	2	100.5987	0.120	6	100.4820	0.184	8	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:2:	4:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CC[6a]HH){4|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>}	100.5990	0.000	1	100.8180	0.096	2	100.5987	0.120	6	100.4820	0.184	8	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:2:	4:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[5]-4:C[5]-3:S-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(OH)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(SC[6a]OO){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<1>,1|S<4>,3|C<3>}	99.7067	0.000	1	99.7067	0.000	1	99.7067	0.000	1	100.4820	0.184	8	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:2:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-3:O-2:	C[5]-4:C[5]-4:S[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S[5])(COO)(OO)	N[5](C[5]C[5,6a]CO)(C[5]C[5]O[5]H)(S[5]C[5,6a]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S[5])(COO)(OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	N[5](C[5]C[5,6a]CO)(C[5]C[5]O[5]H)(S[5]C[5,6a]OO){2|C<3>,2|C<4>,2|H<1>}	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>}	104.8950	0.000	1	104.8950	0.000	1	104.8950	0.000	1	104.8950	0.000	1	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:3:	3:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:C-3:C-3:	C[5,6a]-3:C[5]-4:C-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(COO)2	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(CC[6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(COO)2{1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CC)(CC[6a]O){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]N[5]CC){1|H<1>,4|C<3>}	102.4850	0.000	1	102.4850	0.000	1	102.4850	0.000	1	102.4850	0.000	1	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:N[5a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[5,6a]C[6a]N[5a])(C[5]C[5,6a]O)(H)	C[5,6a](C[5]C[6a]N[5a]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H){1|O<1>,4|H<1>,7|C<3>}	N[5](C[5]C[5,6a]C[6a]N[5a])(C[5]C[5,6a]O)(H){6|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>}	101.1720	0.000	1	101.1720	0.000	1	101.1720	0.000	1	101.1720	0.000	1	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)2	N[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]Cu)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]2)2{1|Cu<3>,5|H<1>,8|C<3>}	N[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]Cu)(C[6a]C[6a]2){2|C<4>,8|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>}	99.0091	0.000	1	99.0091	0.000	1	99.0091	0.000	1	99.0091	0.000	1	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:3:	4:3:4:	3:4:3:	C[5,6a]-3:C[5]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(N[5]C[5]C)(CNO)	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(N[5]C[5]C)(CNO){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)(CCHH){1|N<2>,3|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>}	101.4310	0.000	1	101.4310	0.000	1	101.4310	0.000	1	101.0240	0.142	3	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:3:	4:3:4:	3:4:3:	C[5,6a]-3:C[5a]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(CCN)	N[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(CCN){1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(CC[6a]HH){1|S<2>,3|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|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	100.9550	0.000	1	100.9550	0.000	1	100.9550	0.000	1	101.0240	0.142	3	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:3:	4:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCH)	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCH){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(CCHH){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>}	100.6860	0.000	1	100.6860	0.000	1	100.6860	0.000	1	101.0240	0.142	3	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-3:	C[5]-4:S[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]C)(COO)	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]F)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]C)(COO){1|F<1>,2|H<1>,2|O<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH){4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]F){1|C<4>,2|F<1>,2|O<1>,3|C<3>}	104.0500	0.000	1	104.0500	0.000	1	104.0500	0.000	1	104.0500	0.000	1	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:4:	4:3:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(CH3)	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(CH3){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(H){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|O<1>,3|C<3>,3|H<1>}	100.3200	0.000	1	100.3200	0.000	1	100.3200	0.000	1	100.3200	0.000	1	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:4:	4:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCCH)	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCCH){1|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(CH3){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>}	100.6690	0.363	2	100.6690	0.132	2	100.6690	0.132	2	100.6690	0.132	2	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:4:	4:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-4:	C[5]-4:S[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]H)(CCHH)	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]H)(CCHH){2|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(H){4|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>}	103.1720	0.000	1	103.1720	0.000	1	103.1720	0.000	1	103.1720	0.000	1	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	3:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	B[5]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(CH3)(H)	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(CH3)(H){1|H<1>,5|C<3>}	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]2){2|C<4>,6|C<3>}	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>}	103.1330	0.000	1	103.1330	0.000	1	103.1330	0.000	1	101.9875	2.624	2	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	3:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O){1|H<1>,1|N<2>,4|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>}	100.8420	0.000	1	100.8420	0.000	1	100.8420	0.000	1	101.9875	2.624	2	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	3:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	B[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC3)(H)	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC3)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC3)(H){1|H<1>,3|C<3>}	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC3){4|C<3>}	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>}	103.1130	0.000	1	103.1130	0.000	1	103.5935	0.462	2	103.5935	0.462	2	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	3:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	B[5]-3:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CH3)(H)	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC3)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CH3)(H){1|H<1>,3|C<3>}	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC3){4|C<3>}	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>}	104.0740	0.000	1	104.0740	0.000	1	103.5935	0.462	2	103.5935	0.462	2	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:2:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:S[5]-2:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]S)(CCCH)(H)	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a])(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]S)(CCCH)(H){1|H<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a])(SC[6a]OO){2|C<3>}	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>}	104.9600	0.000	1	104.9600	0.000	1	104.9600	0.000	1	104.9600	0.000	1	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCCO)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCCO)(H){1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	101.1800	0.000	1	101.1800	0.000	1	101.4070	0.030	5	101.7993	0.947	6	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHN)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHN)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H){2|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>}	101.5240	0.000	1	101.5240	0.000	1	101.4070	0.030	5	101.7993	0.947	6	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H){2|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>}	101.5330	0.038	2	101.5330	0.001	2	101.4070	0.030	5	101.7993	0.947	6	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HO)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HO)(H){1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	101.2650	0.000	1	101.2650	0.000	1	101.4070	0.030	5	101.7993	0.947	6	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:S[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCCH)(H)	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCCH)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]O)(H){2|C<3>}	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>}	103.7610	0.000	1	103.7610	0.000	1	103.7610	0.000	1	101.7993	0.947	6	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:3:2:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]HH)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(OC){2|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>,1|O<2>,2|H<1>}	99.7071	0.000	1	99.7071	0.000	1	99.9527	0.086	3	99.9527	0.086	3	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:3:2:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CHHS)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CHHS)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(OC){2|C<3>}	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>}	99.8739	0.000	1	100.0755	0.081	2	99.9527	0.086	3	99.9527	0.086	3	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:3:2:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CHHS)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CHHS)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(OC){2|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>,1|O<2>,2|H<1>}	100.2770	0.000	1	100.0755	0.081	2	99.9527	0.086	3	99.9527	0.086	3	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(COO){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>}	101.3380	0.000	1	101.3380	0.000	1	101.6015	0.139	2	101.2689	0.356	14	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CHHS)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CHHS)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCO){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>}	101.8650	0.000	1	101.8650	0.000	1	101.6015	0.139	2	101.2689	0.356	14	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|F<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	100.2360	0.000	1	100.2360	0.000	1	101.3974	0.418	8	101.2689	0.356	14	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|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>}	101.8080	0.000	1	101.6224	0.327	5	101.3974	0.418	8	101.2689	0.356	14	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|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>}	101.5760	0.649	4	101.6224	0.327	5	101.3974	0.418	8	101.2689	0.356	14	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHO)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHO)(H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	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>}	101.4155	0.138	2	101.4155	0.019	2	101.3974	0.418	8	101.2689	0.356	14	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NCH){2|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|N<3>,1|O<1>,2|H<1>}	101.3480	0.000	1	101.3480	0.000	1	100.8455	0.163	4	101.2689	0.356	14	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NC[6a]H){2|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|N<3>,1|O<1>,2|H<1>}	100.6780	0.275	3	100.6780	0.076	3	100.8455	0.163	4	101.2689	0.356	14	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HO)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HO)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH){2|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|C<4>,1|O<1>,2|H<1>}	101.4390	0.497	3	101.4390	0.247	3	101.4390	0.247	3	101.0743	0.506	6	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[6,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]C)(CH3)(H){1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C[5,6a](C[6,6a]C[6,6a]O[6])(C[5,6a]C[6a]C[5])(C[5]N[5]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	101.1280	0.000	1	101.1280	0.000	1	101.1280	0.000	1	101.0743	0.506	6	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CSeHH)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CSeHH)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(SC[6a]OO){2|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>,1|S<4>,2|H<1>}	101.1980	0.000	1	101.1980	0.000	1	101.1980	0.000	1	101.0743	0.506	6	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)(O)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){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>}	99.8030	0.000	1	99.8030	0.000	1	99.8030	0.000	1	101.0743	0.506	6	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5,6a]CH)2(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]CH)2(COO){2|C<3>}	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>}	102.1830	0.000	1	102.1830	0.000	1	102.7660	0.680	2	102.7660	0.680	2	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(H)	N[5](C[5]C[5,6a]CH)2(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]CH)2(COO){2|C<3>}	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>}	103.3490	0.000	1	103.3490	0.000	1	102.7660	0.680	2	102.7660	0.680	2	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:2:	4:3:2:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:O-2:	C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CBr2C)(OH)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CBr2C)(OH){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC){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>}	99.4021	0.000	1	99.4021	0.000	1	99.4021	0.000	1	99.4021	0.000	1	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:2:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)(OH)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)(OH){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){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>}	101.0475	0.503	2	101.0475	0.253	2	100.9161	0.101	10	100.9161	0.101	10	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:2:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(OH)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(OH){1|Cl<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]CO){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	100.4960	0.000	1	100.4960	0.000	1	100.9161	0.101	10	100.9161	0.101	10	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:2:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(OH)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(OH){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CC[6a]HH){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>}	101.2190	0.284	2	101.2190	0.081	2	100.9161	0.101	10	100.9161	0.101	10	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:2:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(OH)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(OH){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CH3){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>}	100.8375	0.207	2	100.8375	0.043	2	100.9161	0.101	10	100.9161	0.101	10	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:2:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(OH)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(OH){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CC[6a]HH){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>}	100.6520	0.000	1	100.6520	0.000	1	100.9161	0.101	10	100.9161	0.101	10	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:2:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CHHN)(OH)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CHHN)(OH){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){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>}	100.9025	0.228	2	100.9025	0.052	2	100.9161	0.101	10	100.9161	0.101	10	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:3:	4:3:2:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:N-3:	C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]2H)(NC[6a]H)	N[5](C[5]C[5,6a]CN)(C[5]C[5,6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]2H)(NC[6a]H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CN)(C[5]C[5,6a]O)(OC){2|C<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>}	98.1433	0.000	1	98.1433	0.000	1	98.1433	0.000	1	98.1433	0.000	1	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:3:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-3:	C[5]-4:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(COO)	N[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(COO){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(SC[6a]OO){2|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>}	101.0660	0.000	1	101.0660	0.000	1	101.0660	0.000	1	101.0660	0.000	1	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:3:	4:4:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-3:	C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HH)(COO)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CC)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HH)(COO){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CC)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]N[5]CC){1|O<2>,2|H<1>,3|C<3>}	101.0140	0.000	1	101.0140	0.000	1	101.0140	0.000	1	102.7330	5.910	2	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:3:	4:4:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-3:	C[5]-4:S[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCCH)(COO)	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCCH)(COO){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(H){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>}	104.4520	0.000	1	104.4520	0.000	1	104.4520	0.000	1	102.7330	5.910	2	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:4:	4:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)(CH3)	N[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)(CH3){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(H){2|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|C<4>,1|O<1>,2|H<1>}	100.7220	0.000	1	100.6325	0.016	2	100.6325	0.016	2	100.6325	0.016	2	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:4:	4:3:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)(CH3)	N[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)(CH3){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(H){2|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>,3|H<1>}	100.5430	0.000	1	100.6325	0.016	2	100.6325	0.016	2	100.6325	0.016	2	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:4:	4:4:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2	N[5](C[5]C[5,6a]CC)2(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2{2|C<4>,3|C<3>}	N[5](C[5]C[5,6a]CC)2(O){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]CC){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	99.6788	0.151	2	99.6788	0.023	2	99.6107	0.130	20	99.6107	0.130	20	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:4:	4:4:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2	N[5](C[5]C[5,6a]CC)2(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6a]CC)2(O){2|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|H<1>,1|N<3>,1|O<1>,2|C<4>}	98.9686	0.000	1	99.6032	0.144	18	99.6107	0.130	20	99.6107	0.130	20	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:4:	4:4:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2	N[5](C[5]C[5,6a]CC)2(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6a]CC)2(O){2|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>,2|C<4>,2|H<1>}	99.5706	0.349	13	99.6032	0.144	18	99.6107	0.130	20	99.6107	0.130	20	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:4:	4:4:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2	N[5](C[5]C[5,6a]CC)2(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6a]CC)2(O){2|C<3>}	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>}	99.8677	0.309	4	99.6032	0.144	18	99.6107	0.130	20	99.6107	0.130	20	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:4:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-4:P-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(CH3)2	N[5](C[5]C[5,6a]CC)2(PC[6a]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6a]CC)2(PC[6a]2O){2|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|P<4>,2|C<4>,2|H<1>}	101.0050	0.250	2	101.0050	0.063	2	101.0050	0.063	2	101.0050	0.063	2	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:4:3:1:	4:3:1:	3:3:4:	C[5,6a]-3:C-4:N[5]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a]H)(N[5]C[5]H)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a]H)(N[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H){2|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>}	101.8410	0.000	1	101.8410	0.000	1	101.8410	0.000	1	101.8410	0.000	1	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:4:3:1:	4:3:4:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:B[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H)	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC3)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H){1|B<3>,1|C<4>,1|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC3){1|H<1>,1|N<3>,5|C<3>}	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>}	103.8380	0.157	2	103.8380	0.025	2	103.8380	0.025	2	102.6298	2.627	4	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:4:3:1:	4:3:4:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[5]C[5]C)(H)	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(CCHH){1|H<1>,1|O<2>,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<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	102.4260	0.000	1	102.4260	0.000	1	102.4260	0.000	1	102.6298	2.627	4	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:4:3:1:	4:3:4:	3:4:3:	C[5,6a]-3:C[6]-4:N[5]-3:H-1:	C[5]-4:C[5]-3:S-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(N[5]C[5]S)(H)	N[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(N[5]C[5]S)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	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>}	100.4170	0.000	1	100.4170	0.000	1	100.4170	0.000	1	102.6298	2.627	4	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:4:3:2:	4:3:4:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(N[5]C[5]C)(OH)	N[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]O)(C[6a]C[6a]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(N[5]C[5]C)(OH){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,3|C<3>}	N[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(CCHH){1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]O)(C[6a]C[6a]Cl){2|Cl<1>,1|C<3>,1|N<2>,1|O<1>,3|C<4>}	100.3660	0.000	1	100.3660	0.000	1	100.2694	0.248	3	100.3820	0.198	5	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:4:3:2:	4:3:4:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(N[5]C[5]C)(OH)	N[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]O)(C[6a]C[6a]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(N[5]C[5]C)(OH){1|Cl<1>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(CCHH){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]O)(C[6a]C[6a]Cl){2|Cl<1>,1|O<1>,2|C<3>,3|C<4>}	100.2210	0.694	2	100.2210	0.482	2	100.2694	0.248	3	100.3820	0.198	5	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:4:3:2:	4:3:4:	3:4:3:	C[5,6a]-3:C[6]-4:N[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2O)(N[5]C[5]C)(OH)	N[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2O)(N[5]C[5]C)(OH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]O)(CH3){1|O<2>,2|C<3>,2|C<4>}	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>}	100.5510	0.450	2	100.5510	0.202	2	100.5510	0.202	2	100.3820	0.198	5	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	3:4:3:3:	4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:C-3:	C[5]-4:S[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(N[5]S[5]H)(COO)	N[5](C[5]C[5,6a]C[5]C)(S[5]C[5,6a]OO)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(N[5]S[5]H)(COO){3|H<1>,3|O<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5]C)(S[5]C[5,6a]OO)(H){1|C<4>,1|F<1>,3|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>}	105.6940	0.000	1	105.6940	0.000	1	105.6940	0.000	1	105.6940	0.000	1	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	4:3:3:4:	4:3:3:	3:4:3:	C[6,6]-4:C[5,6a]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6,6]C[3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	N[5](C[5]C[5,6a]C[6,6]C)(C[5]C[5,6a]O)(CHO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]N[5]C)(C[6a]C[6a]H)	C[5](C[6,6]C[3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6,6]C)(C[5]C[5,6a]O)(CHO){1|H<1>,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>}	100.1610	0.041	2	100.2230	0.012	3	100.2230	0.012	3	100.2230	0.012	3	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP2	C[5]	N[5]	C[5,6a]	4:3:3:4:	4:3:3:	3:4:3:	C[6,6]-4:C[5,6a]-3:N[5]-3:C-4:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[6,6]C[3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)	N[5](C[5]C[5,6a]C[6,6]C)(C[5]C[5,6a]O)(CHO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]N[5]C)(C[6a]C[6a]H)	C[5](C[6,6]C[3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[5,6a]C[6,6]C)(C[5]C[5,6a]O)(CHO){1|H<1>,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>}	100.3470	0.000	1	100.2230	0.012	3	100.2230	0.012	3	100.2230	0.012	3	101.7405	1.800	310	101.2806	2.185	524
474	542	727	5:SP3_SP2_SP3	C[3x5,6]	N[5,5,6]	C[5,6a]	3:3:3:4:	4:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:N[5,5,6]-3:C[5,5]-4:	C[3x5,6]-4:C[5,6]-4:S[5]-4:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[5,5,6]C[5,6]S[5])(C[5,5]C[5,5,6]CH)	N[5,5,6](C[3x5,6]C[5,6,6a]C[5,6a]C[5,5])(C[5,6]C[5,5,6]CH)(S[5]C[5,6a]OO)	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)	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[5,5,6]C[5,6]S[5])(C[5,5]C[5,5,6]CH){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	N[5,5,6](C[3x5,6]C[5,6,6a]C[5,6a]C[5,5])(C[5,6]C[5,5,6]CH)(S[5]C[5,6a]OO){1|H<1>,2|C<4>,4|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>}	106.6320	0.000	1	106.6320	0.000	1	106.6320	0.000	1	106.6320	0.000	1	106.6320	0.000	1	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[3x5]	N[5,5]	C[5,6a]	3:4:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-4:	C[3x5]-4:C[5,6a]-3:C[5]-3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(N[5,5]C[5,6a]C[5])(C[5]C[5]HH)	N[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	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)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(N[5,5]C[5,6a]C[5])(C[5]C[5]HH){1|O<1>,4|C<3>,5|H<1>}	N[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){1|C<2>,2|C<4>,3|H<1>,4|C<3>}	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>}	102.1320	0.000	1	102.1320	0.000	1	102.1320	0.000	1	102.1320	0.000	1	102.1320	0.000	1	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5,6]	N[5,5]	C[5,6,6a]	3:3:3:1:	4:4:2:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:N-2:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]N)(H)	N[5,5](C[5,5,6]C[5,6,6a]2H)2(NC)	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)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]N)(H){3|H<1>,4|C<3>}	N[5,5](C[5,5,6]C[5,6,6a]2H)2(NC){4|C<3>}	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>}	98.9965	2.775	7	98.9965	7.702	7	98.9965	7.702	7	98.9965	7.702	7	99.8988	8.408	30	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5,6]	N[5,5]	C[5,6,6a]	3:3:3:1:	4:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:P[5,5]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]P[5,5])(H)	N[5,5](C[5,5,6]C[5,6,6a]2H)2(P[5,5]C[5,5,6]2)	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)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]P[5,5])(H){2|C<4>,3|H<1>,4|C<3>}	N[5,5](C[5,5,6]C[5,6,6a]2H)2(P[5,5]C[5,5,6]2){2|H<1>,8|C<3>}	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>}	99.1095	1.320	4	99.1095	1.742	4	99.1095	1.742	4	99.1095	1.742	4	99.8988	8.408	30	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5,6]	N[5,5]	C[5,6,6a]	3:3:4:1:	4:4:3:	3:4:3:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(COO)	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)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|P<3>,2|C<3>,3|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(COO){1|P<3>,2|C<3>,3|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>}	98.6592	0.000	1	98.6592	0.000	1	98.7478	0.016	2	98.7478	0.016	2	99.8988	8.408	30	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5,6]	N[5,5]	C[5,6,6a]	3:3:4:1:	4:4:3:	3:4:3:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HP)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(COO)	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)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HP)(H){2|C<3>,4|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(COO){1|P<3>,2|C<3>,3|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>}	98.8365	0.000	1	98.8365	0.000	1	98.7478	0.016	2	98.7478	0.016	2	99.8988	8.408	30	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5,6]	N[5,5]	C[5,6,6a]	3:3:4:1:	4:4:4:	3:4:3:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:S-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]CH)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(SC[6a]OO)	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)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]CH)(H){2|C<3>,4|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(SC[6a]OO){1|C<4>,2|C<3>,3|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>}	102.1220	0.000	1	102.1220	0.000	1	102.1500	0.002	2	102.1500	0.002	2	99.8988	8.408	30	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5,6]	N[5,5]	C[5,6,6a]	3:3:4:1:	4:4:4:	3:4:3:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:S-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]HH)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(SC[6a]OO)	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)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(SC[6a]OO){1|C<4>,2|C<3>,3|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>}	102.1780	0.000	1	102.1780	0.000	1	102.1500	0.002	2	102.1500	0.002	2	99.8988	8.408	30	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5,6]	N[5,5]	C[5,6,6a]	3:4:3:1:	4:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HS)(N[5,5]C[5,5,6]C)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,5,6]C[5,6,6a]C[5,6]H)(COO)	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)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HS)(N[5,5]C[5,5,6]C)(H){2|C<3>,2|H<1>,2|O<2>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,5,6]C[5,6,6a]C[5,6]H)(COO){1|H<1>,1|S<4>,2|C<3>,2|O<2>}	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>}	102.2490	0.000	1	102.2490	0.000	1	102.2490	0.000	1	102.2490	0.000	1	99.8988	8.408	30	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5,6]	N[5,5]	C[5,6,6a]	3:4:3:1:	4:4:3:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]O[5]2)(N[5,5]C[5,5,6]C)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,5,6]C[5,6,6a]C[5,6]H)(COO)	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)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]O[5]2)(N[5,5]C[5,5,6]C)(H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,5,6]C[5,6,6a]C[5,6]H)(COO){1|H<1>,1|S<4>,2|C<3>,2|O<2>}	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>}	101.8690	0.000	1	101.8690	0.000	1	101.8690	0.000	1	101.8690	0.000	1	99.8988	8.408	30	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5,6]	N[5,5]	C[5,6,6a]	3:4:3:1:	4:4:4:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:P-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]PdH)(N[5,5]C[5,5,6]P)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(PC[6a]2Pd)	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)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]PdH)(N[5,5]C[5,5,6]P)(H){2|C<3>,3|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(PC[6a]2Pd){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){1|Pd<5>,1|C<3>,1|C<4>,1|P<4>,4|H<1>}	97.9998	0.555	2	98.2214	0.270	6	98.2214	0.270	6	98.2214	0.270	6	99.8988	8.408	30	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5,6]	N[5,5]	C[5,6,6a]	3:4:3:1:	4:4:4:	3:4:3:	C[5,6,6a]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:P-4:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]PdH)(N[5,5]C[5,5,6]P)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(PC[6a]2Pd)	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)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]PdH)(N[5,5]C[5,5,6]P)(H){2|C<3>,3|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(PC[6a]2Pd){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){1|Pd<6>,1|C<3>,1|C<4>,1|P<4>,4|H<1>}	98.3322	0.546	4	98.2214	0.270	6	98.2214	0.270	6	98.2214	0.270	6	99.8988	8.408	30	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5,6]	N[5,5]	C[5,6,6a]	3:4:3:1:	4:4:4:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(CCHH)	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)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(CCHH){2|H<1>,4|C<3>}	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>}	99.3413	0.287	4	99.3413	0.082	4	99.3413	0.082	4	99.8454	1.332	5	99.8988	8.408	30	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5,6]	N[5,5]	C[5,6,6a]	3:4:3:1:	4:4:4:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:S-4:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]S)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)(C[5,5,6]C[5,6,6a]C[5,5,6]H)(SC[6a]OO)	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)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]S)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)(C[5,5,6]C[5,6,6a]C[5,5,6]H)(SC[6a]OO){2|H<1>,4|C<3>}	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>}	101.8620	0.000	1	101.8620	0.000	1	101.8620	0.000	1	99.8454	1.332	5	99.8988	8.408	30	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5,6]	N[5,5]	C[5,6,6a]	3:4:3:4:	4:4:4:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:S-4:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]S)(CH3)	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)(C[5,5,6]C[5,6,6a]C[5,5,6]H)(SC[6a]OO)	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)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]S)(CH3){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)(C[5,5,6]C[5,6,6a]C[5,5,6]H)(SC[6a]OO){2|H<1>,4|C<3>}	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>}	101.5300	0.000	1	101.5300	0.000	1	101.5300	0.000	1	101.5300	0.000	1	99.8988	8.408	30	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5,6]	N[5,5]	C[5,6,6a]	4:3:3:1:	4:3:4:	4:3:3:	C[5,5,6]-4:C[5,6,6a]-3:N[5,5]-3:H-1:	C[5,5,6]-4:Ge[5,5,6]-3:C-4:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]N[5,5,6]C[5,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]Ge[5,5,6]C)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(Ge[5,5,6]C[5,6,6a]N[5,5,6])(CC3)	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)	C[5,5,6](C[5,5,6]N[5,5,6]C[5,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]Ge[5,5,6]C)(H){1|Ge<2>,1|C<4>,1|H<1>,4|C<3>}	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(Ge[5,5,6]C[5,6,6a]N[5,5,6])(CC3){1|Ge<2>,1|C<4>,1|H<1>,3|C<3>}	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>}	111.5500	0.000	1	111.5500	0.000	1	111.5500	0.000	1	111.5500	0.000	1	99.8988	8.408	30	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:2:4:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:O[5]-2:C-4:	C[5,5]-4:C[5,6]-4:S[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(O[5]C[5,6])(CF3)	N[5,5](C[5,5]C[5,6a]O[5]C)(C[5,6]C[5,6]C[6]H)(S[5]C[5,6a]OO)	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(O[5]C[5,6])(CF3){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[5,5](C[5,5]C[5,6a]O[5]C)(C[5,6]C[5,6]C[6]H)(S[5]C[5,6a]OO){1|C<4>,2|H<1>,4|C<3>}	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>}	108.1140	0.000	1	108.1140	0.000	1	108.1140	0.000	1	108.2250	0.025	2	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:2:4:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:O[5]-2:C-4:	C[5,5]-4:S[5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(O[5]C[5])(CF3)	N[5,5](C[5,5]C[5,6a]O[5]C)(S[5]C[5,6a]OO)(C[5]C[5]CH)	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(O[5]C[5])(CF3){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	N[5,5](C[5,5]C[5,6a]O[5]C)(S[5]C[5,6a]OO)(C[5]C[5]CH){2|C<3>,2|H<1>}	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>}	108.3360	0.000	1	108.3360	0.000	1	108.3360	0.000	1	108.2250	0.025	2	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:O-2:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH)	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH){1|H<1>,1|O<1>,4|C<3>}	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O){1|O<1>,5|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>}	103.2960	0.000	1	103.2960	0.000	1	103.2960	0.000	1	103.2960	0.000	1	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]O)(OH)	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]O)(OH){1|O<1>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5])(C[5]C[5,6a]O){1|H<1>,1|O<1>,4|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>}	102.8900	0.000	1	102.8900	0.000	1	102.8900	0.000	1	102.8900	0.000	1	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:2:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5,5]-3:O[5]-2:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5])	N[5,5](C[5,5]C[5,6a]C[6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5]){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]CH){1|O<1>,4|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>}	103.0410	0.000	1	103.0410	0.000	1	103.0410	0.000	1	102.2580	1.226	2	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:2:	4:3:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:O-2:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]C)(OH)	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]CC)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]C)(OH){1|O<1>,2|H<1>,4|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]CC){1|H<1>,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>}	101.4750	0.000	1	101.4750	0.000	1	101.4750	0.000	1	102.2580	1.226	2	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:3:	3:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	N[5,5]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5,5]N[5,5]C[5])	N[5,5](N[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]3)(C[5]C[6a]2N[5])	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)	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5,5]N[5,5]C[5]){1|N<3>,3|H<1>,9|C<3>}	N[5,5](N[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]3)(C[5]C[6a]2N[5]){11|C<3>,1|O<1>}	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>}	99.1669	0.000	1	99.1669	0.000	1	99.1669	0.000	1	99.1669	0.000	1	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5,5]N[5,5]C[5])(C[5]N[5]O)	N[5,5](C[5,5]C[5,6a]2C[5])(N[5,5]C[5,6a]C[5])(C[5]C[5]CH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5,5]N[5,5]C[5])(C[5]N[5]O){3|C<4>,3|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]2C[5])(N[5,5]C[5,6a]C[5])(C[5]C[5]CH){1|N<3>,2|H<1>,2|O<1>,4|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>}	100.7530	0.000	1	100.7530	0.000	1	100.7530	0.000	1	100.7530	0.000	1	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[6a]-3:C[5]-3:	C[5,5]-4:S[5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]C)	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(S[5]C[5,6a]OO)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]C){2|O<1>,4|C<3>,6|H<1>}	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(S[5]C[5,6a]OO)(C[5]C[5]HH){1|H<1>,5|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>}	105.6860	0.000	1	105.6860	0.000	1	105.6860	0.000	1	105.6860	0.000	1	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]C)(CH3)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]C)(CH3){1|N<3>,1|O<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|H<1>,5|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	101.7190	0.000	1	101.7190	0.000	1	101.4970	0.099	2	102.1587	1.363	3	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]C)(CH3)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]C)(CH3){1|N<3>,1|O<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|H<1>,5|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	101.2750	0.000	1	101.2750	0.000	1	101.4970	0.099	2	102.1587	1.363	3	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:P-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(PO3)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]P)(C[5]C[5,6a]O)	C[5,6a](C[5,5]N[5,5]C[5]P)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(PO3){1|H<1>,1|O<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]P)(C[5]C[5,6a]O){1|H<1>,1|O<1>,4|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>}	103.4820	0.000	1	103.4820	0.000	1	103.4820	0.000	1	102.1587	1.363	3	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:3:4:	4:3:3:	C[5,6a]-3:C[6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]HH)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]HH){2|C<4>,2|H<1>,4|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>}	101.5570	0.000	1	101.5570	0.000	1	101.5570	0.000	1	101.5570	0.000	1	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:3:4:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C-4:	C[5,5]-4:S[5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]C)(CCCH)	N[5,5](C[5,5]C[5,6a]C[5]C)(S[5]C[5,6a]OO)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]C)(CCCH){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]C)(S[5]C[5,6a]OO)(C[5]C[5]HH){1|C<4>,1|H<1>,3|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>}	105.6105	0.023	2	105.6105	0.001	2	105.6105	0.001	2	105.6105	0.001	2	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:1:	3:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(H){1|C<4>,2|H<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH){1|H<1>,6|C<3>}	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>}	102.8900	0.000	1	102.8900	0.000	1	102.8900	0.000	1	102.8900	0.000	1	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:1:	4:3:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CC)(H)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CC)(H){1|O<1>,3|C<3>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH){5|C<3>}	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>}	102.4890	0.000	1	102.4890	0.000	1	102.5250	0.003	2	102.5250	0.003	2	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:1:	4:3:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(H)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH){3|C<3>,3|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>}	102.5610	0.000	1	102.5610	0.000	1	102.5250	0.003	2	102.5250	0.003	2	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:1:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:S[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]CH)(H)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]CH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO){1|H<1>,3|C<3>}	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>}	102.6640	0.000	1	102.6640	0.000	1	103.2860	0.228	4	103.2860	0.228	4	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:1:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:S[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO)	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[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO){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]C){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	103.5355	0.395	2	103.5355	0.156	2	103.2860	0.228	4	103.2860	0.228	4	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:1:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:C[5]-4:S[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO){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<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	103.4090	0.000	1	103.4090	0.000	1	103.2860	0.228	4	103.2860	0.228	4	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:2:	4:3:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(OH)	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(OH){1|O<1>,2|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	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>}	101.6650	0.000	1	101.6650	0.000	1	101.5670	0.011	3	101.5670	0.011	3	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:2:	4:3:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:O-2:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CN)(OH)	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CN)(OH){1|O<1>,2|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	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>}	101.5180	0.088	2	101.5180	0.008	2	101.5670	0.011	3	101.5670	0.011	3	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	3:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-3:	C[5,6a]-3:C[5,5]-4:S[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]S[5])(C[5]C[5,6a]HH)(COO)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(S[5]C[5,6a]OO)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]S[5])(C[5]C[5,6a]HH)(COO){1|H<1>,2|O<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(S[5]C[5,6a]OO){3|H<1>,4|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>}	105.7800	0.000	1	105.7800	0.000	1	105.7800	0.000	1	105.7800	0.000	1	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-3:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(CNO)	N[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]HH)(C[5]C[5]O)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(CNO){1|O<1>,3|C<3>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]HH)(C[5]C[5]O){2|H<1>,3|C<3>}	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>}	102.3080	0.000	1	102.3080	0.000	1	102.3080	0.000	1	104.1280	6.625	2	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:3:	4:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-3:	C[5,5]-4:S[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]CH)(COO)	N[5,5](C[5,5]C[5,6a]C[5]C)(S[5]C[5,6a]OO)(C[5]C[5]C)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]CH)(COO){1|H<1>,3|C<3>,3|O<1>}	N[5,5](C[5,5]C[5,6a]C[5]C)(S[5]C[5,6a]OO)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,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>}	105.9480	0.000	1	105.9480	0.000	1	105.9480	0.000	1	104.1280	6.625	2	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:4:	3:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(CH3)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(CH3){1|H<1>,1|O<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	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>}	101.6680	0.000	1	101.6680	0.000	1	101.6462	0.106	6	101.6462	0.106	6	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:4:	3:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CCHH)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CCHH){1|H<1>,1|O<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<4>,2|H<1>,4|C<3>}	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>}	102.2230	0.000	1	102.2230	0.000	1	101.6462	0.106	6	101.6462	0.106	6	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:4:	3:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3){1|H<1>,1|O<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<2>,2|H<1>,4|C<3>}	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>}	101.5400	0.315	2	101.5400	0.099	2	101.6462	0.106	6	101.6462	0.106	6	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:4:	3:4:3:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3){1|H<1>,1|O<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){3|H<1>,4|C<3>}	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>}	101.4530	0.033	2	101.4530	0.001	2	101.6462	0.106	6	101.6462	0.106	6	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:3:4:4:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	C[5,5]-4:S[5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]CH)(CH3)	N[5,5](C[5,5]C[5,6a]C[5]C)(S[5]C[5,6a]OO)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]CH)(CH3){2|O<1>,3|C<3>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]C)(S[5]C[5,6a]OO)(C[5]C[5]HH){1|C<2>,1|H<1>,3|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<2>,1|C<4>,2|C<3>,2|O<1>,3|H<1>}	106.5420	0.000	1	106.5420	0.000	1	106.5420	0.000	1	106.5420	0.000	1	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:4:3:1:	3:4:4:	4:3:3:	C[5,6a]-3:C[5]-4:N[5,5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(N[5,5]C[5,6a]C[5])(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(N[5,5]C[5,6a]C[5])(H){1|C<4>,2|H<1>,6|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH){1|H<1>,6|C<3>}	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>}	103.2010	0.000	1	103.2010	0.000	1	103.2010	0.000	1	103.2010	0.000	1	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:4:3:1:	4:4:4:	4:3:3:	C[5,6a]-3:C[5]-4:N[5,5]-3:H-1:	C[5,5]-4:C[5,6]-4:S[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]S[5])(H)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6]C[6]H)(S[5]C[5,6a]OO)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]S[5])(H){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6]C[6]H)(S[5]C[5,6a]OO){2|C<4>,3|C<3>,4|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>}	106.8360	0.000	1	106.8360	0.000	1	106.8360	0.000	1	106.8360	0.000	1	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2){1|O<1>,3|H<1>,8|C<3>}	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|H<1>,7|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>}	101.5730	0.000	1	101.5730	0.000	1	101.5730	0.000	1	101.5730	0.000	1	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5,5]	C[5,6a]	3:4:3:3:	4:4:3:	4:3:3:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[6a]-3:	C[5,5]-4:S[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,5]C[5]S[5])(C[6a]C[6a]2)	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(S[5]C[5,6a]OO)(C[5]C[5]O)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,5]C[5]S[5])(C[6a]C[6a]2){3|O<1>,5|H<1>,6|C<3>}	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(S[5]C[5,6a]OO)(C[5]C[5]O){3|H<1>,5|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>}	103.3150	0.000	1	103.3150	0.000	1	103.3150	0.000	1	103.3150	0.000	1	103.1584	4.450	39	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,5]-4:N[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C)	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a]P)(CC[6a]2H)	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C){1|P<4>,3|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a]P)(CC[6a]2H){6|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>}	103.2670	0.000	1	103.2670	0.000	1	103.2670	0.000	1	103.2670	0.000	1	104.1453	1.388	11	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CH)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CH)(H){1|N<3>,1|O<1>,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|N<3>,1|O<1>,3|C<3>,4|H<1>}	103.2700	0.000	1	103.2700	0.000	1	103.2700	0.000	1	104.5925	3.498	2	104.1453	1.388	11	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:N[5]-3:	C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]C[5])(N[5]S[5]H)	N[5](C[5,5]C[5,6a]2N[5])(S[5]C[5,6a]OO)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]C[5])(N[5]S[5]H){2|H<1>,3|O<1>,6|C<3>}	N[5](C[5,5]C[5,6a]2N[5])(S[5]C[5,6a]OO)(H){6|C<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>}	105.9150	0.000	1	105.9150	0.000	1	105.9150	0.000	1	104.5925	3.498	2	104.1453	1.388	11	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:S[5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]S[5]C)	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(CH3)	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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]S[5]C){2|H<1>,2|O<1>,5|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(CH3){1|I<1>,5|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>}	104.0200	0.000	1	104.0200	0.000	1	104.0200	0.000	1	104.0200	0.000	1	104.1453	1.388	11	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]CH)(N[5]S[5]H)	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]CH)(N[5]S[5]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H){1|C<4>,1|H<1>,5|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>}	103.3470	0.000	1	103.3470	0.000	1	103.8498	1.782	5	103.8498	1.782	5	104.1453	1.388	11	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(N[5]S[5]H)	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(N[5]S[5]H){1|C<4>,2|H<1>,2|O<1>,5|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H){1|C<4>,2|H<1>,4|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>}	103.4610	0.000	1	103.4610	0.000	1	103.8498	1.782	5	103.8498	1.782	5	104.1453	1.388	11	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H)	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H){2|H<1>,2|O<1>,7|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H){1|H<1>,6|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>}	103.6970	2.290	2	104.1470	3.229	3	103.8498	1.782	5	103.8498	1.782	5	104.1453	1.388	11	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:4:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H)	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H){2|O<1>,3|H<1>,7|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(H){1|C<4>,1|H<1>,5|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>}	105.0470	0.000	1	104.1470	3.229	3	103.8498	1.782	5	103.8498	1.782	5	104.1453	1.388	11	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:S[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FF)(C[5]N[5]O)(N[5]S[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(S[5]C[5,6a]OO)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FF)(C[5]N[5]O)(N[5]S[5]H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(S[5]C[5,6a]OO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|F<1>}	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>}	104.5080	0.000	1	104.5080	0.000	1	104.5080	0.000	1	104.5080	0.000	1	104.1453	1.388	11	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:4:3:3:	4:4:1:	4:3:3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5,5]-4:S[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(N[5]S[5]H)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(S[5]C[5,6a]OO)(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)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(N[5]S[5]H){1|C<4>,2|O<1>,4|C<3>,5|H<1>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(S[5]C[5,6a]OO)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	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>}	105.3690	0.000	1	105.3690	0.000	1	105.3690	0.000	1	105.3690	0.000	1	104.1453	1.388	11	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,6,6]	N[5,6,6]	C[5,6a]	3:3:4:4:	4:4:3:	4:3:3:	C[5,6a]-3:N[5,6,6]-3:C[3x6]-4:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(N[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(CH3)	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)	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)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(N[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(CH3){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(C[5]C[5,6a]O){1|C<4>,3|H<1>,4|C<3>}	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>}	101.9330	0.000	1	101.9330	0.000	1	101.9330	0.000	1	101.9330	0.000	1	101.7655	0.056	2	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,6,6]	N[5,6,6]	C[5,6a]	4:3:3:4:	4:4:3:	4:3:3:	C[3x6]-4:C[5,6a]-3:N[5,6,6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,6,6]C[3x6]C[5])(CH3)	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[3,6,6]C[6,6]H)(C[5]C[5,6a]O)	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)	C[5,6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,6,6]C[3x6]C[5])(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[3,6,6]C[6,6]H)(C[5]C[5,6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	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>}	101.5980	0.000	1	101.5980	0.000	1	101.5980	0.000	1	101.5980	0.000	1	101.7655	0.056	2	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	3:3:3:1:	4:4:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:S[5]-4:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H)	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(S[5]C[5,6a]OO)(C[6]C[6a]N[6])	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]S[5])(H){1|N<2>,2|H<1>,2|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(S[5]C[5,6a]OO)(C[6]C[6a]N[6]){6|C<3>}	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>}	104.6430	0.287	2	104.6430	0.082	2	104.6430	0.082	2	104.6430	0.082	2	102.2016	5.240	14	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	3:3:3:1:	4:4:4:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H)	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(S[6]O[6]OO)	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(S[6]O[6]OO){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>}	101.9610	0.000	1	101.9610	0.000	1	100.9748	0.560	4	100.9748	0.560	4	102.2016	5.240	14	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	3:3:3:1:	4:4:4:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H)	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(S[6]O[6]OO)	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(S[6]O[6]OO){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]H){1|Br<1>,1|C<4>,1|S<4>,2|H<1>,3|C<3>}	100.9030	0.000	1	100.6460	0.191	3	100.9748	0.560	4	100.9748	0.560	4	102.2016	5.240	14	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	3:3:3:1:	4:4:4:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H)	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(S[6]O[6]OO)	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(S[6]O[6]OO){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]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	100.5175	0.532	2	100.6460	0.191	3	100.9748	0.560	4	100.9748	0.560	4	102.2016	5.240	14	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	3:3:3:2:	4:3:4:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:O-2:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH)	N[5,6](C[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|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]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	100.2050	0.000	1	100.2050	0.000	1	100.2050	0.000	1	100.2050	0.000	1	102.2016	5.240	14	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	3:3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[5a]-3:N[5,6]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[5,6a]C[5a,6]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6a](C[5,6]C[5a,6]N[5,6]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6]){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	N[5,6](C[5,6]C[5,6a]C[5a,6]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5a,6]N[5,6]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	100.5120	0.000	1	100.5120	0.000	1	100.5120	0.000	1	100.5120	0.000	1	102.2016	5.240	14	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	3:3:3:3:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6,6]-4:S[5]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)	N[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6]N[6,6]C[6]H)(S[5]C[5,6a]OO)	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|O<1>,4|H<1>,6|C<3>}	N[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6]N[6,6]C[6]H)(S[5]C[5,6a]OO){1|H<1>,8|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>}	101.4360	0.000	1	101.4360	0.000	1	101.4360	0.000	1	101.4360	0.000	1	102.2016	5.240	14	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	3:3:3:4:	4:3:4:	4:3:2:	C[5,6a]-3:N[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:N[6a]-2:	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]O[6]O)(CH3)	N[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CH)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]O[6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|O<1>}	100.5070	0.000	1	100.5070	0.000	1	100.5070	0.000	1	100.5070	0.000	1	102.2016	5.240	14	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	3:3:3:4:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:C-4:	C[5,6]-4:S[5]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)(CH3)	N[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a]OO)(C[6]C[6]HH)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a]OO)(C[6]C[6]HH){1|Br<1>,2|H<1>,3|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>}	104.5600	0.000	1	104.5600	0.000	1	104.5600	0.000	1	104.5600	0.000	1	102.2016	5.240	14	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	3:3:4:2:	4:3:4:	4:3:3:	C[5,6a]-3:N[5,6]-3:C-4:O[6]-2:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(CC[6a]CH)(O[6]C[6])	N[5,6](C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6a](C[5,6]N[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(CC[6a]CH)(O[6]C[6]){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]N[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl){2|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	101.3420	0.000	1	101.3420	0.000	1	101.3420	0.000	1	101.3420	0.000	1	102.2016	5.240	14	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	3:3:4:4:	4:4:4:	4:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6]-4:S[5]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]HH)(CF3)	N[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6]H)(S[5]C[5,6a]OO)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]HH)(CF3){1|C<4>,2|H<1>,3|C<3>,3|O<1>}	N[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6]H)(S[5]C[5,6a]OO){4|H<1>,5|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){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	107.7700	0.000	1	107.7700	0.000	1	107.7700	0.000	1	107.7700	0.000	1	102.2016	5.240	14	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	3:4:3:2:	4:4:4:	4:3:3:	C[5,6a]-3:C[6,6]-4:N[5,6]-3:O-2:	C[5,6]-4:S[5]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(N[5,6]C[6]S[5])(OC)	N[5,6](C[5,6]C[5,6a]C[6,6]O)(S[5]C[5,6a]OO)(C[6]C[6]CH)	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)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(N[5,6]C[6]S[5])(OC){1|O<2>,2|C<4>,2|O<1>,4|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6a]C[6,6]O)(S[5]C[5,6a]OO)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	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>}	101.3050	0.000	1	101.3050	0.000	1	101.3050	0.000	1	101.3050	0.000	1	102.2016	5.240	14	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,6]	N[5]	C[5,5a]	3:3:3:3:	4:3:2:	3:4:3:	C[5,5a]-3:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[5]-3:O-2:	N[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6]C[6]H)2(N[5]C[5]O)	N[5](C[5,6]C[5,5a]C[6]2)(C[5]N[5,5a]O)(OC)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,6]C[6]2N[5])(C[5a]C[5a,6a]H)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6]C[6]H)2(N[5]C[5]O){1|O<1>,3|C<3>,3|H<1>}	N[5](C[5,6]C[5,5a]C[6]2)(C[5]N[5,5a]O)(OC){2|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5,6]C[6]2N[5])(C[5a]C[5a,6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	98.0350	0.000	1	98.0350	0.000	1	98.0350	0.000	1	98.0350	0.000	1	98.0350	0.000	1	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5,6]	N[5]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	C[5,6]-4:C[5]-3:N-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCH)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]N){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCH){6|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>}	97.9493	0.000	1	97.9493	0.000	1	97.9493	0.000	1	97.9493	0.000	1	97.9493	0.000	1	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5,5]	C[5,6a]	3:3:1:1:	4:4:3:	3:4:3:	C[5,6a]-3:N[5,5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]HH)(C[5]C[5]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]HH)(C[5]C[5]O){2|H<1>,3|C<3>}	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>}	101.7460	0.000	1	101.7460	0.000	1	101.7460	0.000	1	101.7460	0.000	1	103.0359	0.835	7	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5,5]	C[5,6a]	3:3:4:1:	3:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CHHS)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CHHS)(H){1|C<4>,2|H<1>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH){1|H<1>,6|C<3>}	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>}	103.5725	0.384	2	103.5725	0.147	2	103.5725	0.147	2	103.5725	0.147	2	103.0359	0.835	7	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5,5]	C[5,6a]	3:3:4:1:	4:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:S[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO){1|H<1>,3|C<3>}	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>}	101.9250	0.000	1	103.0900	0.870	4	103.0900	0.870	4	103.0900	0.870	4	103.0359	0.835	7	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5,5]	C[5,6a]	3:3:4:1:	4:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:S[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO){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){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	103.4620	0.000	1	103.0900	0.870	4	103.0900	0.870	4	103.0900	0.870	4	103.0359	0.835	7	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5,5]	C[5,6a]	3:3:4:1:	4:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:S[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO){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){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	102.8540	0.000	1	103.0900	0.870	4	103.0900	0.870	4	103.0900	0.870	4	103.0359	0.835	7	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5,5]	C[5,6a]	3:3:4:1:	4:4:4:	3:4:3:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:S[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO){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){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	104.1190	0.000	1	103.0900	0.870	4	103.0900	0.870	4	103.0900	0.870	4	103.0359	0.835	7	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5,6]	C[5,6a]	3:3:4:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5,6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]S[6])(CCHH)(H)	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(S[6]O[6]OO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]S[6])(CCHH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(S[6]O[6]OO){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]CH){1|S<4>,2|H<1>,3|C<3>}	101.6540	0.000	1	101.6540	0.000	1	101.6540	0.000	1	101.6540	0.000	1	101.1598	0.694	4	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5,6]	C[5,6a]	3:3:4:1:	4:4:4:	3:4:3:	C[5,6a]-3:N[5,6]-3:C-4:H-1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]S[6])(CCHH)(H)	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(S[6]O[6]OO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]S[6])(CCHH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(S[6]O[6]OO){4|C<3>}	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>}	100.9950	0.937	3	100.9950	0.878	3	100.9950	0.878	3	100.9950	0.878	3	101.1598	0.694	4	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,5a]	3:3:1:1:	4:4:4:	3:3:4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5a]HH)2(CC[6a]HH)	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]N[5]HH)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2{1|S<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5a]HH)2(CC[6a]HH){1|C<3>,1|N<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(N[5a]C[5a,6a]S)(C[5]N[5]HH){1|C<4>,2|C<3>,2|H<1>}	99.3326	0.000	1	99.3326	0.000	1	99.3326	0.000	1	100.6575	1.347	3	100.9557	1.327	5	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,5a]	3:3:1:1:	4:4:4:	3:3:4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5a]HH)2(CC[6a]HH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]N[5]HH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]C)(H)2{1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5a]HH)2(CC[6a]HH){1|C<3>,1|N<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	101.4950	0.000	1	101.4950	0.000	1	101.4950	0.000	1	100.6575	1.347	3	100.9557	1.327	5	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,5a]	3:3:1:1:	4:4:4:	3:3:4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C[6])(H)2	N[5](C[5]C[5,5a]HH)2(C[6]C[6]2H)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]N[5]HH)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C[6])(H)2{1|N<2>,1|N<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5,5a]HH)2(C[6]C[6]2H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]N[5]HH){1|C<4>,1|S<4>,2|H<1>}	101.1450	0.000	1	101.1450	0.000	1	101.1450	0.000	1	100.6575	1.347	3	100.9557	1.327	5	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,5a]	3:3:1:1:	4:4:4:	3:4:2:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-4:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C[6])(H)2	N[5](C[5]C[5,5a]HH)2(C[6]C[6]2H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]HH)(N[5a]N[5a])	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C[6])(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,5a]HH)2(C[6]C[6]2H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]HH)(N[5a]N[5a]){1|C<4>,1|S<4>,3|H<1>}	100.4160	0.000	1	100.4160	0.000	1	100.4160	0.000	1	100.4160	0.000	1	100.9557	1.327	5	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,5a]	3:3:4:1:	3:4:4:	3:3:4:	C[5,5a]-3:N[5]-3:C-4:H-1:	B[5]-3:C[5]-4:C-4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]B[5]C)(CC3)(H)	N[5](B[5]N[5,5a]C[6a])(C[5]C[5,5a]CH)(CC3)	C[5,5a](N[5,5a]C[5a]B[5])(C[5a]C[5a]H)(C[5]N[5]CH)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]B[5]C)(CC3)(H){1|H<1>,3|C<3>}	N[5](B[5]N[5,5a]C[6a])(C[5]C[5,5a]CH)(CC3){4|C<3>}	C[5,5a](N[5,5a]C[5a]B[5])(C[5a]C[5a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,2|H<1>}	102.3900	0.000	1	102.3900	0.000	1	102.3900	0.000	1	102.3900	0.000	1	100.9557	1.327	5	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(H)2{1|H<1>,1|N<2>,2|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(NCH){2|C<3>}	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>}	101.9210	0.000	1	101.9210	0.000	1	101.9210	0.000	1	101.9210	0.000	1	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	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>}	102.3110	0.154	2	102.3110	0.024	2	102.3110	0.024	2	102.3110	0.024	2	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:4:	3:2:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5,6a]-3:N[6a]-2:C[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)2(CC[6a]HH)	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[5,6a])(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	N[5](C[5]C[5,6a]HH)2(CC[6a]HH){2|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[5,6a])(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>}	102.3848	0.214	6	102.3848	0.046	6	102.3848	0.046	6	102.3848	0.046	6	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(CH3){2|C<3>}	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>}	102.2500	0.000	1	102.2500	0.000	1	105.0952	2.662	5	102.1346	1.835	45	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)2(CCCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)2(CCCH){2|C<3>}	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>}	105.8065	0.419	4	105.8065	0.176	4	105.0952	2.662	5	102.1346	1.835	45	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]S)(H)2{2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]HH){1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	101.6635	0.218	2	101.6635	0.048	2	101.6635	0.048	2	102.1346	1.835	45	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|S<4>,2|H<1>,3|C<3>}	102.4900	0.564	2	102.4900	0.318	2	101.7699	0.561	38	102.1346	1.835	45	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	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>}	102.2110	0.995	4	102.2110	0.989	4	101.7699	0.561	38	102.1346	1.835	45	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Si)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|Si<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]Si)(C[5]N[5]HH){1|S<4>,2|C<3>,3|H<1>}	103.0472	0.968	4	103.0472	0.937	4	101.7699	0.561	38	102.1346	1.835	45	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,1|N<2>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	101.7460	0.000	1	101.3140	0.373	2	101.7699	0.561	38	102.1346	1.835	45	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	100.8820	0.000	1	101.3140	0.373	2	101.7699	0.561	38	102.1346	1.835	45	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|Cl<1>,1|Si<4>,1|C<3>,1|S<4>,2|H<1>}	100.8080	0.000	1	101.4324	0.080	8	101.7699	0.561	38	102.1346	1.835	45	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	101.5810	0.216	2	101.4324	0.080	8	101.7699	0.561	38	102.1346	1.835	45	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	101.5715	0.045	2	101.4324	0.080	8	101.7699	0.561	38	102.1346	1.835	45	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|S<4>,2|H<1>,3|C<3>}	101.3170	0.000	1	101.4324	0.080	8	101.7699	0.561	38	102.1346	1.835	45	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|Si<4>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	101.5145	0.103	2	101.4324	0.080	8	101.7699	0.561	38	102.1346	1.835	45	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|Cl<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]HH){1|C<2>,1|C<3>,1|S<4>,3|H<1>}	101.0320	0.000	1	101.0320	0.000	1	101.7699	0.561	38	102.1346	1.835	45	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	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>}	101.6161	0.422	8	101.5257	0.170	16	101.7699	0.561	38	102.1346	1.835	45	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	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>}	101.4352	0.408	8	101.5257	0.170	16	101.7699	0.561	38	102.1346	1.835	45	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]N[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]C)(C[5]N[5]HH){1|S<4>,2|C<3>,2|H<1>}	101.7130	0.000	1	101.7130	0.000	1	101.7699	0.561	38	102.1346	1.835	45	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:2:1:	4:4:2:	3:3:4:	C[5,6a]-3:N[5]-3:S-2:H-1:	C[5]-4:S[5]-4:C-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H)	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CC[6a])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HS)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CC[6a]){2|C<3>}	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>}	103.1500	0.000	1	103.1500	0.000	1	103.1500	0.000	1	103.1500	0.000	1	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:2:1:	4:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5]-4:C[5]-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(OC)(H)	N[5](C[5]C[5,6a]HO)2(NC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(OC)(H){1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]HO)2(NC[6a]H){2|C<3>}	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>}	101.7630	0.240	2	101.7630	0.058	2	101.7630	0.058	2	101.7630	0.058	2	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:2:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5]-4:S[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(OH)(H)	N[5](C[5]C[5,6a]HO)(S[5]C[5,6a]OO)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(OH)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]HO)(S[5]C[5,6a]OO)(CC[6a]HH){2|C<3>}	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>}	103.8580	0.000	1	103.8580	0.000	1	103.8580	0.000	1	105.5617	1.319	10	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:2:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:S-2:H-1:	C[5]-4:S[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H)	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HS)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CCHH){2|C<3>}	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>}	105.4502	0.517	4	105.4502	0.268	4	105.7510	1.080	9	105.5617	1.319	10	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:2:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:S-2:H-1:	C[5]-4:S[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H)	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HS)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CC[6a]HH){2|C<3>}	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>}	105.9916	1.341	5	105.9916	1.797	5	105.7510	1.080	9	105.5617	1.319	10	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:S[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NCH)(H)	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NCH)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CCHH){2|C<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>}	104.5983	0.849	4	104.5983	0.720	4	104.0742	1.100	6	104.0742	1.100	6	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[5]-4:S[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NCH)(H)	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HN)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NCH)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CC[6a]HH){2|C<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>}	103.0260	0.202	2	103.0260	0.041	2	104.0742	1.100	6	104.0742	1.100	6	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:3:1:	4:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SC[6a]OO){4|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|S<4>,3|C<3>,3|H<1>}	101.5310	0.000	1	101.5310	0.000	1	101.5310	0.000	1	101.5310	0.000	1	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:3:2:	4:3:2:	3:3:4:	C[5,6a]-3:N[5]-3:C-3:O-2:	C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[3]O)(OH)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[3]O)(OH){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC){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>}	99.0602	0.000	1	99.0602	0.000	1	99.0602	0.000	1	99.5736	0.527	2	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:3:2:	4:3:2:	3:3:4:	C[5,6a]-3:N[5]-3:C-3:O-2:	C[5]-4:C[5]-3:O-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]O)(CC[6a]O)(OH)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]CO)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]O)(CC[6a]O)(OH){1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC){2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]CO){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	100.0870	0.000	1	100.0870	0.000	1	100.0870	0.000	1	99.5736	0.527	2	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:3:2:	4:4:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-3:C-2:	C[5]-4:S[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CNO)(CC)	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CNO)(CC){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(H){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>}	106.6220	0.000	1	106.6220	0.000	1	106.6220	0.000	1	106.6220	0.000	1	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5a]-3:N[5]-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[5]H)(CNO)	N[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[5]H)(CNO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(H){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>}	101.3430	0.000	1	101.3430	0.000	1	101.3430	0.000	1	101.3430	0.000	1	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:3:3:	4:3:2:	3:4:3:	C[5,6a]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]O[5])(C[6a]C[6a]2)2	N[5](C[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]O[5])(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	N[5](C[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,8|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>}	98.6114	0.000	1	98.6114	0.000	1	98.6114	0.000	1	98.6114	0.000	1	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:3:3:	4:4:1:	3:4:3:	C[5,6a]-3:C[5a]-3:N[5]-3:C-3:	C[5]-4:S[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]S[5]H)(COO)	N[5](C[5]C[5,6a]C[5a]C)(S[5]C[5,6a]OO)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]S[5]H)(COO){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5a]C)(S[5]C[5,6a]OO)(H){4|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>}	104.5575	1.679	2	104.5575	2.820	2	104.5575	2.820	2	104.1617	1.205	4	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:3:3:	4:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	C[5]-4:S[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]S[5]H)	N[5](C[5]C[5,6a]C[6a]2)(S[5]C[5,6a]OO)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(N[5]S[5]H){2|O<1>,5|H<1>,6|C<3>}	N[5](C[5]C[5,6a]C[6a]2)(S[5]C[5,6a]OO)(H){6|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>}	103.7660	0.410	2	103.7660	0.168	2	103.7660	0.168	2	104.1617	1.205	4	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-3:	C[5]-4:S[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]C)(COO)	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]F)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]C)(COO){1|F<1>,2|H<1>,2|O<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH){4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]F){1|C<4>,2|F<1>,2|O<1>,3|C<3>}	103.7265	1.331	2	103.7265	1.773	2	103.7147	0.887	3	103.7147	0.887	3	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:3:3:	4:4:4:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-3:	C[5]-4:S[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]C)(COO)	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CH3)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]F)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]C)(COO){1|F<1>,2|H<1>,2|O<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CH3){4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]F){1|C<4>,2|F<1>,2|O<1>,3|C<3>}	103.6910	0.000	1	103.6910	0.000	1	103.7147	0.887	3	103.7147	0.887	3	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:3:4:	4:4:1:	3:4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-4:	C[5]-4:S[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]H)(CCHH)	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]H)(CCHH){2|O<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(H){4|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>}	104.6780	0.000	1	104.6780	0.000	1	104.6780	0.000	1	104.6780	0.000	1	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:3:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CC[6a]HH)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(SC[6a]OO){2|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>,1|S<4>,2|H<1>}	101.0690	0.000	1	101.0690	0.000	1	101.0690	0.000	1	101.0690	0.000	1	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:4:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(CF3)(H)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CH)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(CF3)(H){1|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CH)(H){1|N<3>,1|O<1>,4|C<3>}	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>}	104.4330	0.000	1	104.4330	0.000	1	104.4330	0.000	1	105.3685	0.955	4	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:4:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:S[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HN)(H)	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HN)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(H){2|C<3>}	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>}	106.1460	0.631	2	106.1460	0.398	2	105.6803	0.849	3	105.3685	0.955	4	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:4:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:S[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HO)(H)	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CC[6a]HO)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(H){2|C<3>}	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>}	104.7490	0.000	1	104.7490	0.000	1	105.6803	0.849	3	105.3685	0.955	4	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCFF)(H)	N[5](C[5]C[5,6a]CH)2(SCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCFF)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]CH)2(SCO){2|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|C<4>,1|S<3>,3|H<1>}	104.7250	0.000	1	104.7250	0.000	1	104.2090	0.533	2	104.5095	0.356	4	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5,6a]CH)2(SCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]CH)2(SCO){2|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|C<4>,1|S<3>,3|H<1>}	103.6930	0.000	1	103.6930	0.000	1	104.2090	0.533	2	104.5095	0.356	4	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:4:3:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:S[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]S[5])(CCHH)(H)	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]S[5])(CCHH)(H){1|H<1>,2|O<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	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>}	104.8100	0.419	2	104.8100	0.175	2	104.8100	0.175	2	104.5095	0.356	4	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCCH)(H)	N[5](C[5]C[5,6a]CH)2(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]CH)2(SC[6a]OO){2|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|C<4>,1|S<4>,3|H<1>}	102.5930	0.000	1	102.5930	0.000	1	102.0947	0.199	3	103.3023	5.965	4	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H){2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SC[6a]OO){4|C<3>}	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>}	101.7340	0.000	1	101.7340	0.000	1	102.0947	0.199	3	103.3023	5.965	4	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CHHO)(H)	N[5](C[5]C[5,6a]CH)2(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]CH)2(SC[6a]OO){2|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|C<4>,1|S<4>,3|H<1>}	101.9570	0.000	1	101.9570	0.000	1	102.0947	0.199	3	103.3023	5.965	4	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:4:1:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5]-4:S[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CH3)(H)	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(CC3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CH3)(H){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(CC3){2|C<3>}	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>}	106.9250	0.000	1	106.9250	0.000	1	106.9250	0.000	1	103.3023	5.965	4	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:4:2:	4:3:3:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:O-2:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(OH)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCHH)(OH){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,5|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>}	101.4590	0.000	1	101.4590	0.000	1	101.4590	0.000	1	101.4590	0.000	1	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:4:2:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:O-2:	C[5]-4:C[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(OH)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(OH){2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(CH3){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>,4|H<1>}	101.3040	0.000	1	101.3040	0.000	1	101.3040	0.000	1	101.3040	0.000	1	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:4:3:	4:4:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-3:	C[5]-4:S[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCCH)(COO)	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCCH)(COO){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(H){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>}	104.8690	0.000	1	104.8690	0.000	1	105.7745	1.640	2	105.7745	1.640	2	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:4:3:	4:4:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-3:	C[5]-4:S[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH)(COO)	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(H)	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH)(COO){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(H){2|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>}	106.6800	0.000	1	106.6800	0.000	1	105.7745	1.640	2	105.7745	1.640	2	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:4:3:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-3:	C[5]-4:S[5]-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CCCH)(COO)	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CCCH)(COO){1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(CCHH){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>}	105.1760	0.000	1	105.1760	0.000	1	105.1760	0.000	1	105.1760	0.000	1	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:4:4:	4:4:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)2	N[5](C[5]C[5,6a]CC)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6a]CC)2(H){2|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|N<3>,2|C<4>,2|H<1>}	101.9580	0.000	1	102.1340	0.062	2	102.1340	0.062	2	103.0340	2.461	3	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:4:4:	4:4:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)2	N[5](C[5]C[5,6a]CC)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6a]CC)2(H){2|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>,2|C<4>,3|H<1>}	102.3100	0.000	1	102.1340	0.062	2	102.1340	0.062	2	103.0340	2.461	3	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:4:4:	4:4:1:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:S[5]-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH)2	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH)2{1|H<1>,2|C<3>,2|O<1>}	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(H){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>}	104.8340	0.000	1	104.8340	0.000	1	104.8340	0.000	1	103.0340	2.461	3	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:4:4:	4:4:2:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2	N[5](C[5]C[5,6a]CC)2(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6a]CC)2(OC){2|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<2>,2|C<4>,2|H<1>}	99.2696	0.337	2	99.2696	0.114	2	99.2235	0.054	4	99.2235	0.054	4	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:4:4:	4:4:2:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2	N[5](C[5]C[5,6a]CC)2(OC[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6a]CC)2(OC[6]){2|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<2>,2|C<4>,2|H<1>}	99.1774	0.199	2	99.1774	0.040	2	99.2235	0.054	4	99.2235	0.054	4	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:4:4:	4:4:4:	3:3:4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5]-4:C[5]-4:P-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(CH3)2	N[5](C[5]C[5,6a]CC)2(PC[6a]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6a]CC)2(PC[6a]2O){2|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|P<4>,2|C<4>,2|H<1>}	100.3520	0.031	2	100.3520	0.001	2	100.3520	0.001	2	100.3520	0.001	2	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:4:3:1:	4:3:4:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:B[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H)	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC3)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H){1|B<3>,1|C<4>,1|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC3){1|H<1>,1|N<3>,5|C<3>}	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>}	104.7550	0.000	1	104.7550	0.000	1	104.7550	0.000	1	104.7550	0.000	1	102.8796	3.993	116	102.4549	5.688	232
474	542	727	5:SP3_SP2_SP3	C[5]	N[5]	C[5,6a]	3:4:3:1:	4:4:1:	3:4:3:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:S[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]H)(N[5]S[5]H)(H)	N[5](C[5]C[5,6a]C[5]H)(S[5]C[5,6a]OO)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[5]H)(N[5]S[5]H)(H){2|H<1>,2|O<1>,7|C<3>}	N[5](C[5]C[5,6a]C[5]H)(S[5]C[5,6a]OO)(H){1|H<1>,2|C<3>,2|C<4>}	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>}	105.9300	0.000	1	105.9300	0.000	1	105.9300	0.000	1	105.9300	0.000	1	102.8796	3.993	116	102.4549	5.688	232
474	542	727	6:SP3_SP2_SP2	C[5,5,6,6]	N[5,6,6]	C[5a,6]	3:3:3:4:	4:3:4:	4:3:3:	N[5,5,6]-3:C[5a,6]-3:N[5,6,6]-3:C[5,6]-4:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,5,6,6]-4:C[5a,6]-3:N[5a]-3:	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(N[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]HH)	N[5,6,6](C[5,5,6,6]N[5,5,6]C[5a,6]C[5,6])(C[5,6]C[5,5,6,6]O)(C[6]C[6]HH)	C[5a,6](C[5,5,6,6]N[5,5,6]N[5,6,6]C[5,6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(N[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]HH){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	N[5,6,6](C[5,5,6,6]N[5,5,6]C[5a,6]C[5,6])(C[5,6]C[5,5,6,6]O)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5a,6](C[5,5,6,6]N[5,5,6]N[5,6,6]C[5,6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,4|C<4>,4|H<1>}	108.1040	0.000	1	108.1040	0.000	1	108.1040	0.000	1	108.1040	0.000	1	108.1040	0.000	1	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,5,6]	N[5,6]	C[5a,6]	3:3:4:4:	4:4:3:	4:3:3:	C[5a,6]-3:N[5,6]-3:C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]HH)	N[5,6](C[5,5,6]C[5a,6]C[5,5]C[5])(C[6]C[6]CH)(C[5]C[5]O)	C[5a,6](C[5,5,6]C[5,5]N[5,6]C[5])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,8|H<1>}	N[5,6](C[5,5,6]C[5a,6]C[5,5]C[5])(C[6]C[6]CH)(C[5]C[5]O){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[5a,6](C[5,5,6]C[5,5]N[5,6]C[5])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,4|C<4>,5|H<1>}	105.8680	0.000	1	105.8680	0.000	1	105.8680	0.000	1	105.8680	0.000	1	105.8680	0.000	1	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:3:3:1:	3:4:3:	3:4:3:	C[5a,6]-3:N[5,6]-3:N[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(N[5]N[5]S)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5]C[6a]N[5])	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]N[5]H)(C[5a]C[5a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(N[5]N[5]S)(H){1|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5]C[6a]N[5]){1|H<1>,1|N<3>,1|S<4>,5|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]N[5]H)(C[5a]C[5a]H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	107.9550	0.000	1	107.9550	0.000	1	107.9550	0.000	1	107.9550	0.000	1	107.4964	1.111	43	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:3:3:1:	4:3:4:	4:3:3:	C[5,6a]-3:C[5a,6]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[5,6a]C[5a,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5a,6](C[5,6]C[5,6a]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6a]C[5a,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5,6]C[5,6a]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	106.8530	0.315	2	106.8530	0.099	2	106.8530	0.099	2	106.8530	0.099	2	107.4964	1.111	43	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:3:3:2:	4:3:4:	4:3:3:	C[5,6a]-3:C[5a,6]-3:N[5,6]-3:O-2:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(OH)	N[5,6](C[5,6]C[5,6a]C[5a,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5a,6](C[5,6]C[5,6a]N[5,6]O)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6a]C[5a,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5,6]C[5,6a]N[5,6]O)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	107.3890	0.000	1	107.3890	0.000	1	107.3890	0.000	1	107.3890	0.000	1	107.4964	1.111	43	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:3:3:3:	3:4:3:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(CCH)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[6]C[6]C)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(CCH){1|C<4>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]C){1|H<1>,1|O<1>,5|C<3>}	106.4940	0.000	1	106.4940	0.000	1	106.4940	0.000	1	106.4940	0.000	1	107.4964	1.111	43	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:3:3:3:	4:4:3:	4:3:2:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[5a,6]-3:N[5a]-2:	C[5,6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CNO)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[5a,6](C[5,6]N[5,6]C[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a])	C[5,6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CNO){1|O<1>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5,6]N[5,6]C[5]C)(N[5a,6]C[5a]C[6])(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	109.0470	0.000	1	109.0470	0.000	1	109.0470	0.000	1	109.0470	0.000	1	107.4964	1.111	43	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:3:3:4:	4:3:4:	4:3:3:	C[5,6a]-3:C[5a,6]-3:N[5,6]-3:C-4:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(CH3)	N[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5a,6](C[5,6]C[5,6a]N[5,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(CH3){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5,6]C[5,6a]N[5,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	106.1640	0.000	1	106.1640	0.000	1	106.1640	0.000	1	106.1640	0.000	1	107.4964	1.111	43	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:3:3:4:	4:4:3:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CC[6a]HH)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CC[6a]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	107.1300	0.000	1	107.1300	0.000	1	107.1300	0.000	1	108.1402	0.356	5	107.4964	1.111	43	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:3:3:4:	4:4:3:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5]C[6])(C[5]S[5]O)(CCHH)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]S[5]S)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a,6a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5]C[6])(C[5]S[5]O)(CCHH){1|C<4>,1|S<1>,2|C<3>,3|H<1>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]S[5]S){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a,6a]H){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	108.3928	0.223	4	108.3928	0.050	4	108.3928	0.050	4	108.1402	0.356	5	107.4964	1.111	43	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:3:3:4:	4:4:3:	4:3:3:	C[5a,6]-3:N[5,6]-3:C[6a]-3:C[5]-4:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)	N[5,6](C[5,6]C[5a,6]C[6a]C[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5a,6](C[5,6]N[5,6]C[6a]C[5])(C[5a,6]S[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|O<1>,1|S<2>,3|C<3>,7|H<1>}	N[5,6](C[5,6]C[5a,6]C[6a]C[5])(C[5]C[5]HH)(C[6]C[6]O){4|C<3>,6|H<1>}	C[5a,6](C[5,6]N[5,6]C[6a]C[5])(C[5a,6]S[5a]C[6])(C[5a]C[5a]H){2|C<4>,3|C<3>,5|H<1>}	108.7800	0.000	1	108.7800	0.000	1	108.7800	0.000	1	108.7800	0.000	1	107.4964	1.111	43	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:3:4:1:	3:4:3:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(C[5]C[5]O)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5,6]N[5,6]C[5]H)(C[5a]C[5a]H)	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(C[5]C[5]O){4|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5,6]N[5,6]C[5]H)(C[5a]C[5a]H){2|C<4>,3|C<3>,3|H<1>}	108.9040	0.000	1	108.9040	0.000	1	108.9040	0.000	1	109.1965	0.171	2	107.4964	1.111	43	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:3:4:1:	3:4:3:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(C[5]C[5]O)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]C[5]H)(C[5a]C[5a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|O<1>,3|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]H)(C[5]C[5]O){1|N<3>,3|C<3>,5|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]C[5]H)(C[5a]C[5a]H){1|C<4>,3|C<3>,4|H<1>}	109.4890	0.000	1	109.4890	0.000	1	109.4890	0.000	1	109.1965	0.171	2	107.4964	1.111	43	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:3:4:1:	4:4:3:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CO)(H)	N[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]H)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CO)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]H)(N[5a]C[5a,6a]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	108.2587	0.657	3	108.2587	0.432	3	107.6949	0.448	14	107.6949	0.448	14	107.4964	1.111	43	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:3:4:1:	4:4:3:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]H)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]H)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	107.5412	0.612	11	107.5412	0.374	11	107.6949	0.448	14	107.6949	0.448	14	107.4964	1.111	43	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:3:4:3:	4:4:3:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(COO)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	107.4350	0.000	1	107.4350	0.000	1	106.3955	2.161	2	106.3955	2.161	2	107.4964	1.111	43	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:3:4:3:	4:4:3:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HO)(CCH)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HO)(CCH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	105.3560	0.000	1	105.3560	0.000	1	106.3955	2.161	2	106.3955	2.161	2	107.4964	1.111	43	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:3:4:4:	3:4:4:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){4|C<3>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a]H){2|C<3>,2|C<4>,4|H<1>}	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	107.4964	1.111	43	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:3:4:4:	4:4:3:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[3]O[5]O)(CH3)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]O[5]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[3]O[5]O)(CH3){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	107.3390	0.000	1	107.3390	0.000	1	106.3371	1.152	7	106.3371	1.152	7	107.4964	1.111	43	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:3:4:4:	4:4:3:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	106.5355	0.131	2	105.7943	1.657	3	106.3371	1.152	7	106.3371	1.152	7	107.4964	1.111	43	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:3:4:4:	4:4:3:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,3|H<1>,4|C<3>}	104.3120	0.000	1	105.7943	1.657	3	106.3371	1.152	7	106.3371	1.152	7	107.4964	1.111	43	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:3:4:4:	4:4:3:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CCHH)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CCHH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	105.5210	0.000	1	105.5210	0.000	1	106.3371	1.152	7	106.3371	1.152	7	107.4964	1.111	43	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:3:4:4:	4:4:3:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]CH)(C[5]C[5]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]CH)(C[5]C[5]O){1|C<3>,1|N<3>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){2|C<4>,3|C<3>,4|H<1>}	107.0585	0.064	2	107.0585	0.004	2	106.3371	1.152	7	106.3371	1.152	7	107.4964	1.111	43	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:4:3:1:	4:3:4:	4:3:3:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	C[5a,6](C[5,6]C[5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5,6]C[5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,5|C<3>}	106.8270	0.000	1	106.8270	0.000	1	107.7190	0.788	3	107.7190	0.788	3	107.4964	1.111	43	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:4:3:1:	4:3:4:	4:3:3:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	C[5a,6](C[5,6]C[5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	N[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5a,6](C[5,6]C[5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	108.1650	0.618	2	108.1650	0.382	2	107.7190	0.788	3	107.7190	0.788	3	107.4964	1.111	43	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	4:3:3:1:	4:3:4:	4:3:3:	C[3x5,6]-4:C[5a,6]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H)	N[5,6](C[5,6]C[3x5,6]C[5a,6]H)(C[5]C[5,5,6]O)(C[6]C[6]CH)	C[5a,6](C[5,6]C[3x5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H){1|O<1>,3|C<4>,4|C<3>,4|H<1>}	N[5,6](C[5,6]C[3x5,6]C[5a,6]H)(C[5]C[5,5,6]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6](C[5,6]C[3x5,6]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	107.9240	0.000	1	107.9240	0.000	1	107.9240	0.000	1	107.9240	0.000	1	107.4964	1.111	43	107.4737	1.129	45
474	542	727	6:SP3_SP2_SP3	C[3x5,6]	N[5,5,6]	C[5,6,6a]	3:3:3:4:	4:4:4:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:N[5,5,6]-3:C[5,5]-4:	C[3x5,6]-4:C[5,6]-4:S[5]-4:	C[3x5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[5,5,6]C[5,6]S[5])(C[5,5]C[5,5,6]CH)	N[5,5,6](C[3x5,6]C[5,6,6a]C[5,6a]C[5,5])(C[5,6]C[5,5,6]CH)(S[5]C[5,6a]OO)	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)	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[5,5,6]C[5,6]S[5])(C[5,5]C[5,5,6]CH){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	N[5,5,6](C[3x5,6]C[5,6,6a]C[5,6a]C[5,5])(C[5,6]C[5,5,6]CH)(S[5]C[5,6a]OO){1|H<1>,2|C<4>,4|C<3>}	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>}	103.4360	0.000	1	103.4360	0.000	1	103.4360	0.000	1	103.4360	0.000	1	103.4360	0.000	1	106.9232	5.104	13
474	542	727	6:SP3_SP2_SP3	C[5,5,6,6]	N[5,5,6]	C[5a,6]	3:3:3:4:	4:4:4:	4:3:3:	N[5,5,6]-3:C[5a,6]-3:C[5,6]-3:C[5,6]-4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6]-4:	C[5,5,6,6]-4:C[5a,6]-3:N[5a]-3:	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6,6]O)(C[5,6]C[5,6]CC)	N[5,5,6](C[5,5,6,6]N[5,6,6]C[5a,6]C[5,6])(C[5,5,6,6]C[5a,6]C[5,6]2)(C[6]C[6]HH)	C[5a,6](C[5,5,6,6]N[5,5,6]C[5,6]2)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6,6]O)(C[5,6]C[5,6]CC){2|C<4>,3|C<3>,5|H<1>}	N[5,5,6](C[5,5,6,6]N[5,6,6]C[5a,6]C[5,6])(C[5,5,6,6]C[5a,6]C[5,6]2)(C[6]C[6]HH){1|O<1>,2|C<3>,2|N<3>,3|C<4>,4|H<1>}	C[5a,6](C[5,5,6,6]N[5,5,6]C[5,6]2)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	109.8320	0.000	1	109.8320	0.000	1	109.8320	0.000	1	109.8320	0.000	1	109.8320	0.000	1	106.9232	5.104	13
474	542	727	6:SP3_SP2_SP3	C[5,5,6]	N[5,6]	C[5,6,6a]	4:3:3:1:	4:4:3:	3:4:3:	C[5,5,6]-4:C[5,6,6a]-3:N[5,6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,6]C[5,6,6]C)(H)	N[5,6](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)(COO)	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)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,6]C[5,6,6]C)(H){1|O<2>,3|H<1>,4|C<3>}	N[5,6](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)(COO){2|H<1>,4|C<3>}	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>}	105.7410	0.000	1	105.7410	0.000	1	105.7410	0.000	1	105.7410	0.000	1	105.7410	0.000	1	106.9232	5.104	13
474	542	727	6:SP3_SP2_SP3	C[5,6,6]	N[5,6]	C[5a,6]	3:4:3:3:	4:4:4:	4:3:3:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:C[6]-3:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)	C[5a,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	N[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[5a,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,5|H<1>}	109.3270	0.000	1	109.3270	0.000	1	109.3270	0.000	1	109.3270	0.000	1	106.9245	11.544	2	106.9232	5.104	13
474	542	727	6:SP3_SP2_SP3	C[5,6,6]	N[5,6]	C[5a,6]	3:4:3:4:	4:4:3:	4:3:3:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:C[6]-4:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	N[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[5a,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,9|H<1>}	N[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[5a,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){3|C<3>,4|C<4>,5|H<1>}	104.5220	0.000	1	104.5220	0.000	1	104.5220	0.000	1	104.5220	0.000	1	106.9245	11.544	2	106.9232	5.104	13
474	542	727	6:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5a,6]	3:3:3:1:	3:4:3:	4:3:3:	C[5a,6]-3:N[5,6]-3:N[5]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]C)	C[5a,6](C[5,6]N[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]S)(H){1|C<4>,1|H<1>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[6]C[6]C){1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[5a,6](C[5,6]N[5,6]N[5]H)(N[5a,6]C[5a]C[6])(C[5a]C[5a]H){1|S<4>,3|C<3>,4|H<1>}	110.7030	0.000	1	110.7030	0.000	1	110.7030	0.000	1	110.7030	0.000	1	107.1429	3.900	8	106.9232	5.104	13
474	542	727	6:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5a,6]	3:3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[5a]-3:N[5,6]-3:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[5,6a]C[5a,6]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5a,6](C[5,6]C[5,6a]N[5,6]C[5a])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6]){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	N[5,6](C[5,6]C[5,6a]C[5a,6]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	C[5a,6](C[5,6]C[5,6a]N[5,6]C[5a])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,7|C<3>}	104.4610	0.000	1	104.4610	0.000	1	104.4610	0.000	1	104.4610	0.000	1	107.1429	3.900	8	106.9232	5.104	13
474	542	727	6:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5a,6]	3:3:4:4:	3:4:4:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5a,6]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a,6a]H)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){4|C<3>,5|H<1>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5,6]N[5,6]C[5]C)(C[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	106.9445	0.145	2	106.9445	0.021	2	106.9445	0.021	2	106.9445	0.021	2	107.1429	3.900	8	106.9232	5.104	13
474	542	727	6:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5a,6]	3:3:4:4:	4:4:4:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	104.8740	0.000	1	104.8740	0.000	1	106.7355	6.930	2	107.0225	2.426	4	107.1429	3.900	8	106.9232	5.104	13
474	542	727	6:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5a,6]	3:3:4:4:	4:4:4:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CHHO)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CHHO){1|C<4>,3|C<3>,5|H<1>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]H){3|C<3>,3|C<4>,3|H<1>}	108.5970	0.000	1	108.5970	0.000	1	106.7355	6.930	2	107.0225	2.426	4	107.1429	3.900	8	106.9232	5.104	13
474	542	727	6:SP3_SP2_SP3	C[5,6]	N[5,6]	C[5a,6]	3:3:4:4:	4:4:4:	3:4:3:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:C[6]-4:S[5]-4:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[6]S[5])(C[5]C[5]HH)(CH3)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(S[5]C[5]OO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[6]S[5])(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(S[5]C[5]OO){1|C<3>,1|N<3>,6|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5]C)(N[5a]C[5a,6a]C){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	107.3095	0.135	2	107.3095	0.018	2	107.3095	0.018	2	107.0225	2.426	4	107.1429	3.900	8	106.9232	5.104	13