762	856	943	6:SP2_SP-NON_SP2	C[6]	N[6]	Ga[6]	4:3:1:	4:3:4:	3:3:4:4:	Ga[6]-4:N[6]-3:H-1:	Ga[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:C-4:	C[6](Ga[6]N[6]CC)(N[6]Ga[6]C)(H)	N[6](Ga[6]C[6]CC)(C[6]Ga[6]H)(CH3)	Ga[6](C[6]N[6]H)(N[6]C[6]C)(CC3)2	C[6](Ga[6]N[6]CC)(N[6]Ga[6]C)(H){1|C<3>,3|C<4>}	N[6](Ga[6]C[6]CC)(C[6]Ga[6]H)(CH3){1|H<1>,1|N<3>,2|C<4>}	Ga[6](C[6]N[6]H)(N[6]C[6]C)(CC3)2{1|Ga<4>,1|C<4>,1|H<1>}	131.5030	0.000	1	131.5030	0.000	1	131.5030	0.000	1	131.5030	0.000	1	131.5030	0.000	1	131.5030	0.000	1
762	856	944	0:SP2_SP-NON_SP2	C[6]	N[6]	I	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:I-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(I)	N[6](C[6]C[6]H)(C[6]C[6]I)(H)	I(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(I){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]I)(H){1|C<3>,2|H<1>}	I(C[6]C[6]N[6])	118.3043	0.454	7	118.3043	0.206	7	118.3043	0.206	7	118.3194	0.729	12	118.6298	1.920	13	118.6298	1.920	13
762	856	944	0:SP2_SP-NON_SP2	C[6]	N[6]	I	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:I-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(I)	N[6](C[6]C[6]H)(C[6]C[6]I)(O)	I(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(I){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]I)(O){1|C<3>,2|H<1>}	I(C[6]C[6]N[6])	119.3730	0.000	2	118.3406	1.694	5	118.3406	1.694	5	118.3194	0.729	12	118.6298	1.920	13	118.6298	1.920	13
762	856	944	0:SP2_SP-NON_SP2	C[6]	N[6]	I	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:I-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(I)	N[6](C[6]C[6]H)(C[6]C[6]I)(O)	I(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(I){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]I)(O){1|C<3>,2|H<1>}	I(C[6]C[6]N[6])	117.6523	1.269	3	118.3406	1.694	5	118.3406	1.694	5	118.3194	0.729	12	118.6298	1.920	13	118.6298	1.920	13
762	856	944	0:SP2_SP-NON_SP2	C[6]	N[6]	I	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:I-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(I)	N[6](C[6]C[6]H)(C[6]C[6]I)(CCHH)	I(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(I){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]I)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	I(C[6]C[6]N[6])	122.3540	0.000	1	122.3540	0.000	1	122.3540	0.000	1	122.3540	0.000	1	118.6298	1.920	13	118.6298	1.920	13
762	856	945	0:SP2_SP2_SP3	C[6]	N[6]	P	3:3:3:	3:3:3:	3:1:1:	N[6]-3:C[6]-3:P-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:Cl-1:Cl-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PCl2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]P)	P(C[6]C[6]N[6])(Cl)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PCl2){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]P){3|C<3>,3|H<1>}	P(C[6]C[6]N[6])(Cl)2	117.7220	0.000	1	117.7220	0.000	1	117.7220	0.000	1	117.7220	0.000	1	119.6623	25.019	6	119.6623	25.019	6
762	856	945	0:SP2_SP2_SP3	C[6]	N[6]	P	3:3:3:	3:3:3:	3:3:3:	N[6]-3:C[6]-3:P-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PC[6a]2)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]P)	P(C[6]C[6]N[6])(C[6a]C[6a]2)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PC[6a]2){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]P){2|H<1>,2|O<2>,3|C<3>}	P(C[6]C[6]N[6])(C[6a]C[6a]2)2	117.5780	0.000	1	117.5780	0.000	1	117.5780	0.000	1	119.9930	4.467	3	119.6623	25.019	6	119.6623	25.019	6
762	856	945	0:SP2_SP2_SP3	C[6]	N[6]	P	3:3:3:	3:3:3:	3:3:3:	N[6]-3:C[6]-3:P-3:	C[6a]-3:C[6]-3:C[6]-3:	N[5a]-3:N[5a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PN[5a]2)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]P)	P(N[5a]C[5a]N[5a])2(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PN[5a]2){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]P){3|C<3>,3|H<1>}	P(N[5a]C[5a]N[5a])2(C[6]C[6]N[6])	121.2005	0.431	2	121.2005	0.185	2	121.2005	0.185	2	119.9930	4.467	3	119.6623	25.019	6	119.6623	25.019	6
762	856	945	0:SP2_SP2_SP3	C[6]	N[6]	P	3:3:3:	3:4:3:	3:1:1:	N[6]-3:N[6]-3:P-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:Cl-1:Cl-1:	C[6](N[6]C[6a]C[6])2(PCl2)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]P)	P(C[6]N[6]2)(Cl)2	C[6](N[6]C[6a]C[6])2(PCl2){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]P){2|H<1>,3|C<3>,3|C<4>}	P(C[6]N[6]2)(Cl)2	120.1365	10.565	2	120.1365	111.617	2	120.1365	111.617	2	120.1365	111.617	2	119.6623	25.019	6	119.6623	25.019	6
762	856	950	0:SP2_SP2_SPD5	C[6]	N[6]	P	5:3:3:	3:3:4:	3:3:3:1:1:	P-5:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:C[6a]-3:F-1:F-1:	C[6](PC[6a]2FF)(C[6]C[6]H)(N[6]C[6]C)	N[6](C[6]C[6]H)(C[6]C[6]P)(CH3)	P(C[6]C[6]N[6])(C[6a]C[6a]2)2(F)2	C[6](PC[6a]2FF)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]P)(CH3){1|C<3>,2|H<1>}	P(C[6]C[6]N[6])(C[6a]C[6a]2)2(F)2	123.9130	0.000	1	123.9130	0.000	1	123.9130	0.000	1	123.9130	0.000	1	123.9130	0.000	1	123.9130	0.000	1
762	856	951	0:SP2_SP-NON_SP2	C[6,6]	N[3x6]	H	3:3:1:	4:4:3:	3:	N[3x6]-3:N[3x6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-3:	C[6,6](N[3x6]C[6,6]2)2(H)	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(C[6,6]N[3x6]H)	H(C[6,6]N[3x6]2)	C[6,6](N[3x6]C[6,6]2)2(H){1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(C[6,6]N[3x6]H){1|Pd<4>,3|C<4>}	H(C[6,6]N[3x6]2)	106.1605	5.136	2	106.1605	26.376	2	106.1605	26.376	2	106.1605	26.376	2	106.1605	26.376	2	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:1:	3:3:3:	3:	N[6,6]-3:N[6,6]-3:H-1:	P[4,6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6]-3:	C[6,6](N[6,6]P[4,6,6]C[6a])2(H)	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]H)(C[6a]C[6a]2)	H(C[6,6]N[6,6]2)	C[6,6](N[6,6]P[4,6,6]C[6a])2(H){2|N<3>,4|C<3>}	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]H)(C[6a]C[6a]2){1|P<3>,2|C<4>,5|C<3>}	H(C[6,6]N[6,6]2)	118.6830	0.126	2	118.5484	1.021	8	118.5484	1.021	8	118.5484	1.021	8	118.5484	1.021	8	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:1:	3:3:3:	3:	N[6,6]-3:N[6,6]-3:H-1:	P[4,6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6]-3:	C[6,6](N[6,6]P[4,6,6]C[6a])2(H)	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]H)(C[6a]C[6a]2)	H(C[6,6]N[6,6]2)	C[6,6](N[6,6]P[4,6,6]C[6a])2(H){2|N<3>,4|C<3>}	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]H)(C[6a]C[6a]2){1|P<3>,3|C<3>,4|C<4>}	H(C[6,6]N[6,6]2)	118.5035	1.190	6	118.5484	1.021	8	118.5484	1.021	8	118.5484	1.021	8	118.5484	1.021	8	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[3x6]	H	3:3:1:	3:3:3:	3:	N[3x6]-3:C[6]-3:H-1:	C[3x6]-3:As[3x6]-3:C[6]-3:	C[6]-3:	C[6](N[3x6]As[3x6]C[3x6])(C[6]C[6]H)(H)	N[3x6](C[3x6]P[3x6]C[6])(As[3x6]N[3x6]2)(C[6]C[6]H)	H(C[6]N[3x6]C[6])	C[6](N[3x6]As[3x6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<3>,2|N<3>}	N[3x6](C[3x6]P[3x6]C[6])(As[3x6]N[3x6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	H(C[6]N[3x6]C[6])	119.8943	0.196	3	119.8943	0.038	3	119.8943	0.038	3	119.8943	0.038	3	118.1346	1.287	14	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[3x6]	H	3:3:1:	5:3:3:	3:	N[3x6]-3:C[6]-3:H-1:	Nb[3x6]-5:C[3x6]-3:C[6]-3:	C[6]-3:	C[6](N[3x6]Nb[3x6]C[3x6])(C[6]C[6]H)(H)	N[3x6](Nb[3x6]N[6,6]2NO)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	H(C[6]N[3x6]C[6])	C[6](N[3x6]Nb[3x6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|N<3>}	N[3x6](Nb[3x6]N[6,6]2NO)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|Si<4>,1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6]N[3x6]C[6])	118.1600	0.000	1	118.1600	0.000	1	118.1600	0.000	1	118.1600	0.000	1	118.1346	1.287	14	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[3x6]	H	3:3:1:	6:3:3:	3:	N[3x6]-3:C[6]-3:H-1:	Nb[3x6]-6:C[3x6]-3:C[6]-3:	C[6]-3:	C[6](N[3x6]Nb[3x6]C[3x6])(C[6]C[6]H)(H)	N[3x6](Nb[3x6]N[6,6]2N[6]ClN)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	H(C[6]N[3x6]C[6])	C[6](N[3x6]Nb[3x6]C[3x6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,3|N<3>}	N[3x6](Nb[3x6]N[6,6]2N[6]ClN)(C[3x6]C[3x6]C[6])(C[6]C[6]H){2|Si<4>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]N[3x6]C[6])	118.4430	0.000	1	118.4430	0.000	1	118.4430	0.000	1	118.4430	0.000	1	118.1346	1.287	14	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[3x6]	H	3:3:1:	6:4:3:	3:	C[6,6a]-3:N[3x6]-3:H-1:	Ga[6x6]-6:C[6,6]-4:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[3x6]Ga[6x6]C[6,6])(H)	N[3x6](Ga[6x6]N[3x6]2O[6]3)(C[6,6]C[3x6]HH)(C[6]C[6,6a]H)	H(C[6]C[6,6a]N[3x6])	C[6](C[6,6a]C[6,6a]C[6a])(N[3x6]Ga[6x6]C[6,6])(H){1|C<4>,2|C<3>,2|N<3>,3|H<1>,3|O<2>}	N[3x6](Ga[6x6]N[3x6]2O[6]3)(C[6,6]C[3x6]HH)(C[6]C[6,6a]H){3|C<4>,6|C<3>}	H(C[6]C[6,6a]N[3x6])	117.4037	0.185	3	117.4037	0.034	3	117.4037	0.034	3	117.0348	0.274	5	118.1346	1.287	14	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[3x6]	H	3:3:1:	6:4:3:	3:	C[6,6a]-3:N[3x6]-3:H-1:	In[6x6]-6:C[6,6]-4:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[3x6]In[6x6]C[6,6])(H)	N[3x6](In[6x6]N[3x6]2O[6]3)(C[6,6]C[3x6]HH)(C[6]C[6,6a]H)	H(C[6]C[6,6a]N[3x6])	C[6](C[6,6a]C[6,6a]C[6a])(N[3x6]In[6x6]C[6,6])(H){1|C<4>,2|C<3>,2|N<3>,3|H<1>,3|O<2>}	N[3x6](In[6x6]N[3x6]2O[6]3)(C[6,6]C[3x6]HH)(C[6]C[6,6a]H){3|C<4>,6|C<3>}	H(C[6]C[6,6a]N[3x6])	116.4815	0.088	2	116.4815	0.008	2	116.4815	0.008	2	117.0348	0.274	5	118.1346	1.287	14	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[3x6]	H	3:3:1:	7:3:3:	3:	N[3x6]-3:C[6]-3:H-1:	Nb[3,3,3x6]-7:C[3x6]-3:C[6]-3:	C[6]-3:	C[6](N[3x6]Nb[3,3,3x6]C[3x6])(C[6]C[6]H)(H)	N[3x6](Nb[3,3,3x6]N[3,6,6]C[3,3]N[6,6]N[3]ClN)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	H(C[6]N[3x6]C[6])	C[6](N[3x6]Nb[3,3,3x6]C[3x6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,2|C<4>,3|N<3>}	N[3x6](Nb[3,3,3x6]N[3,6,6]C[3,3]N[6,6]N[3]ClN)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|Si<4>,1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]N[3x6]C[6])	118.1060	0.204	4	118.1060	0.042	4	118.1060	0.042	4	118.1060	0.042	4	118.1346	1.287	14	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:2:1:	3:3:3:	3:	N[6,6]-3:N[6]-2:H-1:	C[5a,6,6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[5a,6,6]C[6])(N[6]C[6])(H)	N[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]H)(C[6]N[6]H)	H(C[6]N[6,6]N[6])	C[6](N[6,6]C[5a,6,6]C[6])(N[6]C[6])(H){1|H<1>,2|C<3>,2|N<3>}	N[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]H)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]N[6,6]N[6])	117.6610	0.000	1	117.6610	0.000	1	117.6610	0.000	1	117.6610	0.000	1	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:2:1:	3:4:3:	3:	N[6,6]-3:N[6]-2:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	H(C[6]N[6,6]N[6])	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|Cl<1>,1|O<2>,2|C<3>,2|F<1>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){1|H<1>,3|C<3>}	H(C[6]N[6,6]N[6])	116.4970	0.000	1	116.8877	0.102	7	116.8877	0.102	7	116.5355	1.080	8	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:2:1:	3:4:3:	3:	N[6,6]-3:N[6]-2:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	H(C[6]N[6,6]N[6])	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|Cl<1>,1|O<2>,2|C<3>,2|F<1>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){2|C<3>,2|H<1>}	H(C[6]N[6,6]N[6])	117.1322	0.128	4	116.8877	0.102	7	116.8877	0.102	7	116.5355	1.080	8	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:2:1:	3:4:3:	3:	N[6,6]-3:N[6]-2:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	H(C[6]N[6,6]N[6])	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){1|H<1>,3|C<3>}	H(C[6]N[6,6]N[6])	116.5780	0.000	1	116.8877	0.102	7	116.8877	0.102	7	116.5355	1.080	8	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:2:1:	3:4:3:	3:	N[6,6]-3:N[6]-2:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	H(C[6]N[6,6]N[6])	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){2|C<3>,2|F<1>,2|O<2>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){1|H<1>,3|C<3>}	H(C[6]N[6,6]N[6])	116.6100	0.000	1	116.8877	0.102	7	116.8877	0.102	7	116.5355	1.080	8	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:2:1:	3:4:3:	3:	N[6,6]-3:N[6]-2:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6])(H)	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6]CO)(C[6]N[6]H)	H(C[6]N[6,6]N[6])	C[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6])(H){1|C<3>,1|O<2>,2|C<4>,2|N<3>}	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6]CO)(C[6]N[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]N[6,6]N[6])	114.0700	0.000	1	114.0700	0.000	1	114.0700	0.000	1	116.5355	1.080	8	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:2:1:	4:3:3:	3:	N[6,6]-3:N[6]-2:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]N[6]H)	H(C[6]N[6,6]N[6])	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|Cl<1>,1|O<2>,4|C<3>}	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]N[6]H){2|H<1>,6|C<3>}	H(C[6]N[6,6]N[6])	116.7516	0.111	5	116.7516	0.012	5	116.6097	0.053	13	116.6097	0.053	13	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:2:1:	4:3:3:	3:	N[6,6]-3:N[6]-2:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	H(C[6]N[6,6]N[6])	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|Cl<1>,1|N<3>,2|C<3>,2|F<1>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6]N[6,6]N[6])	116.6645	0.132	2	116.4762	0.054	4	116.6097	0.053	13	116.6097	0.053	13	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:2:1:	4:3:3:	3:	N[6,6]-3:N[6]-2:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	H(C[6]N[6,6]N[6])	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6]N[6,6]N[6])	116.3250	0.000	1	116.4762	0.054	4	116.6097	0.053	13	116.6097	0.053	13	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:2:1:	4:3:3:	3:	N[6,6]-3:N[6]-2:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	H(C[6]N[6,6]N[6])	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){2|C<3>,2|F<1>,2|N<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6]N[6,6]N[6])	116.2510	0.000	1	116.4762	0.054	4	116.6097	0.053	13	116.6097	0.053	13	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:2:1:	4:3:3:	3:	N[6,6]-3:N[6]-2:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	H(C[6]N[6,6]N[6])	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|Cl<1>,1|N<3>,2|C<3>,2|F<1>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6]N[6,6]N[6])	116.9710	0.000	1	116.5658	0.081	4	116.6097	0.053	13	116.6097	0.053	13	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:2:1:	4:3:3:	3:	N[6,6]-3:N[6]-2:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	H(C[6]N[6,6]N[6])	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6]N[6,6]N[6])	116.4255	0.156	2	116.5658	0.081	4	116.6097	0.053	13	116.6097	0.053	13	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:2:1:	4:3:3:	3:	N[6,6]-3:N[6]-2:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	H(C[6]N[6,6]N[6])	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){2|C<3>,2|F<1>,2|N<3>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6]N[6,6]N[6])	116.4410	0.000	1	116.5658	0.081	4	116.6097	0.053	13	116.6097	0.053	13	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:3:2:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6,6a]-3:C[6]-3:O[6]-2:	C[6]-3:	C[6](N[6,6]C[6,6,6a]O[6])(C[6]C[6]H)(H)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)(O[6]B[6])	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6,6a]O[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)(O[6]B[6]){1|F<1>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]N[6,6]C[6])	120.0150	0.000	1	120.0150	0.000	1	120.0150	0.000	1	120.0150	0.000	1	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[5a,6,6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[5a,6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]H)(C[6]N[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[5a,6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]H)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]N[6,6]C[6])	120.0810	0.000	1	120.0810	0.000	1	120.0810	0.000	1	119.3509	0.532	25	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[5a,6]C[6,6])(C[6]C[6]H)(H)	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]S[6])(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[5a,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]S[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6])	119.1810	0.000	1	119.1810	0.000	1	119.1810	0.000	1	119.3509	0.532	25	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6,6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(C[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6])	119.4410	0.000	1	119.4410	0.000	1	119.4410	0.000	1	119.3509	0.532	25	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]2)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]2)(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6])	119.5380	0.000	1	119.5380	0.000	1	119.5380	0.000	1	119.3509	0.532	25	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	H(C[6]N[6,6]C[6])	119.1420	0.000	1	119.1420	0.000	1	119.8123	0.456	11	119.3509	0.532	25	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]N)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]N){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]N[6,6]C[6])	119.2540	0.000	1	119.2540	0.000	1	119.8123	0.456	11	119.3509	0.532	25	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cu<5>,1|C<4>,1|H<1>,1|O<3>,2|C<3>}	H(C[6]N[6,6]C[6])	119.8770	0.000	1	120.0190	0.093	5	119.8123	0.456	11	119.3509	0.532	25	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Mn<6>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]N[6,6]C[6])	120.2710	0.000	1	120.0190	0.093	5	119.8123	0.456	11	119.3509	0.532	25	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ni<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]N[6,6]C[6])	120.0955	0.456	2	120.0190	0.093	5	119.8123	0.456	11	119.3509	0.532	25	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Zn<5>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]N[6,6]C[6])	119.7560	0.000	1	120.0190	0.093	5	119.8123	0.456	11	119.3509	0.532	25	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]N[6,6]C[6])	120.7055	0.104	2	120.7055	0.011	2	119.8123	0.456	11	119.3509	0.532	25	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6,6](C[6,6]N[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	H(C[6]N[6,6]C[6])	119.0165	0.586	2	119.0165	0.344	2	119.8123	0.456	11	119.3509	0.532	25	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:Ge[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]Cl)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]Cl)(C[6]C[6]H){2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6])	118.3135	0.197	2	118.3135	0.039	2	118.2777	0.023	3	119.3509	0.532	25	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:Ge[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]N)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]N)(C[6]C[6]H){2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6])	118.2060	0.000	1	118.2060	0.000	1	118.2777	0.023	3	119.3509	0.532	25	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){1|F<1>,2|H<1>,5|C<3>}	H(C[6]N[6,6]C[6])	119.1810	0.000	1	119.1810	0.000	1	119.3735	0.074	2	119.3509	0.532	25	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H){1|N<2>,3|C<3>,4|H<1>}	H(C[6]N[6,6]C[6])	119.5660	0.000	1	119.5660	0.000	1	119.3735	0.074	2	119.3509	0.532	25	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:N[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6])	118.6940	0.000	1	118.6940	0.000	1	118.6940	0.000	1	119.3509	0.532	25	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	Ge[5,6]-3:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]Ge[5,6]C[6,6])(C[6]C[6]H)(H)	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]Ge[5,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|N<4>}	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6])	118.6080	0.000	1	118.6825	0.011	2	118.6825	0.011	2	119.3509	0.532	25	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	Ge[5,6]-3:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]Ge[5,6]C[6,6])(C[6]C[6]H)(H)	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]Ge[5,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	N[6,6](Ge[5,6]N[5,6,6]N[5,6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]N[6,6]C[6])	118.7570	0.000	1	118.6825	0.011	2	118.6825	0.011	2	119.3509	0.532	25	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](N[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]O)	H(C[6]N[6,6]C[6])	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6])	118.7820	0.000	1	118.7820	0.000	1	118.7820	0.000	1	119.3509	0.532	25	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	O[6,6]-3:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]O[6,6])(C[6]C[6]H)(H)	N[6,6](O[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]O[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	N[6,6](O[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,3|C<4>,7|H<1>}	H(C[6]N[6,6]C[6])	119.1750	0.000	1	119.1750	0.000	1	119.1750	0.000	1	119.3509	0.532	25	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6])	118.6054	1.526	8	118.6054	2.328	8	118.6054	2.328	8	118.5049	2.127	9	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:3:4:	3:	N[6,6]-3:N[6,6]-3:H-1:	C[6,6]-3:C[6]-3:B[6]-4:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])2(H)	N[6,6](C[6,6]C[6]2)(C[6]N[6,6]H)(B[6]O[6]FF)	H(C[6]N[6,6]2)	C[6](N[6,6]C[6,6]B[6])2(H){2|O<2>,3|C<3>,4|F<1>}	N[6,6](C[6,6]C[6]2)(C[6]N[6,6]H)(B[6]O[6]FF){1|B<4>,2|C<3>,2|H<1>}	H(C[6]N[6,6]2)	117.7010	0.000	1	117.7010	0.000	1	117.7010	0.000	1	118.5049	2.127	9	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	C[5a,6]-3:N[6,6]-3:H-1:	N[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	H(C[6]C[5a,6]N[6,6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	H(C[6]C[5a,6]N[6,6])	117.0831	0.135	7	117.1166	0.074	12	117.1166	0.074	12	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	C[5a,6]-3:N[6,6]-3:H-1:	N[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	H(C[6]C[5a,6]N[6,6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	H(C[6]C[5a,6]N[6,6])	116.9043	0.177	3	117.1166	0.074	12	117.1166	0.074	12	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	C[5a,6]-3:N[6,6]-3:H-1:	N[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	H(C[6]C[5a,6]N[6,6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|Br<1>,1|B<4>,1|N<3>,2|F<1>,3|C<3>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	H(C[6]C[5a,6]N[6,6])	117.5520	0.346	2	117.1166	0.074	12	117.1166	0.074	12	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6a]N[6,6])(N[6,6]C[6,6]B[6])(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6,6]H)	H(C[6]C[6,6]N[6,6])	C[6](C[6,6]C[6,6a]N[6,6])(N[6,6]C[6,6]B[6])(H){1|B<4>,1|C<4>,6|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6,6]H){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	H(C[6]C[6,6]N[6,6])	118.1355	0.169	4	118.1355	0.028	4	118.1355	0.028	4	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6,6a]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6,6a]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]C[6a]2O[6])(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6,6a]B[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]C[6a]2O[6])(C[6]C[6]H){1|H<1>,8|C<3>}	H(C[6]N[6,6]C[6])	113.1010	0.000	1	113.1010	0.000	1	116.1095	18.102	2	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6,6a]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6,6a]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]O[6]CF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6,6a]B[6])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]O[6]CF)(C[6]C[6]H){1|H<1>,4|C<3>}	H(C[6]N[6,6]C[6])	119.1180	0.000	1	119.1180	0.000	1	116.1095	18.102	2	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]C)(H)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6])	119.1100	0.000	1	119.1100	0.000	1	117.5621	13.196	9	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6])	115.2695	2.787	2	115.2695	7.766	2	117.5621	13.196	9	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6])	118.0683	4.083	6	118.0683	16.672	6	117.5621	13.196	9	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]FF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6,6a]H)(H){1|O<2>,2|F<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6])	118.6540	0.000	1	118.6540	0.000	1	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6]C[6,6a]N[6])(B[6]O[6]FF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6,6a]H)(H){1|N<2>,1|O<2>,2|C<3>,2|F<1>}	N[6,6](C[6,6]C[6,6a]N[6])(B[6]O[6]FF)(C[6]C[6]H){1|H<1>,3|C<3>}	H(C[6]N[6,6]C[6])	118.8655	0.062	2	118.8655	0.004	2	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6,6]C[6])	118.5430	0.000	1	118.5430	0.000	1	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[5a,6]C[6])(B[6]N[6]FF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[6,6](C[6,6]C[5a,6]C[6])(B[6]N[6]FF)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6])	118.9220	0.000	1	118.9220	0.000	1	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]Br2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]Br2)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6])	118.7290	0.000	1	118.7290	0.000	1	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]FF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]FF)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6])	119.0400	0.000	1	119.0400	0.000	1	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]II)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|I<1>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6]II)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6])	118.8100	0.000	1	118.8100	0.000	1	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H){1|N<2>,4|H<1>,6|C<3>}	H(C[6]N[6,6]C[6])	118.4670	0.000	1	118.4597	0.015	4	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]C[6]H){4|H<1>,7|C<3>}	H(C[6]N[6,6]C[6])	118.4573	0.152	3	118.4597	0.015	4	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]N[5a,6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	H(C[6]N[6,6]C[6])	118.8560	0.000	1	118.8560	0.000	1	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|F<1>,1|O<2>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6])	119.1420	0.000	1	119.2927	0.071	3	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6,6]C[6])	119.6000	0.000	1	119.2927	0.071	3	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]O[6]CF)(C[6]C[6]H){2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6])	119.1360	0.000	1	119.2927	0.071	3	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]N[6]CC)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]CC)(C[6]C[6]H){2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6])	118.4560	0.000	1	118.4560	0.000	1	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]N[6,6]C[6])	119.0870	0.093	2	118.5523	1.463	8	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]N[6,6]C[6])	115.5930	0.000	1	118.5523	1.463	8	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6])	119.0410	0.000	2	118.5523	1.463	8	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	H(C[6]N[6,6]C[6])	118.6985	0.025	2	118.5523	1.463	8	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[6,6](C[6,6]C[6]2)(B[6]N[6]FF)(C[6]C[6]H){3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6])	119.1720	0.000	1	118.5523	1.463	8	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	H(C[6]N[6,6]C[6])	118.6980	0.159	6	118.6980	0.025	6	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]CF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]CF)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]N[6,6]C[6])	119.3080	0.000	1	119.3080	0.000	1	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|F<1>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6])	119.5640	0.000	1	119.0531	0.084	7	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,3|H<1>}	H(C[6]N[6,6]C[6])	119.0024	0.202	5	119.0531	0.084	7	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6])	118.7960	0.000	1	119.0531	0.084	7	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5,6]FF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	N[6,6](C[6,6]C[6]N[6])(B[6]N[5,6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6])	118.9662	0.067	5	118.9662	0.004	5	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6]N[6,6]C[6])	119.3095	0.076	2	119.2120	0.031	3	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6])	119.0170	0.000	1	119.2120	0.031	3	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(B[6]N[6,6]FF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	N[6,6](C[6,6]C[6]N[6])(B[6]N[6,6]FF)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6]N[6,6]C[6])	119.0950	0.000	1	119.0950	0.000	1	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(B[6]O[6]FF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|F<1>}	N[6,6](C[6,6]C[6]N[6])(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,2|H<1>}	H(C[6]N[6,6]C[6])	119.0620	0.276	5	119.0620	0.076	5	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]N[5a,6]C[6])(B[6]C[6a]2O[6])(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[6,6](C[6,6]N[5a,6]C[6])(B[6]C[6a]2O[6])(C[6]C[6]H){1|N<2>,2|H<1>,6|C<3>}	H(C[6]N[6,6]C[6])	118.7450	0.000	1	118.7450	0.000	1	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]N[6]C)(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]N[6]C)(H){1|O<2>,2|C<3>,2|F<1>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]N[6,6]C[6])	119.2925	0.252	2	119.2925	0.064	2	118.8740	0.282	56	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]O)(H)	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6])	119.5730	0.000	1	119.5730	0.000	1	119.1391	1.872	79	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6]C[6,6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]2)(C[6]C[6]HH)(C[6]C[6]H){3|H<1>,4|C<3>}	H(C[6]N[6,6]C[6])	119.3009	0.775	30	119.3009	0.601	30	119.1391	1.872	79	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]N[6,6]C[6])	119.3650	0.014	2	119.3650	0.000	2	119.1391	1.872	79	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6])	119.2592	1.439	20	119.2899	1.794	23	119.1391	1.872	79	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6])	119.4520	0.000	1	119.2899	1.794	23	119.1391	1.872	79	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6])	119.5155	0.019	2	119.2899	1.794	23	119.1391	1.872	79	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]Rh)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Rh<9>,1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]Rh)(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]N[6,6]C[6])	119.5240	0.000	1	119.5240	0.000	1	119.1391	1.872	79	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,4|H<1>}	H(C[6]N[6,6]C[6])	119.6363	0.201	3	119.3931	0.048	14	119.1391	1.872	79	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,4|H<1>}	H(C[6]N[6,6]C[6])	119.2035	0.113	6	119.3931	0.048	14	119.1391	1.872	79	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,4|H<1>}	H(C[6]N[6,6]C[6])	119.4748	0.113	5	119.3931	0.048	14	119.1391	1.872	79	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	H(C[6]N[6,6]C[6])	116.2520	0.000	1	116.2520	0.000	1	119.1391	1.872	79	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]N[6,6]C[6])	113.3310	0.000	1	112.9770	0.251	2	119.1391	1.872	79	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]N[6,6]C[6])	112.6230	0.000	1	112.9770	0.251	2	119.1391	1.872	79	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]N[6,6]C[6])	119.3550	0.000	1	119.1985	0.049	2	119.1391	1.872	79	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6])	119.0420	0.000	1	119.1985	0.049	2	119.1391	1.872	79	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(C[6]N[6,6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]N[6,6]HH)(C[6]C[6]H){2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6])	119.7855	0.118	2	119.7855	0.014	2	119.1391	1.872	79	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<4>,3|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6])	119.7840	0.000	1	119.7840	0.000	1	119.1391	1.872	79	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-3:S[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a]OO)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]H)(H){1|C<4>,1|N<2>,2|C<3>,2|O<1>}	N[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a]OO)(C[6]C[6]H){2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6])	119.3570	0.000	1	119.3570	0.000	1	119.3570	0.000	1	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	3:4:3:	3:	N[6,6]-3:N[6,6]-3:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])2(H)	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]N[6,6]H)	H(C[6]N[6,6]2)	C[6](N[6,6]C[6,6]B[6])2(H){2|C<4>,7|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(B[6]C[6a]2C[6])(C[6]N[6,6]H){1|B<4>,1|C<4>,2|H<1>,7|C<3>}	H(C[6]N[6,6]2)	118.0695	0.052	2	118.0695	0.003	2	118.0695	0.003	2	118.7433	2.197	165	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	C[5a,6]-3:N[6,6]-3:H-1:	B[6]-4:N[6,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	N[6,6](B[6]N[5a,6]C[6a]2)(N[6,6]B[6]C[6])(C[6]C[5a,6]H)	H(C[6]C[5a,6]N[6,6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|H<1>,1|N<3>,5|C<3>}	N[6,6](B[6]N[5a,6]C[6a]2)(N[6,6]B[6]C[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,9|C<3>}	H(C[6]C[5a,6]N[6,6])	116.6260	0.311	2	116.6260	0.097	2	116.6260	0.097	2	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	C[6,6]-3:N[6,6]-3:H-1:	B[3x6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6a]N[6,6])(N[6,6]B[3x6]C[6,6])(H)	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6,6]H)	H(C[6]C[6,6]N[6,6])	C[6](C[6,6]C[6,6a]N[6,6])(N[6,6]B[3x6]C[6,6])(H){1|B<4>,3|C<4>,4|C<3>}	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6,6]H){1|N<3>,3|C<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]N[6,6])	118.0650	0.000	1	118.0650	0.000	1	118.0650	0.000	1	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	B[3x6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]B[3x6]C[6,6])(C[6]C[6]H)(H)	N[6,6](B[3x6]C[6,6]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]B[3x6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6,6](B[3x6]C[6,6]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|C<3>,4|C<4>,5|H<1>}	H(C[6]N[6,6]C[6])	118.6290	0.000	1	118.6290	0.000	1	118.6290	0.000	1	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	B[5,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H)	N[6,6](B[5,6]C[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	N[6,6](B[5,6]C[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){1|N<2>,3|H<1>,8|C<3>}	H(C[6]N[6,6]C[6])	118.5650	0.000	1	118.4170	0.040	3	118.5816	0.079	5	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	B[5,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H)	N[6,6](B[5,6]C[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	N[6,6](B[5,6]C[5,6]C[6a]C[5])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){3|H<1>,9|C<3>}	H(C[6]N[6,6]C[6])	118.3430	0.215	2	118.4170	0.040	3	118.5816	0.079	5	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	B[5,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H)	N[6,6](B[5,6]C[5,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	N[6,6](B[5,6]C[5,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	H(C[6]N[6,6]C[6])	118.6980	0.000	1	118.6980	0.000	1	118.5816	0.079	5	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	B[5,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H)	N[6,6](B[5,6]C[6,6a]O[5]2)(C[6,6]C[6]O[6])(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|O<2>}	N[6,6](B[5,6]C[6,6a]O[5]2)(C[6,6]C[6]O[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6])	118.9590	0.000	1	118.9590	0.000	1	118.5816	0.079	5	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	B[5a,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]B[5a,6]C[6,6])(C[6]C[6]H)(H)	N[6,6](B[5a,6]O[5a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]B[5a,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|O<2>}	N[6,6](B[5a,6]O[5a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	H(C[6]N[6,6]C[6])	118.7933	0.133	3	118.7933	0.018	3	118.7933	0.018	3	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	B[6,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]B[6,6]C[6,6])(C[6]C[6]H)(H)	N[6,6](B[6,6]C[6,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]B[6,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	N[6,6](B[6,6]C[6,6a]2O[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	H(C[6]N[6,6]C[6])	114.5510	3.445	2	114.5510	11.868	2	114.5510	11.868	2	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	B[6,6a]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]B[6,6a]C[6,6])(C[6]C[6]H)(H)	N[6,6](B[6,6a]O[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]B[6,6a]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|O<2>}	N[6,6](B[6,6a]O[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,5|C<3>}	H(C[6]N[6,6]C[6])	118.9130	0.076	3	118.9130	0.006	3	118.9130	0.006	3	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]C[6,6a]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	N[6,6](B[6]C[6,6a]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H){3|H<1>,7|C<3>}	H(C[6]N[6,6]C[6])	118.1960	0.000	1	118.1960	0.000	1	118.6424	0.215	30	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]C[6,6a]C[6a]F)(C[6,6]C[6]N[6])(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	N[6,6](B[6]C[6,6a]C[6a]F)(C[6,6]C[6]N[6])(C[6]C[6]H){3|H<1>,5|C<3>}	H(C[6]N[6,6]C[6])	118.2760	0.000	1	118.2760	0.000	1	118.6424	0.215	30	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,8|C<3>}	H(C[6]N[6,6]C[6])	118.2930	0.000	1	118.5443	0.031	4	118.6424	0.215	30	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	N[6,6](B[6]C[6a]2N[6])(C[6,6]C[6]2)(C[6]C[6]H){4|H<1>,6|C<3>}	H(C[6]N[6,6]C[6])	118.6280	0.070	3	118.5443	0.031	4	118.6424	0.215	30	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]N[6,6]C[6])	118.6743	0.071	3	118.7314	0.010	5	118.6424	0.215	30	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,7|C<3>}	H(C[6]N[6,6]C[6])	118.7730	0.000	1	118.7314	0.010	5	118.6424	0.215	30	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){3|H<1>,6|C<3>}	H(C[6]N[6,6]C[6])	118.8610	0.000	1	118.7314	0.010	5	118.6424	0.215	30	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]N[5,6]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6,6](B[6]N[5,6]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H){2|H<1>,7|C<3>}	H(C[6]N[6,6]C[6])	118.4920	0.000	1	118.4920	0.000	1	118.6424	0.215	30	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6])	118.8833	0.325	4	118.8768	0.064	6	118.6424	0.215	30	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6])	118.8640	0.038	2	118.8768	0.064	6	118.6424	0.215	30	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]N[5a,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[6,6](B[6]N[5a,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6])	118.9290	0.071	2	118.9290	0.005	2	118.6424	0.215	30	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6])	118.7542	0.215	4	118.8111	0.044	7	118.6424	0.215	30	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,4|C<3>}	H(C[6]N[6,6]C[6])	118.7710	0.119	2	118.8111	0.044	7	118.6424	0.215	30	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6])	119.1190	0.000	1	118.8111	0.044	7	118.6424	0.215	30	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]C[6a]C[6])(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]C[6a]C[6])(H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]C[6]H){2|H<1>,4|C<3>}	H(C[6]N[6,6]C[6])	118.2580	0.000	1	118.2580	0.000	1	118.6424	0.215	30	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(C[6]N[6]C)(H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]B[6])(C[6]N[6]C)(H){1|O<2>,4|C<3>}	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	H(C[6]N[6,6]C[6])	117.7100	1.578	2	117.7100	2.491	2	118.6424	0.215	30	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6,6,6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6,6a]C[5,6])(C[6]C[6]H)(H)	N[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6,6a]C[5,6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H){1|Se<2>,1|C<4>,2|H<1>,5|C<3>}	H(C[6]N[6,6]C[6])	118.9790	0.000	1	118.9790	0.000	1	118.9790	0.000	1	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H)	N[6,6](C[6,6]N[5,6]C[6]H)(C[5,6]N[5,6]N[5])(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[5,6]N[5,6]N[5])(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]N[6,6]C[6])	119.7730	0.000	1	119.7730	0.000	1	119.7730	0.000	1	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]2)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[5a,6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]2)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	N[6,6](C[6,6]C[5a,6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]H){1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]N[6,6]C[6])	119.1550	0.000	1	119.1550	0.000	1	119.1550	0.000	1	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]O)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6])	118.4310	0.000	1	118.4310	0.000	1	118.8956	0.076	5	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	H(C[6]N[6,6]C[6])	118.9850	0.000	1	118.9850	0.000	1	118.8956	0.076	5	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]N[6,6]C[6])	118.8890	0.000	1	118.8890	0.000	1	118.8956	0.076	5	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]C[6]O)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6])	119.0210	0.000	1	119.0210	0.000	1	118.8956	0.076	5	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]N[6,6]C[6])	119.1520	0.000	1	119.1520	0.000	1	118.8956	0.076	5	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H){1|H<1>,1|N<2>,4|C<3>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]H){1|H<1>,6|C<3>}	H(C[6]N[6,6]C[6])	120.3790	0.000	1	120.3790	0.000	1	120.0897	0.071	3	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6])	119.9450	0.130	2	119.9450	0.017	2	120.0897	0.071	3	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	Ga[6,6]-4:C[6,6,6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6,6a]Ga[6,6])(C[6]C[6]H)(H)	N[6,6](Ga[6,6]C[6,6a]Cl[6,6]Cl)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6,6a]Ga[6,6])(C[6]C[6]H)(H){1|Cl<1>,1|Cl<2>,1|H<1>,3|C<3>}	N[6,6](Ga[6,6]C[6,6a]Cl[6,6]Cl)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H){1|Ga<4>,1|H<1>,5|C<3>}	H(C[6]N[6,6]C[6])	118.1855	0.156	2	118.1855	0.024	2	118.1855	0.024	2	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	Ga[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]Ga[6])(C[6]C[6]H)(H)	N[6,6](Ga[6]N[6,6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]Ga[6])(C[6]C[6]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6,6](Ga[6]N[6,6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,4|H<1>}	H(C[6]N[6,6]C[6])	119.3895	0.091	2	119.3895	0.008	2	119.3895	0.008	2	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	Ge[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	N[6,6](Ge[6]Ge[6]N[6]Fe)(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|Fe<5>,1|Ge<3>,1|H<1>,1|N<3>,2|C<3>}	N[6,6](Ge[6]Ge[6]N[6]Fe)(C[6,6]C[6]2)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>,2|N<3>}	H(C[6]N[6,6]C[6])	118.8870	0.000	1	118.8870	0.000	1	119.1770	0.173	4	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	Ge[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	N[6,6](Ge[6]N[6]BH)(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	N[6,6](Ge[6]N[6]BH)(C[6,6]C[6]2)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>}	H(C[6]N[6,6]C[6])	118.8600	0.000	1	118.8600	0.000	1	119.1770	0.173	4	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	Ge[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	N[6,6](Ge[6]N[6]ClB)(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|Cl<1>,1|B<4>,1|H<1>,1|N<3>,2|C<3>}	N[6,6](Ge[6]N[6]ClB)(C[6,6]C[6]2)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>}	H(C[6]N[6,6]C[6])	119.2070	0.000	1	119.2070	0.000	1	119.1770	0.173	4	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	Ge[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	N[6,6](Ge[6]N[6]ClCu)(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|Cl<1>,1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	N[6,6](Ge[6]N[6]ClCu)(C[6,6]C[6]2)(C[6]C[6]H){2|Si<4>,2|C<3>,2|H<1>}	H(C[6]N[6,6]C[6])	119.7540	0.000	1	119.7540	0.000	1	119.1770	0.173	4	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:3:	3:	N[6,6]-3:N[6,6]-3:H-1:	B[3x6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]B[3x6]C[6,6])2(H)	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]N[6,6]H)	H(C[6]N[6,6]2)	C[6](N[6,6]B[3x6]C[6,6])2(H){3|C<3>,6|C<4>}	N[6,6](B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])(C[6]N[6,6]H){1|B<4>,3|C<3>,4|H<1>,5|C<4>}	H(C[6]N[6,6]2)	116.8530	0.201	4	116.8530	0.040	4	116.8530	0.040	4	118.5182	1.226	70	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:4:	3:	C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]H)(C[6]C[6]HH)	H(C[6]C[6,6]N[6,6])	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6]N[6,6])	117.4930	0.000	1	117.4930	0.000	1	117.4930	0.000	1	118.2750	1.223	2	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6,6]-3:H-1:	B[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6])(H)	N[6,6](B[6,6]O[6]2O)(C[6]C[6,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6])(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	N[6,6](B[6,6]O[6]2O)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6,6])	119.0570	0.000	1	119.0570	0.000	1	119.0570	0.000	1	118.2750	1.223	2	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]C)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]C)(H){1|N<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H){1|C<3>,4|H<1>,6|C<4>}	H(C[6]N[6,6]C[6])	117.7715	0.203	2	117.7715	0.041	2	117.7715	0.041	2	117.0590	4.119	8	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){3|H<1>,4|C<3>}	H(C[6]N[6,6]C[6])	119.1420	0.000	1	119.1420	0.000	1	116.8215	5.488	6	117.0590	4.119	8	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,4|H<1>}	H(C[6]N[6,6]C[6])	116.9835	0.272	2	115.9540	5.908	4	116.8215	5.488	6	117.0590	4.119	8	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6])	114.9245	3.662	2	115.9540	5.908	4	116.8215	5.488	6	117.0590	4.119	8	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	4:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]N[6,6]C[6])	117.9710	0.000	1	117.9710	0.000	1	116.8215	5.488	6	117.0590	4.119	8	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	5:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	Ga[6]-5:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]Ga[6])(C[6]C[6]H)(H)	N[6,6](Ga[6]N[6,6]N[6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]Ga[6])(C[6]C[6]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	N[6,6](Ga[6]N[6,6]N[6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H){4|H<1>,5|C<3>}	H(C[6]N[6,6]C[6])	118.6120	0.000	1	118.6120	0.000	1	118.6120	0.000	1	118.6120	0.000	1	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	5:3:4:	3:	C[6,6a]-3:N[6,6]-3:H-1:	Ga[3x6]-5:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]Ga[3x6]C[6])(H)	N[6,6](Ga[3x6]N[6,6]O[6]2Cl)(C[6]C[6,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]Ga[3x6]C[6])(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	N[6,6](Ga[3x6]N[6,6]O[6]2Cl)(C[6]C[6,6a]H)(C[6]C[6]HH){3|C<4>,4|C<3>}	H(C[6]C[6,6a]N[6,6])	116.9575	0.141	2	116.9575	0.020	2	116.9575	0.020	2	116.9575	0.020	2	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	6:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	In[6]-6:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]In[6])(C[6]C[6]H)(H)	N[6,6](In[6]N[6,6]Cl3O)(C[6,6]C[6]N[6])(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]In[6])(C[6]C[6]H)(H){3|Cl<1>,1|C<3>,1|H<1>,1|O<2>,2|N<3>}	N[6,6](In[6]N[6,6]Cl3O)(C[6,6]C[6]N[6])(C[6]C[6]H){3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6])	118.4100	0.288	2	118.4100	0.083	2	118.5753	0.065	4	118.5208	0.064	5	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	6:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	In[6]-6:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]In[6])(C[6]C[6]H)(H)	N[6,6](In[6]N[6,6]O[5]Cl3)(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]In[6])(C[6]C[6]H)(H){3|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<3>}	N[6,6](In[6]N[6,6]O[5]Cl3)(C[6,6]C[6]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]N[6,6]C[6])	118.7405	0.057	2	118.7405	0.003	2	118.5753	0.065	4	118.5208	0.064	5	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:	6:3:3:	3:	N[6,6]-3:C[6]-3:H-1:	Nb[6]-6:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]Nb[6])(C[6]C[6]H)(H)	N[6,6](Nb[6]O[6]O4)(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]Nb[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,5|O<2>}	N[6,6](Nb[6]O[6]O4)(C[6,6]C[6]2)(C[6]C[6]H){2|C<3>,3|H<1>}	H(C[6]N[6,6]C[6])	118.3030	0.000	1	118.3030	0.000	1	118.3030	0.000	1	118.5208	0.064	5	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:	4:3:3:	3:	N[6,6]-3:C[6]-4:H-1:	S[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]S[6])(C[6]O[6]HH)(H)	N[6,6](S[6]C[6,6a]OO)(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]S[6])(C[6]O[6]HH)(H){2|O<1>,3|C<3>}	N[6,6](S[6]C[6,6a]OO)(C[6,6]C[6]2)(C[6]C[6]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]N[6,6]C[6])	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	118.4918	2.453	311	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	2:3:1:	3:3:1:	3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>}	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	H(C[6]N[6]2)	116.8648	0.519	8	116.6343	1.585	12	116.7730	1.912	85	116.7853	1.903	86	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	2:3:1:	3:3:1:	3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	H(C[6]N[6]2)	116.1732	2.181	4	116.6343	1.585	12	116.7730	1.912	85	116.7853	1.903	86	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	2:3:1:	3:3:1:	3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	N[6](C[6]C[5,6]O)(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>}	N[6](C[6]C[5,6]O)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	H(C[6]N[6]2)	117.0160	0.227	4	117.0160	0.052	4	116.7730	1.912	85	116.7853	1.903	86	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	2:3:1:	3:3:1:	3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	N[6](C[6]C[5,6]S)(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<2>}	N[6](C[6]C[5,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	H(C[6]N[6]2)	115.0975	3.065	2	115.0975	9.396	2	116.7730	1.912	85	116.7853	1.903	86	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	2:3:1:	3:3:1:	3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<1>,1|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	H(C[6]N[6]2)	117.8020	0.000	1	116.7606	2.103	60	116.7730	1.912	85	116.7853	1.903	86	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	2:3:1:	3:3:1:	3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	H(C[6]N[6]2)	114.0410	3.456	2	116.7606	2.103	60	116.7730	1.912	85	116.7853	1.903	86	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	2:3:1:	3:3:1:	3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	H(C[6]N[6]2)	116.9010	0.000	1	116.7606	2.103	60	116.7730	1.912	85	116.7853	1.903	86	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	2:3:1:	3:3:1:	3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	H(C[6]N[6]2)	116.7491	1.449	45	116.7606	2.103	60	116.7730	1.912	85	116.7853	1.903	86	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	2:3:1:	3:3:1:	3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	H(C[6]N[6]2)	117.1948	0.421	11	116.7606	2.103	60	116.7730	1.912	85	116.7853	1.903	86	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	2:3:1:	3:3:1:	3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|S<1>}	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	H(C[6]N[6]2)	117.5455	0.155	2	117.4567	0.033	7	116.7730	1.912	85	116.7853	1.903	86	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	2:3:1:	3:3:1:	3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|S<3>}	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	H(C[6]N[6]2)	117.2690	0.000	1	117.4567	0.033	7	116.7730	1.912	85	116.7853	1.903	86	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	2:3:1:	3:3:1:	3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<1>}	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	H(C[6]N[6]2)	117.6090	0.021	2	117.4567	0.033	7	116.7730	1.912	85	116.7853	1.903	86	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	2:3:1:	3:3:1:	3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<1>}	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	H(C[6]N[6]2)	117.4380	0.000	1	117.4567	0.033	7	116.7730	1.912	85	116.7853	1.903	86	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	2:3:1:	3:3:1:	3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<1>}	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){2|C<3>}	H(C[6]N[6]2)	117.1810	0.000	1	117.4567	0.033	7	116.7730	1.912	85	116.7853	1.903	86	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	2:3:1:	3:3:1:	3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](N[6]C[6,6a])(N[6]C[6]O)(H)	N[6](C[6]C[6,6a]C)(C[6]N[6]H)(O)	H(C[6]N[6]2)	C[6](N[6]C[6,6a])(N[6]C[6]O)(H){3|C<3>}	N[6](C[6]C[6,6a]C)(C[6]N[6]H)(O){2|C<3>}	H(C[6]N[6]2)	117.8310	0.000	1	117.8310	0.000	1	117.8310	0.000	1	116.7853	1.903	86	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	2:3:1:	3:3:4:	3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]C)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH)	H(C[6]N[6]2)	C[6](N[6]C[5a,6])(N[6]C[6]C)(H){1|C<3>,1|N<2>,1|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH){1|C<3>,1|N<2>}	H(C[6]N[6]2)	115.9300	0.064	3	116.4070	0.285	6	116.3231	0.234	9	116.3231	0.234	9	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	2:3:1:	3:3:4:	3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]C)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH)	H(C[6]N[6]2)	C[6](N[6]C[5a,6])(N[6]C[6]C)(H){1|C<3>,2|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH){1|C<3>,1|N<2>}	H(C[6]N[6]2)	116.8840	0.159	3	116.4070	0.285	6	116.3231	0.234	9	116.3231	0.234	9	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	2:3:1:	3:3:4:	3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]C)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CC[6a]HH)	H(C[6]N[6]2)	C[6](N[6]C[5a,6])(N[6]C[6]C)(H){1|C<3>,1|N<2>,1|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CC[6a]HH){1|C<3>,1|N<2>}	H(C[6]N[6]2)	115.9295	0.124	2	115.9295	0.015	2	116.3231	0.234	9	116.3231	0.234	9	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	2:3:1:	3:3:4:	3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]C)(H)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(CC[6a]HH)	H(C[6]N[6]2)	C[6](N[6]C[5a,6])(N[6]C[6]C)(H){1|C<3>,1|N<3>,1|S<1>}	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(CC[6a]HH){2|C<3>}	H(C[6]N[6]2)	116.6070	0.000	1	116.6070	0.000	1	116.3231	0.234	9	116.3231	0.234	9	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	2:3:1:	4:3:3:	3:	N[6]-2:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](N[6]C[6,6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6]N[6]H)(CCO)	H(C[6]N[6]2)	C[6](N[6]C[6,6a])(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6]N[6]H)(CCO){1|H<1>,1|N<3>,3|C<3>}	H(C[6]N[6]2)	117.0920	0.000	1	117.0920	0.000	1	117.0920	0.000	1	117.0920	0.000	1	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:2:1:	3:2:1:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:	C[6](N[6]C[6]H)(C[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6])(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.2100	0.000	1	120.2100	0.000	1	120.2100	0.000	1	120.2100	0.000	1	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:2:1:	3:3:1:	3:	N[6]-3:C[6]-2:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6]H)(C[6]C[6])(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){4|C<3>}	H(C[6]C[6]N[6])	117.1580	0.000	1	117.1580	0.000	1	117.1580	0.000	1	117.0436	2.088	43	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:2:1:	3:3:1:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(C[6]C[6])(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>}	H(C[6]C[6]N[6])	121.3950	0.000	1	119.9220	4.734	3	119.9220	4.734	3	117.0436	2.088	43	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:2:1:	3:3:1:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(C[6]C[6])(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.1855	2.493	2	119.9220	4.734	3	119.9220	4.734	3	117.0436	2.088	43	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6]H)(N[6]C[6])(H)	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[5,6]H)(N[6]C[6])(H){1|C<3>,2|N<3>}	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)(H){1|Pt<6>,1|N<3>,2|C<3>}	H(C[6]N[6]2)	116.9660	0.000	1	116.9660	0.000	1	116.9660	0.000	1	117.0436	2.088	43	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6]H)(N[6]C[6])(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[5a,6]H)(N[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H){1|N<3>,2|C<3>}	H(C[6]N[6]2)	116.8935	0.385	16	116.4651	2.209	18	116.4651	2.209	18	117.0436	2.088	43	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6]H)(N[6]C[6])(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[5a,6]H)(N[6]C[6])(H){1|C<3>,2|N<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H){1|N<3>,2|C<3>}	H(C[6]N[6]2)	113.0380	2.984	2	116.4651	2.209	18	116.4651	2.209	18	117.0436	2.088	43	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[6,6a]H)(N[6]C[6,6a])(H){1|C<3>,2|N<2>}	N[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]H)(H){3|C<3>}	H(C[6]N[6]2)	116.6380	0.000	1	116.6380	0.000	1	116.9411	0.289	17	117.0436	2.088	43	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[6,6a]H)(N[6]C[6])(H){1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,3|C<3>}	H(C[6]N[6]2)	117.0640	0.205	2	117.1661	0.042	10	116.9411	0.289	17	117.0436	2.088	43	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[6,6a]H)(N[6]C[6])(H){1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,3|C<3>}	H(C[6]N[6]2)	117.1916	0.211	8	117.1661	0.042	10	116.9411	0.289	17	117.0436	2.088	43	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]S[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[6,6a]H)(N[6]S[6])(H){2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,1|S<4>,2|C<3>}	H(C[6]N[6]2)	116.6165	0.777	6	116.6165	0.603	6	116.9411	0.289	17	117.0436	2.088	43	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>}	H(C[6]N[6]2)	118.2050	0.677	3	118.2050	0.458	3	118.2050	0.458	3	117.0436	2.088	43	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:2:1:	3:3:2:	3:	N[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](N[6]C[6]O)(N[6]C[6])(H)	N[6](C[6]C[6]N)(C[6]N[6]H)(OC)	H(C[6]N[6]2)	C[6](N[6]C[6]O)(N[6]C[6])(H){1|C<2>,1|C<3>,1|N<2>}	N[6](C[6]C[6]N)(C[6]N[6]H)(OC){1|C<3>,1|N<3>}	H(C[6]N[6]2)	115.2690	0.000	1	115.2690	0.000	1	115.2690	0.000	1	115.2690	0.000	1	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:2:1:	3:3:3:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](N[6]C[6]C)(C[6]C[6])(H)	N[6](C[6]C[6]H)2(CN[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CN[6]H){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	110.8830	0.000	1	110.8830	0.000	1	110.8830	0.000	1	110.8830	0.000	1	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:2:1:	3:3:4:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(C[6]C[6])(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](N[6]C[6]C)(C[6]C[6])(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	116.3210	0.000	1	116.3210	0.000	1	117.5888	21.016	5	117.4830	14.154	7	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:2:1:	3:3:4:	3:	N[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(C[6]C[6])(H)	N[6](C[6]C[6]H)2(CN[6]HH)	H(C[6]C[6]N[6])	C[6](N[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CN[6]HH){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	117.9057	5.230	4	117.9057	27.352	4	117.5888	21.016	5	117.4830	14.154	7	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:2:1:	3:3:4:	3:	N[6]-3:N[6]-2:H-1:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5a,6]C)(N[6]C[6])(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(CH3)	H(C[6]N[6]2)	C[6](N[6]C[5a,6]C)(N[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(CH3){1|N<3>,2|C<3>}	H(C[6]N[6]2)	116.6420	0.000	1	116.6420	0.000	1	116.6420	0.000	1	117.4830	14.154	7	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:2:1:	3:3:4:	3:	N[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	H(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6])(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,1|H<1>}	H(C[6]N[6]2)	117.7950	0.000	1	117.7950	0.000	1	117.7950	0.000	1	117.4830	14.154	7	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:2:1:	3:4:3:	3:	N[6]-3:N[6]-2:H-1:	C[6,6]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6]C[5])(N[6]C[6])(H)	N[6](C[6,6]C[6,6]N[6])(C[5]C[5]O[5]H)(C[6]N[6]H)	H(C[6]N[6]2)	C[6](N[6]C[6,6]C[5])(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[6](C[6,6]C[6,6]N[6])(C[5]C[5]O[5]H)(C[6]N[6]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]N[6]2)	115.9390	0.000	1	115.9390	0.000	1	115.9390	0.000	1	116.1275	0.071	2	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:2:1:	3:4:3:	3:	N[6]-3:N[6]-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H)	H(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]N[6])(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]N[6]2)	116.3160	0.000	1	116.3160	0.000	1	116.3160	0.000	1	116.1275	0.071	2	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:2:1:	4:3:3:	3:	N[6]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]H)	H(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(H){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]H){2|H<1>,6|C<3>}	H(C[6]N[6]2)	115.9710	0.000	1	115.9710	0.000	1	115.9478	0.057	5	115.9478	0.057	5	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:2:1:	4:3:3:	3:	N[6]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(H)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]H)	H(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(H){2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]H){2|H<1>,4|C<3>}	H(C[6]N[6]2)	115.9420	0.276	4	115.9420	0.076	4	115.9478	0.057	5	115.9478	0.057	5	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:2:1:	4:3:4:	3:	N[6]-3:N[6]-2:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5,6]C)(N[6]C[5a,6])(H)	N[6](C[5,6]C[5a,6]N[5]S[5])(C[6]N[6]H)(CCHH)	H(C[6]N[6]2)	C[6](N[6]C[5,6]C)(N[6]C[5a,6])(H){1|C<3>,1|S<2>,2|N<3>}	N[6](C[5,6]C[5a,6]N[5]S[5])(C[6]N[6]H)(CCHH){1|N<2>,4|C<3>}	H(C[6]N[6]2)	115.4600	0.000	1	115.4600	0.000	1	115.8050	0.238	2	115.8050	0.238	2	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:2:1:	4:3:4:	3:	N[6]-3:N[6]-2:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5,6]C)(N[6]C[6,6a])(H)	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]H)(CCHH)	H(C[6]N[6]2)	C[6](N[6]C[5,6]C)(N[6]C[6,6a])(H){1|C<4>,3|C<3>}	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]H)(CCHH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]N[6]2)	116.1500	0.000	1	116.1500	0.000	1	115.8050	0.238	2	115.8050	0.238	2	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6])(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<3>}	N[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	116.6070	0.000	1	104.4410	296.026	2	104.4410	296.026	2	116.9864	76.666	10	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6])(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>}	N[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	92.2749	0.000	1	104.4410	296.026	2	104.4410	296.026	2	116.9864	76.666	10	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]N[6]H)(H)	N[6](C[6]C[6]H)(N[6]C[6])(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]N[6]H)(H){1|C<3>,1|O<2>}	N[6](C[6]C[6]H)(N[6]C[6])(H){1|Br<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.1200	0.000	1	120.1200	0.000	1	120.1227	0.071	8	116.9864	76.666	10	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]N[6]H)(H)	N[6](C[6]C[6]H)(N[6]C[6])(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]N[6]H)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0895	0.299	6	120.1231	0.083	7	120.1227	0.071	8	116.9864	76.666	10	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:2:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]N[6]H)(H)	N[6](C[6]C[6]H)(N[6]C[6])(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]N[6]H)(H){2|C<3>}	N[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.3250	0.000	1	120.1231	0.083	7	120.1227	0.071	8	116.9864	76.666	10	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:2:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]O[6]C)(H)	N[6](C[6]C[6,6a]H)(O[6]B[5a,6])(CC3)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]O[6]C)(H){1|B<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]H)(O[6]B[5a,6])(CC3){2|C<3>,2|O<2>}	H(C[6]C[6,6a]N[6])	115.3590	0.181	2	115.3590	0.033	2	115.3590	0.033	2	111.3113	21.948	4	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:2:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6])(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	107.6330	0.000	1	107.6330	0.000	1	107.6330	0.000	1	111.3113	21.948	4	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:2:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]N[6]C)(H)	N[6](C[6]C[6]H)(N[6]C[6])(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]N[6]C)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(N[6]C[6])(CCHH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	106.8940	0.000	1	106.8940	0.000	1	106.8940	0.000	1	111.3113	21.948	4	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[3x6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[3x6]H)(H)	H(C[6]C[3x6]N[6])	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]H)(H){1|H<1>,2|C<3>,3|C<4>}	N[6](C[6]C[6a]C[6])(C[6]C[3x6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[3x6]N[6])	119.9187	0.106	7	119.9187	0.011	7	119.9187	0.011	7	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[5,6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]H)(H)	N[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	H(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[5,6]N[6])	117.5950	0.000	1	117.5950	0.000	1	117.5950	0.000	1	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[5a,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(O)	H(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]O)(H){1|S<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(O){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]N[6])	114.2080	0.000	1	114.2080	0.000	1	114.2080	0.000	1	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[5a,6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	H(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[5a,6]N[6])	121.1090	0.000	1	121.1090	0.000	1	120.4535	0.859	2	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[5a,6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	H(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(H){1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[5a,6]N[6])	119.7980	0.000	1	119.7980	0.000	1	120.4535	0.859	2	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6,6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(H)	N[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	H(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6]N[6])	119.0380	0.000	1	119.0380	0.000	1	119.0380	0.000	1	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]N[6])	118.8540	0.000	1	118.4504	0.399	5	118.4504	0.399	5	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6])	118.3495	0.681	4	118.4504	0.399	5	118.4504	0.399	5	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(O)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(O){1|N<3>,4|C<3>}	H(C[6]C[6,6a]N[6])	118.3100	0.000	1	118.3100	0.000	1	118.3100	0.000	1	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6])	119.9715	0.308	2	119.8763	0.878	15	119.8763	0.878	15	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6])	119.8977	1.160	10	119.8763	0.878	15	119.8763	0.878	15	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){3|C<3>}	H(C[6]C[6,6a]N[6])	119.7413	0.071	3	119.8763	0.878	15	119.8763	0.878	15	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]C)(O)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6])	116.4190	0.000	1	116.4190	0.000	1	117.7182	3.669	4	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(O)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6])	119.3050	0.000	1	119.3590	0.006	2	117.7182	3.669	4	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(O)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(O){3|C<3>}	H(C[6]C[6,6a]N[6])	119.4130	0.000	1	119.3590	0.006	2	117.7182	3.669	4	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(O)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(O){1|C<4>,4|C<3>}	H(C[6]C[6,6a]N[6])	115.7360	0.000	1	115.7360	0.000	1	117.7182	3.669	4	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:D-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]D)(H)	N[6](C[6]C[6]H)2(D)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]D)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(D){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.6520	0.000	1	119.6520	0.000	1	118.9154	2.373	15	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:D-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(D)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(D){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.9740	0.000	1	119.9740	0.000	1	118.9154	2.373	15	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:D-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	N[6](C[6]C[6]H)2(D)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(D){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.8915	0.059	2	118.7773	2.609	13	118.9154	2.373	15	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:D-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	N[6](C[6]C[6]H)2(D)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(D){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.4570	0.212	4	118.7773	2.609	13	118.9154	2.373	15	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:D-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	N[6](C[6]C[6]H)2(D)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(D){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	120.0340	0.000	1	118.7773	2.609	13	118.9154	2.373	15	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:D-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	N[6](C[6]C[6]H)2(D)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(D){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.1545	0.209	2	118.7773	2.609	13	118.9154	2.373	15	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:D-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	N[6](C[6]C[6]H)2(D)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(D){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	116.5378	0.674	4	118.7773	2.609	13	118.9154	2.373	15	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]F)(H)	N[6](C[6]C[6]H)2(F)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]F)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(F){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	121.5650	1.491	2	121.5650	2.222	2	121.5650	2.222	2	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]B[6a]C[6])(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]B[6a]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,3|O<2>}	N[6](C[6]C[6]H)2(H){1|B<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.0620	0.070	3	119.0620	0.005	3	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[4]C[6])(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[4]C[6])(N[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.8920	0.143	2	119.8920	0.020	2	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	115.4850	0.000	1	115.4850	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.9665	0.180	2	119.7516	0.805	11	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	117.0840	0.000	1	119.7516	0.805	11	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	120.0820	0.095	4	119.7516	0.805	11	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.9808	0.209	4	119.7516	0.805	11	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5]N[6])(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[5]N[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	121.3280	0.525	2	121.3280	0.275	2	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5a,6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[5a,6]H)(N[6]C[6]H)(H){1|N<3>,2|C<3>}	N[6](C[6]C[5a,6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.3840	0.000	1	119.3840	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5a,6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[5a,6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	119.0970	0.000	1	119.0970	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	118.3097	2.621	3	118.3097	6.870	3	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.8640	0.296	3	119.8111	0.406	11	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	120.4920	0.000	1	119.8111	0.406	11	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.5897	1.218	3	119.8111	0.406	11	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.7673	0.314	4	119.8111	0.406	11	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6]C)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]N[6])	119.9160	0.000	1	119.9160	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6]C[6])(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6]C[6])(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	120.0370	0.173	2	120.0370	0.030	2	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]S)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(H){1|S<1>,2|C<3>}	N[6](C[6]C[6,6a]S)(C[6]C[6]H)(H){3|C<3>}	H(C[6]C[6]N[6])	110.2220	0.000	1	110.2220	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]H)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){3|C<3>}	H(C[6]C[6]N[6])	119.6850	0.071	3	119.6850	0.005	3	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){3|C<3>}	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	H(C[6]C[6]N[6])	120.3360	0.224	3	120.3360	0.050	3	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	120.1175	0.118	2	120.1426	0.412	12	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	120.1476	0.709	10	120.1426	0.412	12	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]N)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]N)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.6265	0.315	2	119.6265	0.099	2	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){1|O<2>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.3460	0.000	1	119.3460	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]2)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]2)(N[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.9992	0.152	5	119.9992	0.023	5	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]As)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]As)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|As<3>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.0300	0.000	1	120.0300	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]B)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]B)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|B<3>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.5062	0.153	13	119.5062	0.023	13	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.3850	0.000	1	120.3850	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.0715	0.199	2	119.9075	0.751	22	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Br<1>,1|C<3>}	H(C[6]C[6]N[6])	120.7710	0.000	1	119.9075	0.751	22	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.0070	0.193	16	119.9075	0.751	22	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Br<1>,1|C<3>}	H(C[6]C[6]N[6])	118.9793	2.411	3	119.9075	0.751	22	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Br<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	116.7790	0.000	1	116.7790	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.5840	0.000	1	120.4232	0.445	31	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.0400	0.000	1	120.4232	0.445	31	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.5350	0.538	25	120.4232	0.445	31	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|Br<1>,2|C<3>}	H(C[6]C[6]N[6])	119.9100	0.000	1	120.4232	0.445	31	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){2|Br<1>,1|C<3>}	H(C[6]C[6]N[6])	120.0707	1.321	3	120.4232	0.445	31	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.2640	0.000	1	119.2640	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.0824	3.178	10	119.2144	4.216	29	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]N[6])	119.7945	0.349	10	119.2144	4.216	29	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]N[6])	118.7164	1.592	9	119.2144	4.216	29	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]N[6])	120.1630	0.000	1	120.1630	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.2674	1.909	7	118.4063	4.552	50	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	118.1425	2.628	2	118.4063	4.552	50	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	118.2355	2.184	40	118.4063	4.552	50	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.7400	0.000	1	118.4063	4.552	50	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]C)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>}	H(C[6]C[6]N[6])	119.1819	1.204	9	119.1819	1.450	9	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<2>,2|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>}	H(C[6]C[6]N[6])	117.3694	2.640	27	117.3694	6.968	27	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	118.5350	0.000	1	117.0754	8.331	5	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	116.7105	3.197	4	117.0754	8.331	5	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	118.5800	0.000	1	118.2125	4.022	10	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	117.7155	2.541	6	118.2125	4.022	10	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.0840	0.115	3	118.2125	4.022	10	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	118.4956	1.370	24	119.0710	3.908	244	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|D<1>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	118.7280	0.000	1	119.0710	3.908	244	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.3860	0.000	1	119.0710	3.908	244	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	118.6783	0.037	4	119.0710	3.908	244	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|Br<1>,2|C<3>}	H(C[6]C[6]N[6])	120.6080	0.000	1	119.0710	3.908	244	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	118.7835	2.766	73	119.0710	3.908	244	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	H(C[6]C[6]N[6])	118.9121	1.933	50	119.0710	3.908	244	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	H(C[6]C[6]N[6])	120.0225	0.658	2	119.0710	3.908	244	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.6083	1.238	76	119.0710	3.908	244	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|O<2>,2|C<3>}	H(C[6]C[6]N[6])	117.2410	0.450	2	119.0710	3.908	244	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|P<4>,2|C<3>}	H(C[6]C[6]N[6])	119.9050	0.000	1	119.0710	3.908	244	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){3|C<3>}	H(C[6]C[6]N[6])	120.0490	0.000	1	119.0710	3.908	244	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.3093	0.925	8	119.0710	3.908	244	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]N[6])	116.3880	0.000	1	118.4367	4.776	3	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]N[6])	120.7370	0.000	1	118.4367	4.776	3	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]N[6])	118.1850	0.000	1	118.4367	4.776	3	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Cl<1>,1|C<3>}	H(C[6]C[6]N[6])	120.4910	0.000	1	118.7272	4.629	24	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	118.6413	2.196	21	118.7272	4.629	24	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Cl<1>,1|C<3>}	H(C[6]C[6]N[6])	118.7470	2.594	2	118.7272	4.629	24	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cl<1>,1|C<3>}	H(C[6]C[6]N[6])	120.6250	0.000	1	120.6250	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.1110	0.000	1	120.8496	0.168	41	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.8880	0.411	16	120.8496	0.168	41	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){2|Cl<1>,1|C<3>}	H(C[6]C[6]N[6])	120.8965	0.218	24	120.8496	0.168	41	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]F)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]F)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|F<1>,1|H<1>}	H(C[6]C[6]N[6])	120.1638	0.248	15	120.1638	0.061	15	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>}	N[6](C[6]C[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,2|H<1>}	H(C[6]C[6]N[6])	111.5680	0.000	1	111.5680	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[4]C[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[4]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6])	119.7937	0.429	3	119.7937	0.184	3	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6])	120.1710	0.000	1	120.0725	0.019	2	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6])	119.9740	0.000	1	120.0725	0.019	2	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	H(C[6]C[6]N[6])	120.2590	0.000	1	120.2590	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6])	119.8611	0.249	7	119.9713	0.052	21	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6])	119.9330	0.000	1	119.9713	0.052	21	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6])	120.0578	0.318	5	119.9713	0.052	21	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0239	0.146	7	119.9713	0.052	21	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.9810	0.000	1	119.9713	0.052	21	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3570	0.136	2	119.7900	0.361	40	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0450	0.000	1	119.7900	0.361	40	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6])	120.1800	0.293	3	119.7900	0.361	40	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6])	119.9760	0.000	1	119.7900	0.361	40	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.7501	0.653	31	119.7900	0.361	40	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	120.0360	0.000	1	119.7900	0.361	40	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0370	0.000	1	119.7900	0.361	40	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]B)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.1428	0.183	5	120.1428	0.034	5	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.6740	0.871	3	119.8130	1.621	15	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.8065	1.445	11	119.8130	1.621	15	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Br<1>,1|C<3>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	H(C[6]C[6]N[6])	120.3020	0.000	1	119.8130	1.621	15	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.8890	0.000	1	119.3377	3.319	270	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.6455	0.221	2	119.3377	3.319	270	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	105.3030	0.000	1	119.3377	3.319	270	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.3268	1.994	13	119.3377	3.319	270	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	120.5220	0.000	1	119.3377	3.319	270	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.7425	1.152	141	119.3377	3.319	270	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	H(C[6]C[6]N[6])	115.8840	1.012	3	119.3377	3.319	270	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	117.7663	2.062	15	119.3377	3.319	270	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	117.6645	2.802	2	119.3377	3.319	270	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	120.0620	0.106	2	119.3377	3.319	270	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	120.5530	0.201	3	119.3377	3.319	270	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	H(C[6]C[6]N[6])	120.0310	0.000	1	119.3377	3.319	270	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	H(C[6]C[6]N[6])	120.7110	0.000	1	119.3377	3.319	270	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.1446	1.865	81	119.3377	3.319	270	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<2>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.5090	0.048	3	119.3377	3.319	270	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	120.8503	0.437	4	120.3106	0.317	12	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0408	0.409	8	120.3106	0.317	12	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]I)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	N[6](C[6]C[6]H)(C[6]C[6]I)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.6541	0.704	7	119.6541	0.496	7	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	116.5897	2.709	3	118.6457	5.107	366	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	119.6617	0.412	3	118.6457	5.107	366	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.9013	1.964	46	118.6457	5.107	366	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	115.6183	0.758	3	118.6457	5.107	366	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.1658	2.458	21	118.6457	5.107	366	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.7230	0.000	1	118.6457	5.107	366	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.8333	1.310	22	118.6457	5.107	366	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	118.4561	2.426	35	118.6457	5.107	366	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<4>}	H(C[6]C[6]N[6])	115.0470	5.909	4	118.6457	5.107	366	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	120.1686	0.243	5	118.6457	5.107	366	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.6507	2.166	207	118.6457	5.107	366	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	118.3767	2.542	16	118.6457	5.107	366	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	117.9897	2.726	3	119.6178	1.718	28	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	120.1970	0.286	2	119.6178	1.718	28	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.7281	1.135	18	119.6178	1.718	28	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.9658	0.156	5	119.6178	1.718	28	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|P<4>}	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.9580	0.246	2	119.9336	0.044	12	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.8463	0.198	6	119.9336	0.044	12	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	120.1985	0.166	2	119.9336	0.044	12	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|P<4>}	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.9620	0.000	1	119.9336	0.044	12	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|P<4>,2|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.8500	0.000	1	119.9336	0.044	12	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.6620	0.000	1	118.9749	4.488	41	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	116.8090	0.000	1	118.9749	4.488	41	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|S<2>}	H(C[6]C[6]N[6])	115.1564	3.487	5	118.9749	4.488	41	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.8245	0.382	26	118.9749	4.488	41	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	118.5555	1.959	2	118.9749	4.488	41	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.1725	2.610	4	118.9749	4.488	41	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	120.2400	0.000	2	118.9749	4.488	41	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]2)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]2)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6])	120.0605	0.366	2	120.0605	0.134	2	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.8323	1.425	3	119.8323	2.031	3	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.0956	0.074	5	118.9797	5.246	56	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,2|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.1550	0.000	1	118.9797	5.246	56	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	118.9221	2.602	30	118.9797	5.246	56	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|N<2>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.3030	1.885	12	118.9797	5.246	56	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,2|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	118.5461	1.847	7	118.9797	5.246	56	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	114.1120	0.000	1	118.9797	5.246	56	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.6561	0.172	12	118.8525	2.368	74	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<5>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.1790	0.000	1	118.8525	2.368	74	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Pt<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.9760	0.000	1	118.8525	2.368	74	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	114.9210	3.626	3	118.8525	2.368	74	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.8847	0.298	3	118.8525	2.368	74	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	112.8770	0.000	1	118.8525	2.368	74	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.8214	0.957	49	118.8525	2.368	74	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Co<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.3830	0.310	2	118.8525	2.368	74	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Zn<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.8735	0.101	2	118.8525	2.368	74	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|S<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	114.7783	1.071	3	117.2678	8.316	31	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|S<2>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.2923	0.123	3	117.2678	8.316	31	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	117.4429	3.045	10	117.2678	8.316	31	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,1|S<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	114.6227	1.634	3	117.2678	8.316	31	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	114.6972	3.273	4	117.2678	8.316	31	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3903	0.148	3	117.2678	8.316	31	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<3>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Cu<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.7110	0.000	1	117.2678	8.316	31	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,2|S<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.7807	1.122	4	117.2678	8.316	31	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.9026	1.486	35	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.1125	0.452	2	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0525	0.378	45	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	121.5040	2.566	3	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.6516	0.988	32	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.9280	0.000	1	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	118.8287	2.410	24	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6])	120.1165	0.066	2	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.4829	1.887	446	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|D<1>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	118.7790	0.000	1	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0095	0.380	29	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.6870	0.000	1	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	118.5100	0.000	1	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.4212	0.843	32	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.4370	0.000	1	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	120.6460	0.000	1	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6])	117.8360	0.000	1	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	118.3902	2.453	8	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<4>}	H(C[6]C[6]N[6])	118.8026	1.305	5	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6])	119.4622	0.151	4	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.9485	1.223	560	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.5110	0.000	1	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.3192	0.102	4	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	119.1325	0.115	2	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6])	113.9120	0.000	1	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.9306	0.817	47	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	117.9921	2.081	8	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.4681	0.797	44	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.7809	0.148	8	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|As<3>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.1470	0.000	1	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|B<3>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.2425	0.289	13	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|B<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.1640	0.151	3	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.3536	0.669	25	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.0769	2.239	79	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|I<1>}	H(C[6]C[6]N[6])	120.4418	0.188	17	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<1>}	H(C[6]C[6]N[6])	120.3345	0.538	4	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6])	127.6860	0.000	1	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	120.1302	1.863	56	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<4>}	H(C[6]C[6]N[6])	119.2240	1.889	4	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	119.9835	1.207	20	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|P<4>}	H(C[6]C[6]N[6])	119.9230	0.000	1	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6])	118.4660	0.000	1	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.7917	1.373	484	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.5148	0.498	16	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.8906	1.324	111	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|Si<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.9270	0.000	1	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|W<7>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<4>,1|W<7>,2|H<1>}	H(C[6]C[6]N[6])	120.3560	0.000	1	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6])	119.7750	0.000	1	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0627	0.359	127	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.6793	1.064	1529	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	118.6189	1.799	8	119.5728	1.809	3852	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]Ir)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.1520	0.000	1	120.1520	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|In<6>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.8420	0.000	1	119.8420	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6]N[6])	119.6425	0.872	2	119.8570	0.518	3	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]N[6])	120.2860	0.000	1	119.8570	0.518	3	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]Se)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Se<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Se)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.8770	0.000	1	119.9950	0.028	2	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]Se)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Se<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Se)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	120.1130	0.000	1	119.9950	0.028	2	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.2002	2.055	12	119.1103	4.274	127	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6])	119.4379	1.412	16	119.1103	4.274	127	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0948	2.148	93	119.1103	4.274	127	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.0600	2.748	5	119.1103	4.274	127	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|S<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.4890	0.000	1	119.1103	4.274	127	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|N<2>}	H(C[6]C[6]N[6])	120.8237	0.096	3	120.8237	0.009	3	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]I)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]I)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|I<1>}	H(C[6]C[6]N[6])	120.2404	0.255	5	120.2404	0.065	5	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]I)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]I)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|I<1>}	H(C[6]C[6]N[6])	120.2500	0.268	18	120.2500	0.072	18	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	H(C[6]C[6]N[6])	119.2420	0.098	2	119.2420	0.010	2	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	120.0092	1.476	6	120.0092	2.178	6	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<2>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>}	H(C[6]C[6]N[6])	117.3480	0.000	1	119.2651	2.993	83	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6])	114.8350	0.000	1	119.2651	2.993	83	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	117.2696	3.090	8	119.2651	2.993	83	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<4>}	H(C[6]C[6]N[6])	119.3766	1.141	5	119.2651	2.993	83	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	119.7395	0.633	2	119.2651	2.993	83	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<1>}	H(C[6]C[6]N[6])	119.5958	0.380	4	119.2651	2.993	83	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6])	114.7160	0.000	1	119.2651	2.993	83	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	119.6551	1.147	57	119.2651	2.993	83	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<4>}	H(C[6]C[6]N[6])	119.7150	2.046	4	119.2651	2.993	83	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]N[6])	119.9280	0.000	1	119.9280	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6])	120.0225	0.094	2	119.8670	0.077	3	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>}	H(C[6]C[6]N[6])	119.5560	0.000	1	119.8670	0.077	3	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	119.7170	0.000	1	119.7170	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	119.6510	0.000	1	119.6510	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	115.4870	0.000	1	119.5329	1.883	23	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	120.0140	0.506	20	119.5329	1.883	23	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|O<2>,2|C<3>}	H(C[6]C[6]N[6])	116.7445	0.069	2	119.5329	1.883	23	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	H(C[6]C[6]N[6])	119.7490	0.000	1	119.7490	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|P<4>}	H(C[6]C[6]N[6])	119.4720	0.000	1	119.9360	0.122	4	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,2|P<4>}	H(C[6]C[6]N[6])	120.0680	0.276	2	119.9360	0.122	4	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|P<4>,2|C<3>}	H(C[6]C[6]N[6])	120.1360	0.000	1	119.9360	0.122	4	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	H(C[6]C[6]N[6])	119.7820	0.000	1	119.7820	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6])	119.6160	0.000	2	119.6160	0.000	2	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6])	119.7585	0.189	2	118.7121	2.156	9	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6])	119.1280	0.230	4	118.7121	2.156	9	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6])	115.2330	0.000	1	118.7121	2.156	9	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6])	117.5670	0.000	1	118.7121	2.156	9	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6])	119.5800	0.000	1	118.7121	2.156	9	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Si)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Si)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|Si<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.1050	0.000	1	119.1050	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.6810	0.000	1	119.6810	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	118.9700	0.305	2	119.1750	0.088	4	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){3|C<3>}	H(C[6]C[6]N[6])	119.3800	0.048	2	119.1750	0.088	4	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.9863	0.153	3	119.5939	0.265	11	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){1|Ni<5>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|Ni<5>,1|C<4>,2|C<3>}	H(C[6]C[6]N[6])	119.7660	0.000	1	119.5939	0.265	11	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.4011	0.555	7	119.5939	0.265	11	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[5a,6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]N[5a,6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6]N[6])	116.2460	0.000	1	116.2460	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]N[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	120.9610	0.416	2	120.5779	0.145	7	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]N[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<2>,2|C<4>}	H(C[6]C[6]N[6])	120.4246	0.267	5	120.5779	0.145	7	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]N[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6])	121.0660	0.765	2	121.0660	0.585	2	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6])	118.0180	2.128	2	118.0180	4.530	2	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6])	116.8595	0.422	2	119.2148	4.694	5	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	121.0410	0.000	1	119.2148	4.694	5	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	H(C[6]C[6]N[6])	120.5930	0.000	1	119.2148	4.694	5	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]H)(H){2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6])	120.7210	0.000	1	119.2148	4.694	5	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6])	120.3759	0.117	8	120.1616	0.141	14	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<2>,2|H<1>}	H(C[6]C[6]N[6])	119.8760	0.419	6	120.1616	0.141	14	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6])	119.2520	0.000	1	119.2520	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<3>,1|S<2>}	H(C[6]C[6]N[6])	120.1920	0.000	1	120.5171	0.417	10	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|S<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6]N[6])	120.7490	0.000	1	120.5171	0.417	10	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|S<2>}	H(C[6]C[6]N[6])	120.5063	0.845	6	120.5171	0.417	10	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|S<3>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|S<3>}	H(C[6]C[6]N[6])	120.5960	0.072	2	120.5171	0.417	10	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6])	120.1540	1.940	2	120.2179	8.727	30	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6]N[6])	121.4445	0.083	2	120.2179	8.727	30	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|N<2>,2|H<1>}	H(C[6]C[6]N[6])	119.1369	2.163	14	120.2179	8.727	30	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	118.9625	0.697	2	120.2179	8.727	30	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	H(C[6]C[6]N[6])	121.7498	3.972	10	120.2179	8.727	30	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	H(C[6]C[6]N[6])	C[6](C[6]N[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	H(C[6]C[6]N[6])	120.3110	0.000	1	120.3110	0.000	1	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]N)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]N[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6]N[6])	120.7615	0.039	2	120.7615	0.002	2	119.4381	2.545	5825	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	N[6](C[6]C[6]H)2(I)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(I){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.1090	0.175	2	118.8394	0.275	8	118.8394	0.275	8	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	N[6](C[6]C[6]H)2(I)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(I){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.3880	0.182	4	118.8394	0.275	8	118.8394	0.275	8	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	N[6](C[6]C[6]H)2(I)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(I){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.4725	0.187	2	118.8394	0.275	8	118.8394	0.275	8	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[5a]C[6])(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]C[5a]C[6])(N[6]C[6]O)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]C[6]H)2(O){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.4050	0.004	2	119.4050	0.000	2	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]O)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]O)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(O){3|C<3>}	H(C[6]C[6]N[6])	119.3010	0.000	1	119.3010	0.000	1	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H)	N[6](C[6]C[6,6a]C[5])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H){3|C<3>}	N[6](C[6]C[6,6a]C[5])(C[6]C[6]H)(O){1|H<1>,2|C<3>,2|N<3>}	H(C[6]C[6]N[6])	115.0550	0.000	1	115.0550	0.000	1	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H){3|C<3>}	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	H(C[6]C[6]N[6])	119.3945	0.341	4	119.3945	0.116	4	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.9660	0.000	1	119.9660	0.000	1	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6])	119.6330	0.000	1	119.6330	0.000	1	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|Br<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.4050	0.000	1	119.4050	0.000	1	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(O){1|Br<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	118.8400	1.597	4	118.8400	2.551	4	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|N<3>}	H(C[6]C[6]N[6])	112.3500	0.000	1	112.3500	0.000	1	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,1|N<2>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	117.9560	0.000	1	117.9560	0.000	1	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	118.2517	0.533	30	118.7986	0.572	55	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.4256	0.329	9	118.7986	0.572	55	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|C<4>}	H(C[6]C[6]N[6])	119.4580	0.201	4	118.7986	0.572	55	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(O){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.8920	0.307	2	118.7986	0.572	55	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(O){3|C<3>}	H(C[6]C[6]N[6])	119.5330	0.468	6	118.7986	0.572	55	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|C<4>}	H(C[6]C[6]N[6])	119.1820	0.091	4	118.7986	0.572	55	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]F)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]F)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|F<1>}	H(C[6]C[6]N[6])	117.5100	0.410	2	117.5100	0.168	2	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6])	113.6220	0.448	2	113.6220	0.201	2	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0790	0.000	1	119.3012	0.072	4	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3753	0.273	3	119.3012	0.072	4	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6])	119.5443	0.017	3	118.5058	5.649	22	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6])	119.6570	0.000	1	118.5058	5.649	22	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	112.9090	0.000	1	118.5058	5.649	22	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|H<1>,2|C<3>,2|N<3>}	H(C[6]C[6]N[6])	113.4255	1.817	2	118.5058	5.649	22	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.8218	2.063	5	118.5058	5.649	22	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6])	119.4634	0.221	9	118.5058	5.649	22	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(O){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6])	119.7980	0.000	1	118.5058	5.649	22	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]Br)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	119.8720	0.000	1	119.8720	0.000	1	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	120.0200	0.000	1	119.0193	2.155	46	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.1820	1.310	34	119.0193	2.155	46	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0570	0.000	1	119.0193	2.155	46	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.6350	0.000	1	119.0193	2.155	46	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	117.5187	2.164	6	119.0193	2.155	46	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|N<3>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.6010	0.168	2	119.0193	2.155	46	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){3|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.6730	0.000	1	119.0193	2.155	46	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	119.8110	0.000	1	119.5735	0.113	2	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3360	0.000	1	119.5735	0.113	2	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]I)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|I<1>}	N[6](C[6]C[6]H)(C[6]C[6]I)(O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.5833	0.648	3	119.2984	0.362	5	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]I)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|I<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]I)(O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.8710	0.000	2	119.2984	0.362	5	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.9310	0.000	1	119.3881	0.068	14	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.4233	0.234	13	119.3881	0.068	14	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.1743	1.394	21	119.1743	1.944	21	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,1|N<2>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]N)(O){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.1480	0.000	1	120.1480	0.000	1	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	117.8748	1.984	4	118.8625	4.108	557	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.5012	1.071	52	118.8625	4.108	557	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	115.8560	2.983	12	118.8625	4.108	557	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	120.1613	0.491	30	118.8625	4.108	557	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	117.4663	2.974	25	118.8625	4.108	557	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.3075	2.806	8	118.8625	4.108	557	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.5435	0.349	2	118.8625	4.108	557	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(O){1|Br<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	117.1368	3.432	4	118.8625	4.108	557	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	120.2052	0.218	9	118.8625	4.108	557	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	120.2955	0.073	2	118.8625	4.108	557	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0584	2.452	39	118.8625	4.108	557	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(O){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	120.0600	0.126	4	118.8625	4.108	557	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.8225	1.888	366	118.8625	4.108	557	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]N[5])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|N<3>}	N[6](C[6]C[6]N[5])(C[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6])	118.8070	0.000	1	118.8070	0.000	1	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]Se)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|Se<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Se)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.8260	0.000	1	120.8260	0.000	1	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.3930	0.000	1	118.3023	5.258	12	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6])	114.3460	0.000	1	118.3023	5.258	12	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	116.9562	2.682	4	118.3023	5.258	12	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|Pt<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]N[6])	119.8185	0.063	2	118.3023	5.258	12	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.8615	0.701	2	118.3023	5.258	12	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.3520	0.116	2	118.3023	5.258	12	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]N[6a]C[6])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]N[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.4567	0.070	3	119.4567	0.005	3	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(O){1|C<3>,2|N<3>}	H(C[6]C[6]N[6])	117.1280	1.168	2	118.5023	2.976	4	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	119.8765	0.091	2	118.5023	2.976	4	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]O)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]O)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	119.7830	0.000	1	119.7830	0.000	1	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	118.7962	0.188	6	118.8520	0.038	8	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|N<3>,2|C<4>}	H(C[6]C[6]N[6])	118.9450	0.000	1	118.8520	0.038	8	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	119.0940	0.000	1	118.8520	0.038	8	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	119.1935	0.071	4	119.3868	0.191	5	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|Ni<6>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	120.1600	0.000	1	119.3868	0.191	5	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]N[6]Cl)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]N[6]Cl)(N[6]C[6]O)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(O){1|Cl<1>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6])	118.8790	0.000	1	118.8790	0.000	1	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]O)(H){2|C<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|N<2>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6])	120.3090	0.000	1	120.3090	0.000	1	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|N<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3620	0.162	4	119.4394	0.050	5	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	119.7490	0.000	1	119.4394	0.050	5	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	120.2182	0.373	4	119.2420	2.896	57	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)2(O){1|N<3>,2|H<1>}	H(C[6]C[6]N[6])	118.8240	1.821	40	119.2420	2.896	57	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(O){1|Cl<1>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6])	117.4930	0.000	1	119.2420	2.896	57	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(O){1|H<1>,1|N<2>,1|S<4>}	H(C[6]C[6]N[6])	119.8190	0.000	1	119.2420	2.896	57	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(O){1|N<2>,2|H<1>}	H(C[6]C[6]N[6])	120.5609	0.160	10	119.2420	2.896	57	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|Ni<6>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	120.0370	0.000	1	119.2420	2.896	57	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]N[6]S)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(O)	H(C[6]C[6]N[6])	C[6](C[6]N[6]S)(N[6]C[6]O)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(O){1|H<1>,1|N<2>,1|S<4>}	H(C[6]C[6]N[6])	121.1150	0.000	1	121.1150	0.000	1	118.8934	3.507	849	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]N[6]O)(H)	N[6](C[6]C[6]H)(N[6]C[6]O)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(N[6]C[6]O)(O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.2055	0.029	2	119.2055	0.001	2	119.2055	0.001	2	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]N[6]H)(H)	N[6](N[6]C[6]Re)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]N[6]H)(H){1|Re<6>,1|H<1>,2|C<3>}	N[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.2580	0.000	1	119.2580	0.000	1	119.2580	0.000	1	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6,6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6,6a]C[6a,6a]B[6,6a])(N[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]H)(H)	H(C[6]N[6,6a]N[6])	C[6](N[6,6a]C[6a,6a]B[6,6a])(N[6]C[6,6a]H)(H){2|O<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	H(C[6]N[6,6a]N[6])	117.5490	0.000	1	117.5490	0.000	1	117.5490	0.000	1	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6])	118.7113	0.391	3	118.9020	0.247	4	119.1125	0.255	6	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6])	119.4740	0.000	1	118.9020	0.247	4	119.1125	0.255	6	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]N[6])	119.5335	0.046	2	119.5335	0.002	2	119.1125	0.255	6	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6])	120.0390	0.000	1	117.9090	6.549	6	117.9973	5.512	7	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	H(C[6]C[6]N[6])	117.0683	2.820	4	117.9090	6.549	6	117.9973	5.512	7	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.1420	0.000	1	117.9090	6.549	6	117.9973	5.512	7	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H){1|N<2>,2|N<3>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]N[6])	118.5270	0.000	1	118.5270	0.000	1	117.9973	5.512	7	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:O-1:	C[6]-3:	C[6](N[6]C[5a,6]O)(C[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](N[6]C[5a,6]O)(C[6]C[6]H)(H){1|C<3>,2|N<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]N[6])	119.0120	0.000	1	119.0120	0.000	1	119.0120	0.000	1	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H)	N[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6])	119.2050	0.000	1	119.2050	0.000	1	119.5373	0.779	10	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6])	120.2930	0.000	1	120.2930	0.000	1	119.5373	0.779	10	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H)	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]N[6])	120.1140	0.000	1	119.9933	0.012	6	119.5373	0.779	10	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H)	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]N[6])	119.9692	0.101	5	119.9933	0.012	6	119.5373	0.779	10	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6]H)(C[6]S[6]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6]H)(C[6]S[6]H)(H){2|C<3>,2|O<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	H(C[6]C[6]N[6])	117.9575	0.180	2	117.9575	0.033	2	119.5373	0.779	10	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:	C[6](N[6]C[6,6]O)(C[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6])	119.9525	0.029	2	119.7917	0.078	3	119.7917	0.078	3	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:	C[6](N[6]C[6,6]O)(C[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6])	119.4700	0.000	1	119.7917	0.078	3	119.7917	0.078	3	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6])	119.4730	0.000	1	119.4730	0.000	1	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6])	120.5350	0.000	1	120.5350	0.000	1	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6])	118.0830	2.439	6	118.0830	5.950	6	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.9772	1.775	12	118.9922	2.723	159	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.6425	0.096	4	118.9922	2.723	159	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.6230	0.000	1	118.9922	2.723	159	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|I<1>,3|C<3>}	H(C[6]C[6]N[6])	119.4365	0.216	2	118.9922	2.723	159	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]N[6])	119.7970	0.000	1	118.9922	2.723	159	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6])	117.6563	2.782	11	118.9922	2.723	159	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<4>,3|C<3>}	H(C[6]C[6]N[6])	112.0060	0.000	1	118.9922	2.723	159	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]N[6])	118.9868	1.681	52	118.9922	2.723	159	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	H(C[6]C[6]N[6])	119.7580	0.177	2	118.9922	2.723	159	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.2514	1.516	40	118.9922	2.723	159	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.5575	0.112	2	118.9922	2.723	159	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.7160	0.075	4	118.9922	2.723	159	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.8500	0.137	9	118.9922	2.723	159	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.9405	0.863	2	118.9922	2.723	159	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.5343	0.400	16	118.9922	2.723	159	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.5971	0.286	9	119.5971	0.082	9	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]N[6])	119.4806	1.155	87	119.5141	1.136	103	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6])	119.5410	0.000	1	119.5141	1.136	103	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	H(C[6]C[6]N[6])	119.7275	0.202	12	119.5141	1.136	103	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]N[6])	119.6233	0.166	3	119.5141	1.136	103	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]S)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]S)(H){1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[6]N[6])	119.4150	0.369	2	119.4150	0.136	2	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(H){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]N[6])	116.4420	0.000	1	116.4420	0.000	1	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]N[6]H)(H){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0310	0.000	1	120.0310	0.000	1	119.1869	2.173	283	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](N[6]C[6,6a]O)(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]O)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.8730	0.000	1	118.8730	0.000	1	118.6722	3.564	30	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.5570	0.000	1	118.5381	4.347	24	118.6722	3.564	30	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	H(C[6]C[6]N[6])	119.2560	0.000	1	118.5381	4.347	24	118.6722	3.564	30	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6])	118.0590	1.842	3	118.5381	4.347	24	118.6722	3.564	30	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]N[6])	119.4530	0.000	1	118.5381	4.347	24	118.6722	3.564	30	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	H(C[6]C[6]N[6])	116.5408	4.167	4	118.5381	4.347	24	118.6722	3.564	30	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.3203	0.343	10	118.5381	4.347	24	118.6722	3.564	30	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.3205	0.187	2	118.5381	4.347	24	118.6722	3.564	30	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	114.9720	0.000	1	118.5381	4.347	24	118.6722	3.564	30	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.4920	0.000	1	118.5381	4.347	24	118.6722	3.564	30	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](N[6]C[6,6a]O)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]O)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0498	0.151	4	119.2758	0.273	5	118.6722	3.564	30	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](N[6]C[6,6a]O)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]O)(C[6]N[6]H)(H){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.1800	0.000	1	119.2758	0.273	5	118.6722	3.564	30	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6]H)(N[6]C[6]H)(H)	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[5,6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]N[6]2)	116.8020	0.000	1	116.8020	0.000	1	116.8020	0.000	1	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]N[6]2)	119.0300	0.000	1	119.0300	0.000	1	119.0300	0.000	1	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6]2)	117.0300	0.000	1	117.0300	0.000	1	117.5800	0.681	5	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]N[6]2)	118.3960	0.000	1	117.8560	1.058	3	117.5800	0.681	5	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	H(C[6]N[6]2)	116.6700	0.000	1	117.8560	1.058	3	117.5800	0.681	5	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]N[6]2)	118.5020	0.000	1	117.8560	1.058	3	117.5800	0.681	5	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6]Ni)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[6,6a]H)(N[6]C[6]Ni)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	H(C[6]N[6]2)	117.3020	0.000	1	117.3020	0.000	1	117.5800	0.681	5	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5,6]Cl)(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[5,6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6](C[6]C[5,6]Cl)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	H(C[6]N[6]2)	116.7610	0.000	1	116.7610	0.000	1	119.4720	4.062	5	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6]Ru)(N[6]C[6]H)(H)	N[6](C[6]C[5,6]O)(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[5,6]Ru)(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|N<3>}	H(C[6]N[6]2)	120.6895	0.972	2	120.6895	0.945	2	119.4720	4.062	5	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]O)(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<1>}	N[6](C[6]C[5a,6]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	H(C[6]N[6]2)	118.0370	0.000	1	118.0370	0.000	1	119.4720	4.062	5	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	H(C[6]N[6]2)	121.1830	0.000	1	121.1830	0.000	1	119.4720	4.062	5	119.3537	2.678	7092	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[5a,6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]N)(H)	N[6](C[6]C[5a,6]H)(C[6]C[6]C)(NS)	H(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]N)(H){1|C<4>,1|N<3>,3|C<3>}	N[6](C[6]C[5a,6]H)(C[6]C[6]C)(NS){3|C<3>}	H(C[6]C[5a,6]N[6])	120.0370	0.000	1	120.0370	0.000	1	120.0370	0.000	1	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(NS)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(NS){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6])	117.1030	0.000	1	117.1030	0.000	1	118.8793	2.368	3	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H)	N[6](C[6]C[6,6a]H)(C[6]N[6]N)(NS)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]H)(C[6]N[6]N)(NS){2|C<3>}	H(C[6]C[6,6a]N[6])	119.7675	0.047	2	119.7675	0.002	2	118.8793	2.368	3	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:I-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	N[6](C[6]C[6]H)2(IN[6])	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(IN[6]){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0513	0.579	37	119.0513	0.335	37	119.0513	0.335	37	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]N)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(NS)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]N)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(NS){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	115.4940	0.000	1	115.4940	0.000	1	119.8460	1.767	60	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]N)(H)	N[6](C[6]C[6]H)2(NS)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(NS){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	115.1020	0.000	1	115.1020	0.000	1	119.8460	1.767	60	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(NIr)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(NIr){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.5340	0.000	1	119.5340	0.000	1	119.8460	1.767	60	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N[6](C[6]C[6]H)2(NC)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(NC){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0965	0.091	2	120.0629	1.027	50	119.8460	1.767	60	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N[6](C[6]C[6]H)2(NC)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(NC){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0615	1.035	48	120.0629	1.027	50	119.8460	1.767	60	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N[6](C[6]C[6]H)2(NC[5])	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(NC[5]){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.1955	0.339	2	120.1955	0.115	2	119.8460	1.767	60	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N[6](C[6]C[6]H)2(NS)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(NS){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	116.9710	0.000	1	116.9710	0.000	1	119.8460	1.767	60	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N[6](C[6]C[6]H)2(NW)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(NW){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0315	0.644	4	120.0315	0.415	4	119.8460	1.767	60	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OB)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(OB){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	117.9740	3.913	2	117.9740	15.313	2	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OMn)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(OMn){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.1550	0.000	1	119.1550	0.000	1	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(OMn)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(OMn){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6])	119.8220	0.000	1	119.8220	0.000	1	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(OBi)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(OBi){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.1205	0.159	2	120.1205	0.025	2	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(OCo)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(OCo){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.6232	0.328	4	119.6232	0.108	4	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(OFe)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(OFe){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3102	0.340	4	119.3102	0.116	4	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(OMn)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(OMn){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.7015	0.144	2	119.7015	0.021	2	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(ONi)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(ONi){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.6250	0.099	4	119.6250	0.010	4	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(OSn)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(OSn){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0480	0.185	5	120.0480	0.034	5	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(OFe)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(OFe){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.1580	0.000	1	120.1580	0.000	1	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|N<3>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.5100	0.000	1	119.5100	0.000	1	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(ONi)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(ONi){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.1630	0.117	2	120.1630	0.014	2	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(ONi)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(ONi){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.2717	0.063	4	119.2717	0.004	4	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(OPd)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(OPd){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.4458	0.504	4	119.4458	0.254	4	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(OCo)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|P<4>}	N[6](C[6]C[6]H)(C[6]C[6]P)(OCo){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.7810	0.000	1	119.7810	0.000	1	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OCr)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(OCr){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.5257	0.149	3	119.5257	0.022	3	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(OH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.4680	0.000	1	120.4680	0.000	1	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OIr)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(OIr){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	165.6060	0.000	1	165.6060	0.000	1	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OMg)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(OMg){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3420	0.000	1	119.3420	0.000	1	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OPd)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(OPd){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	115.2120	0.981	2	115.2120	0.963	2	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(ORu)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(ORu){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.8210	0.116	2	119.8210	0.013	2	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OSn)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(OSn){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.8045	0.008	2	119.8045	0.000	2	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(OZn)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(OZn){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3873	0.209	3	119.3873	0.044	3	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OB)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(OB){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.9082	0.335	5	119.4091	2.668	7	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OB)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(OB){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	118.1615	3.347	2	119.4091	2.668	7	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OB[5])	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(OB[5]){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.3730	0.054	2	120.3730	0.003	2	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OB[6a])	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(OB[6a]){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	115.1315	0.228	2	115.1315	0.052	2	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OBi)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(OBi){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0005	0.028	2	120.0005	0.001	2	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OC)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(OC){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	121.0530	0.133	2	121.0530	0.018	2	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OCd)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(OCd){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.8000	0.132	2	119.8000	0.017	2	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OCo)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(OCo){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	113.5780	2.794	2	118.9287	4.721	21	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OCo)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(OCo){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	120.3560	0.000	1	118.9287	4.721	21	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OCo)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(OCo){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.9359	0.133	8	118.9287	4.721	21	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OCo)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(OCo){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0504	1.450	10	118.9287	4.721	21	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OCu)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(OCu){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.8685	0.204	2	119.8685	0.042	2	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OFe)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(OFe){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.2368	0.165	4	119.6554	0.155	10	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OFe)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(OFe){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.9345	0.171	6	119.6554	0.155	10	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(OH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0255	2.567	6	119.0255	6.592	6	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OMn)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(OMn){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.9900	0.267	6	119.8667	0.098	20	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OMn)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(OMn){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	120.4520	0.000	1	119.8667	0.098	20	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OMn)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(OMn){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.8493	0.232	7	119.8667	0.098	20	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OMn)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(OMn){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.6662	0.317	6	119.8667	0.098	20	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OMo)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(OMo){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.2920	0.103	2	120.2920	0.011	2	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(ONi)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(ONi){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0060	0.139	4	119.8505	0.041	8	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(ONi)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(ONi){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.6100	0.058	2	119.8505	0.041	8	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(ONi)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(ONi){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.7800	0.028	2	119.8505	0.041	8	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OPd)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(OPd){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.2515	0.606	2	120.2515	0.367	2	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(ORu)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(ORu){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.4280	0.027	2	120.4280	0.001	2	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OSi)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(OSi){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.3478	0.355	4	120.3478	0.126	4	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OSn)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(OSn){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.1555	0.062	2	120.1390	0.037	10	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OSn)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(OSn){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.2533	0.173	4	120.1390	0.037	10	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OSn)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(OSn){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0165	0.202	4	120.1390	0.037	10	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OZn)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(OZn){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.4783	0.310	4	119.7240	0.103	9	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OZn)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(OZn){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.9206	0.158	5	119.7240	0.103	9	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]Rh)(C[6]C[6]H)(ORh)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|Rh<6>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Rh)(C[6]C[6]H)(ORh){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.9745	0.052	2	119.9745	0.003	2	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(OIr)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(OIr){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.6050	0.000	1	119.6050	0.000	1	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OCo)	H(C[6]C[6]N[6])	C[6](C[6]C[6]O)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(OCo){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	120.1730	0.000	1	120.1730	0.000	1	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn)	H(C[6]C[6]N[6])	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	118.9730	0.000	1	118.9155	0.007	2	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn)	H(C[6]C[6]N[6])	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	118.8580	0.000	1	118.9155	0.007	2	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	120.1150	0.000	1	120.1150	0.000	1	119.8156	13.919	173	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]H)2(SN[6])	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(SN[6]){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0310	0.098	2	119.4267	0.212	4	119.4267	0.212	4	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]H)2(SN[6])	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(SN[6]){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.8225	0.016	2	119.4267	0.212	4	119.4267	0.212	4	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6]-3:	C[6](N[6]C[6,6a]N)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]N)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.4670	0.000	1	119.4670	0.000	1	119.4670	0.000	1	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(OPt)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(OPt){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6])	119.5220	0.000	1	119.5220	0.000	1	120.0072	0.139	5	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OB)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OB){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	120.0910	0.000	1	120.0910	0.000	1	120.0072	0.139	5	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OCo)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OCo){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]N[6])	119.8260	0.000	1	119.8260	0.000	1	120.0072	0.139	5	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OIr)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OIr){1|H<1>,3|C<3>}	H(C[6]C[6]N[6])	120.5350	0.000	1	120.5350	0.000	1	120.0072	0.139	5	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OPd)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OPd){1|H<1>,3|C<3>}	H(C[6]C[6]N[6])	120.0620	0.000	1	120.0620	0.000	1	120.0072	0.139	5	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:As-2:	C[6]-3:	C[6](N[6]C[6]As)(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(AsN)	H(C[6]C[6]N[6])	C[6](N[6]C[6]As)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(AsN){1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.5770	0.000	1	119.5770	0.000	1	119.5770	0.000	1	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:As[6]-2:	C[6]-3:	C[6](N[6]As[6]C[6a])(C[6]C[6a]C[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(As[6]N[6])	H(C[6]C[6]N[6])	C[6](N[6]As[6]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(As[6]N[6]){2|C<4>,5|C<3>}	H(C[6]C[6]N[6])	116.9010	0.700	2	116.9010	0.490	2	116.9010	0.490	2	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:2:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	H(C[6]C[6]N[6])	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H){4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6])	119.2700	0.000	1	119.2700	0.000	1	119.2700	0.000	1	119.6885	8.901	288	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[5a,6]H)(C[6a]C[6a]2)	H(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(H){1|C<4>,6|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[5a,6]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	H(C[6]C[5a,6]N[6])	120.9330	0.000	1	120.9330	0.000	1	120.9330	0.000	1	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:B[5]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(H)	N[6](C[6]C[6,6a]H)(B[5]O[5]2)(C[6]C[6]H)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(H){2|H<1>,2|O<2>,3|C<3>}	N[6](C[6]C[6,6a]H)(B[5]O[5]2)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]N[6])	118.7110	0.000	1	118.7110	0.000	1	118.7110	0.000	1	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCC)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6])	119.5520	0.000	1	119.5520	0.000	1	118.9797	0.294	3	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(CCC)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(CCC){1|Br<1>,4|C<3>}	H(C[6]C[6,6a]N[6])	118.6935	0.312	2	118.6935	0.097	2	118.9797	0.294	3	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|Pd<4>,2|C<4>,6|C<3>}	H(C[6]C[6,6a]N[6])	118.8530	0.000	1	118.9765	0.145	4	118.9765	0.145	4	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|C<4>,7|C<3>}	H(C[6]C[6,6a]N[6])	119.4430	0.000	1	118.9765	0.145	4	118.9765	0.145	4	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	H(C[6]C[6,6a]N[6])	118.8050	0.380	2	118.9765	0.145	4	118.9765	0.145	4	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]H)(C[6]C[6]N)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|H<1>,2|N<2>,4|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]H)(C[6]C[6]N){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6])	118.8870	0.000	1	118.8870	0.000	1	118.8870	0.000	1	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	B-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]C[5])(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](BC[6a]C[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.4285	0.050	2	118.4285	0.003	2	118.4285	0.003	2	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:B[5]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]B[5]C[6])(H)	N[6](C[6]C[6,6a]H)(B[5]O[5]2)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]B[5]C[6])(H){1|H<1>,2|C<3>,2|O<2>}	N[6](C[6]C[6,6a]H)(B[5]O[5]2)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6])	118.5160	0.000	1	118.5160	0.000	1	118.5160	0.000	1	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BClFe)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]B)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]H)2(BClFe){3|C<4>}	H(C[6]C[6]N[6])	118.2250	0.231	2	118.2250	0.053	2	118.7281	0.337	30	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BMnC)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BMnC){1|C<3>,2|C<4>}	H(C[6]C[6]N[6])	118.8080	0.130	2	118.8080	0.017	2	118.7281	0.337	30	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6]-3:	C[6](C[6]C[6]Cl)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]C)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Cl)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.2210	0.000	1	119.2210	0.000	1	118.7281	0.337	30	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.1570	0.000	1	119.1570	0.000	1	118.7281	0.337	30	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(BClOs)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(BClOs){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.5910	0.000	1	118.5910	0.000	1	118.7281	0.337	30	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(BOsO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(BOsO){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.2440	0.000	1	119.2440	0.000	1	118.7281	0.337	30	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BBr2)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BBr2){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.8115	1.050	4	118.8115	1.103	4	118.7281	0.337	30	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[5]B)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(BC[5]B){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	117.9445	0.490	2	117.9445	0.240	2	118.7281	0.337	30	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]2)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(BC[6a]2){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.2615	0.104	2	118.2615	0.011	2	118.7281	0.337	30	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]C)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[6a]C){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.9295	0.072	4	118.9306	0.004	5	118.7281	0.337	30	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]C)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	118.9350	0.000	1	118.9306	0.004	5	118.7281	0.337	30	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BCl2)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BCl2){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.4110	0.017	2	119.4110	0.000	2	118.7281	0.337	30	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BFeN)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(BFeN){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0290	0.348	2	119.0290	0.121	2	118.7281	0.337	30	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BMn2)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,3|H<1>}	N[6](C[6]C[6]H)2(BMn2){1|C<4>,2|H<1>}	H(C[6]C[6]N[6])	117.9395	0.384	2	117.9395	0.147	2	118.7281	0.337	30	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BN[6]As)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(BN[6]As){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.6045	0.169	2	118.6045	0.029	2	118.7281	0.337	30	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]B)(H){1|B<3>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2){1|N<3>,2|H<1>}	H(C[6]C[6]N[6])	119.2840	0.000	1	119.2840	0.000	1	118.7281	0.337	30	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[5]C[6])(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCO)	H(C[6]C[6]N[6])	C[6](C[6]C[5]C[6])(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6](C[6]C[6]H)2(CCO){1|H<1>,2|C<4>}	H(C[6]C[6]N[6])	114.0430	0.000	1	114.0430	0.000	1	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCC)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.9740	0.000	1	119.9740	0.000	1	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCC)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|C<4>}	H(C[6]C[6]N[6])	119.7435	0.235	6	119.7650	0.049	7	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCC)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCC){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.8940	0.000	1	119.7650	0.049	7	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CNO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	N[6](C[6]C[6]H)2(CNO){3|C<4>}	H(C[6]C[6]N[6])	118.2550	0.086	2	118.2550	0.007	2	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(COO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]H)2(COO){1|C<2>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.1020	0.000	1	119.1020	0.000	1	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCC)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCC){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.7640	0.404	2	118.7640	0.164	2	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(CC[5]C)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(CC[5]C){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.2790	0.000	1	119.2790	0.000	1	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(CFeO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(CFeO){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.7770	0.000	1	119.7770	0.000	1	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCC)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0050	0.105	4	119.5839	0.248	47	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCC)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.9532	0.169	10	119.5839	0.248	47	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCC)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.1556	0.272	24	119.5839	0.248	47	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCC)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	120.5700	0.000	1	119.5839	0.248	47	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCC)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0385	0.025	2	119.5839	0.248	47	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCC)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCC){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	120.0710	0.000	1	119.5839	0.248	47	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCC)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0878	0.103	5	119.5839	0.248	47	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CCH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0580	0.130	2	117.0390	5.442	4	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	115.0200	0.065	2	117.0390	5.442	4	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCN)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(CCN){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0190	0.008	2	119.0190	0.000	2	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCO){1|H<1>,2|C<4>}	H(C[6]C[6]N[6])	115.0840	0.000	1	115.0840	0.000	1	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	117.6115	4.941	2	117.6115	24.409	2	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]N)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(CC[6a]N){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.9900	0.040	2	118.9900	0.002	2	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CN[6]H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,2|H<1>}	N[6](C[6]C[6]H)2(CN[6]H){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.8500	0.000	1	117.8940	2.991	3	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CN[6]H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CN[6]H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	116.9160	0.494	2	117.8940	2.991	3	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(COO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]H)2(COO){1|C<2>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.2020	0.000	1	119.4758	0.149	5	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(COO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(COO){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.8815	0.213	2	119.4758	0.149	5	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(COO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(COO){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.2070	0.049	2	119.4758	0.149	5	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CSS)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CSS){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0245	0.018	2	120.0245	0.000	2	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]Ru)(C[6]C[6]H)(CCH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Ru<8>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Ru)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	116.2590	0.000	1	116.2590	0.000	1	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]C)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]C){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.7230	0.000	1	119.7230	0.000	1	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCC)	H(C[6]C[6]N[6])	C[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	120.0260	0.000	1	120.0260	0.000	1	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCO)	H(C[6]C[6]N[6])	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCO){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	119.3360	0.076	2	119.3360	0.006	2	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCO)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCO){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	120.3988	0.168	4	120.3988	0.028	4	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCO)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	H(C[6]C[6]N[6])	118.9198	0.171	10	118.9198	0.029	10	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]O[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(COO)	H(C[6]C[6]N[6])	C[6](C[6]O[6]H)(N[6]C[6]C)(H){2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|O<2>,2|H<1>}	H(C[6]C[6]N[6])	116.8320	0.000	1	116.8320	0.000	1	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]O[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(COO)	H(C[6]C[6]N[6])	C[6](C[6]O[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(COO){1|O<2>,2|H<1>}	H(C[6]C[6]N[6])	119.6310	0.175	2	119.6310	0.031	2	119.1714	1.602	106	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]2)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]2)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	120.0320	0.000	1	120.0320	0.000	1	119.8402	0.156	11	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	H(C[6]C[6]N[6])	119.7385	0.042	4	119.9639	0.106	7	119.8402	0.156	11	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]2)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	120.1215	0.192	2	119.9639	0.106	7	119.8402	0.156	11	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]2)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	120.5500	0.000	1	119.9639	0.106	7	119.8402	0.156	11	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cd<5>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6])	119.1320	0.000	1	119.4877	0.203	3	119.8402	0.156	11	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cd<6>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6])	119.9940	0.000	1	119.4877	0.203	3	119.8402	0.156	11	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cu<5>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6])	119.3370	0.000	1	119.4877	0.203	3	119.8402	0.156	11	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]N)(H)	N[6](C[6]C[6,6a]C)(C[6]C[6]H)(NCC)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]N)(H){3|C<3>}	N[6](C[6]C[6,6a]C)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.7830	0.000	1	119.7830	0.000	1	119.8304	0.094	7	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]S)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]S){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.8500	0.000	1	119.8500	0.000	1	119.8304	0.094	7	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(NIrC)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(NIrC){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.8680	0.000	1	119.8680	0.000	1	119.8304	0.094	7	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N[6](C[6]C[6]H)2(NCoC)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(NCoC){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.5715	0.544	2	119.5715	0.296	2	119.8304	0.094	7	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	N[6](C[6]C[6]H)2(NHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(NHH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0845	0.023	2	120.0845	0.001	2	119.8304	0.094	7	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-3:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OMn2)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(OMn2){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.3610	0.021	2	119.3610	0.000	2	120.0048	0.182	12	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn2)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn2){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.5350	0.000	1	119.5350	0.000	1	120.0048	0.182	12	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OCu2)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(OCu2){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.3190	0.090	3	120.3190	0.008	3	120.0048	0.182	12	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OMn2)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(OMn2){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.1110	0.427	2	120.1405	0.105	6	120.0048	0.182	12	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OMn2)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(OMn2){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	120.3190	0.239	2	120.1405	0.105	6	120.0048	0.182	12	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	N[6](C[6]C[6]H)2(OMn2)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(OMn2){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.9915	0.418	2	120.1405	0.105	6	120.0048	0.182	12	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:P-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	N[6](C[6]C[6]H)2(PCP)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(PCP){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.8102	0.128	4	118.8102	0.016	4	118.7797	0.199	12	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:P-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	N[6](C[6]C[6]H)2(PC[6a]2)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(PC[6a]2){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3630	0.946	2	119.3630	0.895	2	118.7797	0.199	12	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:P-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	N[6](C[6]C[6]H)2(PClN)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(PClN){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.5160	0.140	2	118.5160	0.020	2	118.7797	0.199	12	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:P-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	N[6](C[6]C[6]H)2(PN[6]N)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(PN[6]N){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.5892	0.290	4	118.5892	0.084	4	118.7797	0.199	12	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]N[6]C)(H)	N[6](C[6]C[6]H)(N[6]C[6]C)(COO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]N[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]H)(N[6]C[6]C)(COO){2|Br<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	118.4420	0.000	1	118.4420	0.000	1	118.4420	0.000	1	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<4>,4|C<3>}	H(C[6]C[6]N[6])	117.6895	0.220	2	118.6550	1.260	4	118.6550	1.260	4	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H){2|H<1>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,5|C<3>}	H(C[6]C[6]N[6])	119.6205	0.049	2	118.6550	1.260	4	118.6550	1.260	4	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:P[6]-3:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6a]P[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]N[6]I)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6a]P[6])(H){1|H<1>,1|I<1>,1|N<3>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]N[6]I){2|C<4>,5|C<3>}	H(C[6]C[6]N[6])	117.4475	0.254	2	117.4475	0.064	2	117.4475	0.064	2	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	I-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	N[6](IC[6a]N[6])(C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](IC[6a]N[6])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.5350	0.148	2	119.5350	0.022	2	119.3997	0.396	6	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	I-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	N[6](IC[6a]N[6])(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](IC[6a]N[6])(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.6460	0.028	2	119.3320	0.634	4	119.3997	0.396	6	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	I-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	N[6](IC[6a]N[6])(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,2|H<1>}	N[6](IC[6a]N[6])(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0180	0.133	2	119.3320	0.634	4	119.3997	0.396	6	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:H-1:	N[6]-3:C[6]-3:B-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]N[6]B)(H)	N[6](N[6]B[5]C[6])(C[6]C[6]H)(BC[6a]2)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]N[6]B)(H){1|B<3>,1|C<3>,1|H<1>}	N[6](N[6]B[5]C[6])(C[6]C[6]H)(BC[6a]2){1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6])	120.0750	0.000	1	120.0750	0.000	1	120.0750	0.000	1	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	As[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]As[6]C[6a])(C[6]C[6a]C[6])(H)	N[6](As[6]N[6]As)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]As[6]C[6a])(C[6]C[6a]C[6])(H){1|As<2>,1|H<1>,1|N<3>,4|C<3>}	N[6](As[6]N[6]As)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,5|C<3>}	H(C[6]C[6]N[6])	116.6370	0.331	2	116.6370	0.110	2	116.6370	0.110	2	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]Cl)(H)	N[6](B[5]O[5]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[5]C[6])(C[6]C[6]Cl)(H){1|C<3>,2|O<2>,3|H<1>}	N[6](B[5]O[5]2)(C[6]C[6]H)2{2|Cl<1>,3|C<4>}	H(C[6]C[6]N[6])	119.1140	0.373	4	119.1140	0.139	4	118.9433	0.217	8	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]O[5]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|O<2>}	N[6](B[5]O[5]2)(C[6]C[6]H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6])	118.3305	0.220	2	118.3305	0.048	2	118.9433	0.217	8	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5]C[6])(C[6]N[6]C)(H)	N[6](B[5]O[5]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[5]C[6])(C[6]N[6]C)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	N[6](B[5]O[5]2)(C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]N[6])	119.0800	0.000	1	119.0800	0.000	1	118.9433	0.217	8	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5]C[6])(C[6]N[6]H)(H)	N[6](B[5]O[5]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[5]C[6])(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	N[6](B[5]O[5]2)(C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]N[6])	119.3490	0.000	1	119.3490	0.000	1	118.9433	0.217	8	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[5]-3:C[6]-3:N[6]-3:	C[6]-3:	C[6](N[6]B[5]N[6])(C[6]C[6]H)(H)	N[6](B[5]O[5]2)(C[6]C[6]H)(N[6]C[6]B)	H(C[6]C[6]N[6])	C[6](N[6]B[5]N[6])(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	N[6](B[5]O[5]2)(C[6]C[6]H)(N[6]C[6]B){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6])	120.0470	0.000	1	120.0470	0.000	1	120.0470	0.000	1	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[5a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	N[6](B[5a]N[5a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,3|N<3>}	N[6](B[5a]N[5a]2)(C[6]C[6]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6])	117.9415	0.261	4	118.0817	0.105	6	118.0817	0.105	6	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[5a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	N[6](B[5a]N[5a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	N[6](B[5a]N[5a]2)(C[6]C[6]H)2{2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	118.3620	0.288	2	118.0817	0.105	6	118.0817	0.105	6	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	N[6](B[6]C[6]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[6](B[6]C[6]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	H(C[6]C[6]N[6])	118.6120	0.159	4	119.1414	0.390	8	119.1056	0.312	10	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	N[6](B[6]C[6]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](B[6]C[6]2)(C[6]C[6]H)2{3|H<1>,4|C<3>}	H(C[6]C[6]N[6])	119.6707	0.372	4	119.1414	0.390	8	119.1056	0.312	10	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	N[6](B[6]O[6]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	N[6](B[6]O[6]2)(C[6]C[6]H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6])	118.9625	0.163	2	118.9625	0.027	2	119.1056	0.312	10	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H)	N[6](B[6a]O[6a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|O<2>}	N[6](B[6a]O[6a]2)(C[6]C[6]H)2{1|B<3>,1|B<4>,1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.2559	0.792	8	119.2559	0.627	8	119.2559	0.627	8	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[4]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[4]C[6])(C[6]C[6]C)(H)	N[6](C[4]C[4]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[4]C[6])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	N[6](C[4]C[4]2)(C[6]C[6]H)2{1|H<1>,2|O<1>,3|C<3>}	H(C[6]C[6]N[6])	119.7580	0.000	1	119.7580	0.000	1	119.0983	3.172	9	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[4]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	N[6](C[4]C[4]2)(C[6]C[6]H)(C[6]C[6]N)	H(C[6]C[6]N[6])	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[4]C[4]2)(C[6]C[6]H)(C[6]C[6]N){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	H(C[6]C[6]N[6])	119.6730	0.000	1	119.6730	0.000	1	119.0983	3.172	9	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[4]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	N[6](C[4]C[4]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[4]C[4]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[6]N[6])	119.0230	0.000	1	118.9220	4.065	7	119.0983	3.172	9	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[4]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	N[6](C[4]C[4]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[4]C[4]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[6]N[6])	119.4650	0.371	2	118.9220	4.065	7	119.0983	3.172	9	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[4]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	N[6](C[4]C[4]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[6](C[4]C[4]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[6]N[6])	119.8005	0.128	2	118.9220	4.065	7	119.0983	3.172	9	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[4]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	N[6](C[4]C[4]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](C[4]C[4]2)(C[6]C[6]H)2{1|H<1>,2|O<1>,3|C<3>}	H(C[6]C[6]N[6])	120.4300	0.000	1	118.9220	4.065	7	119.0983	3.172	9	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[4]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	N[6](C[4]C[4]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](C[4]C[4]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[6]N[6])	114.4700	0.000	1	118.9220	4.065	7	119.0983	3.172	9	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[5]C[5]2)(C[6]C[6]H)2{1|Br<1>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6]N[6])	119.0245	0.511	2	117.2812	8.736	6	118.6754	6.104	12	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[6](C[5]C[5]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[6]N[6])	119.2730	0.180	2	117.2812	8.736	6	118.6754	6.104	12	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](C[5]C[5]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6])	113.5460	1.212	2	117.2812	8.736	6	118.6754	6.104	12	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]N[5])(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6])	120.0230	0.188	4	120.0697	0.028	6	118.6754	6.104	12	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]N[5])(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	120.1630	0.086	2	120.0697	0.028	6	118.6754	6.104	12	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5a]C[6])(C[6]C[6]H)(H)	N[6](C[5a]C[5a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[5a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](C[5a]C[5a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6])	117.7240	0.854	2	117.7240	0.730	2	117.7240	0.730	2	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHH)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]N[6]H)(H){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHH){1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.1570	0.000	1	120.1570	0.000	1	120.1570	0.000	1	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C[6a])(C[6]N[6]H)(H){4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6])	120.2310	0.184	3	120.2310	0.034	3	120.2310	0.034	3	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:B[5]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(B[5]O[5]2)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|O<2>}	N[6](C[6]C[6a]C[6])(B[5]O[5]2)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6])	118.5540	0.000	1	118.5540	0.000	1	118.5540	0.000	1	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:As-3:	C[6]-3:	C[6](N[6]C[6]As)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(AsN[6]2)	H(C[6]C[6]N[6])	C[6](N[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(AsN[6]2){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.8473	0.323	6	118.8473	0.104	6	118.8473	0.104	6	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ge-3:	C[6]-3:	C[6](N[6]C[6]Ge)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(GeCl2)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Ge)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(GeCl2){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.3775	0.019	2	118.3775	0.000	2	118.3775	0.000	2	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P[4]-3:	C[6]-3:	C[6](N[6]C[6]P[4])(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(P[4]N[4]2)	H(C[6]C[6]N[6])	C[6](N[6]C[6]P[4])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	N[6](C[6]C[6]H)2(P[4]N[4]2){1|P<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.4670	0.098	4	118.4670	0.010	4	118.4670	0.010	4	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]C)(H)	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]C)(H){1|C<4>,4|C<3>}	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6])	118.5980	0.000	1	118.5980	0.000	1	118.8888	0.085	5	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){5|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	119.0945	0.305	2	119.0945	0.093	2	118.8888	0.085	5	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6])	118.8285	0.269	2	118.8285	0.073	2	118.8888	0.085	5	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H){1|H<1>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6])	118.0510	0.045	2	118.0510	0.002	2	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,2|C<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.5260	0.000	1	118.3401	0.031	8	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6])	118.3687	0.099	6	118.3401	0.031	8	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6])	117.9830	0.000	1	118.3401	0.031	8	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[5,6a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6a]C[5,6a]2)(C[6]C[6]H)2{2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	119.1195	0.226	2	119.1195	0.051	2	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{3|H<1>,4|C<3>}	H(C[6]C[6]N[6])	120.1015	0.035	2	120.1015	0.001	2	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6])	115.1420	0.000	1	115.1420	0.000	1	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]N)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]N){3|C<3>,4|H<1>}	H(C[6]C[6]N[6])	119.5070	0.000	1	119.5070	0.000	1	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){2|O<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	H(C[6]C[6]N[6])	118.3420	0.000	1	118.3420	0.000	1	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]P)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|P<3>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]P){2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]N[6])	119.6510	0.000	1	119.5440	0.023	2	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]P)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|P<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]P){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.4370	0.000	1	119.5440	0.023	2	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]O)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]O){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6])	118.8250	0.000	1	118.8250	0.000	1	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6])	118.4880	0.041	2	119.5394	1.037	114	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|Cl<1>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.3930	0.122	2	119.5394	1.037	114	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	H(C[6]C[6]N[6])	119.2955	0.008	2	119.5394	1.037	114	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6])	120.0067	0.069	4	119.5394	1.037	114	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.4890	0.134	2	119.5394	1.037	114	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	H(C[6]C[6]N[6])	119.4780	1.138	84	119.5394	1.037	114	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|Cl<1>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	120.2240	0.110	2	119.5394	1.037	114	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	H(C[6]C[6]N[6])	119.9153	0.426	15	119.5394	1.037	114	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6])	118.8050	0.000	1	119.5394	1.037	114	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]P)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|P<3>,2|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]C[6]P){3|C<3>,3|H<1>}	H(C[6]C[6]N[6])	118.3683	1.992	3	118.3683	3.970	3	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.2040	0.099	2	119.2648	0.010	4	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{3|C<3>,4|H<1>}	H(C[6]C[6]N[6])	119.3255	0.063	2	119.2648	0.010	4	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6a]N[6a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[6](C[6a]N[6a]2)(C[6]C[6]H)2{2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.1773	2.774	8	118.1773	7.695	8	119.3104	1.547	149	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	Ge[4]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Ge[4]C[6])(C[6]C[6]H)(H)	N[6](Ge[4]N[4]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Ge[4]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	N[6](Ge[4]N[4]2)(C[6]C[6]H)2{1|B<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	117.8385	0.168	2	117.8385	0.028	2	117.8385	0.028	2	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:H-1:	Si[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Si[6a]C[6])(C[6]C[6]H)(H)	N[6](Si[6a]N[6a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Si[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	N[6](Si[6a]N[6a]2)(C[6]C[6]H)2{2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	117.9680	0.150	2	117.9680	0.022	2	117.9680	0.022	2	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6a]C[6a])2(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H)	H(C[6]N[6]2)	C[6](N[6]C[6,6a]C[6a])2(H){7|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H){3|H<1>,6|C<3>}	H(C[6]N[6]2)	118.1420	0.690	2	118.1420	0.476	2	118.1420	0.476	2	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H)	H(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H){1|H<1>,3|C<3>,3|C<4>}	H(C[6]N[6]2)	119.3720	0.000	1	119.3720	0.000	1	118.1360	1.146	3	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]H)	H(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(H){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]H){4|C<3>,4|C<4>}	H(C[6]N[6]2)	117.5180	0.017	2	117.5180	0.000	2	118.1360	1.146	3	119.1302	1.393	443	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[5,6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]P[5])(N[6]C[6]C)(H)	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]P[5])(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|P<4>}	H(C[6]C[5,6]N[6])	120.7040	0.588	2	120.7040	0.346	2	120.7918	0.168	4	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[5,6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]P[5])(N[6]C[6]C)(H)	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	H(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]P[5])(N[6]C[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	H(C[6]C[5,6]N[6])	120.8795	0.357	2	120.8795	0.128	2	120.7918	0.168	4	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(CC[6a]HH)	H(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]C)(H){1|N<2>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(CC[6a]HH){1|H<1>,4|C<3>}	H(C[6]C[5a,6]N[6])	119.2190	0.000	1	119.2190	0.000	1	119.2190	0.000	1	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[5a,6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H){1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|S<2>}	H(C[6]C[5a,6]N[6])	120.4190	0.000	1	120.4190	0.000	1	120.4190	0.000	1	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]N[6])	118.3300	0.000	1	118.4230	0.017	2	118.8960	3.163	11	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6])	118.5160	0.000	1	118.4230	0.017	2	118.8960	3.163	11	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CH3)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CH3){1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6])	117.6375	2.119	2	117.6375	4.491	2	118.8960	3.163	11	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]H)(CH3)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H){1|O<2>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]H)(CH3){5|C<3>}	H(C[6]C[6,6a]N[6])	118.5042	0.196	5	118.5042	0.038	5	118.8960	3.163	11	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]C)(H){4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]N[6])	121.6070	2.809	2	121.6070	7.888	2	118.8960	3.163	11	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[3]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[3])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[3]C[3]2H)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[3])(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[3]C[3]2H){4|C<3>,5|H<1>}	H(C[6]C[6,6a]N[6])	118.5540	0.000	1	118.4690	0.014	2	118.4690	0.014	2	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[3]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[3])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[3]C[3]2H)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[3])(H){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(C[3]C[3]2H){4|C<3>,5|H<1>}	H(C[6]C[6,6a]N[6])	118.3840	0.000	1	118.4690	0.014	2	118.4690	0.014	2	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)2(CN[6]HH)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)2(CN[6]HH){3|C<3>}	H(C[6]C[6,6a]N[6])	119.8804	0.194	8	119.8804	0.037	8	119.3694	0.224	44	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCCH)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6])	118.9370	0.000	1	118.9370	0.000	1	119.3694	0.224	44	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCHH)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6])	119.1584	0.391	17	119.1584	0.153	17	119.3694	0.224	44	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[5]HH)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[5]HH){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6])	119.8370	0.000	1	119.8370	0.000	1	119.3694	0.224	44	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6])	119.3427	0.559	12	119.3427	0.312	12	119.3694	0.224	44	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6])	119.2620	0.000	1	119.3264	0.055	5	119.3694	0.224	44	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6])	119.3425	0.269	4	119.3264	0.055	5	119.3694	0.224	44	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]2)(N[6]C[6a]B[6])(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]2)(N[6]C[6a]B[6])(H){2|F<1>,2|O<2>,4|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6])	118.6653	2.865	4	118.6653	8.210	4	118.7029	1.295	22	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CC)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CC){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6])	118.6740	0.000	1	118.6740	0.000	1	118.7029	1.295	22	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6])	118.8336	0.482	9	118.8336	0.232	9	118.7029	1.295	22	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]OO)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,3|O<2>,4|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]OO){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6])	118.5120	0.000	1	118.5120	0.000	1	118.7029	1.295	22	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CF)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H){1|F<1>,1|O<2>,6|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CF){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6])	118.4120	0.000	1	118.4120	0.000	1	118.7029	1.295	22	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H){1|O<2>,2|F<1>,5|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]N[6])	118.7780	0.060	3	118.6172	0.079	6	118.7029	1.295	22	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H){1|O<2>,2|F<1>,5|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){1|H<1>,1|S<2>,4|C<3>}	H(C[6]C[6,6a]N[6])	118.7470	0.000	1	118.6172	0.079	6	118.7029	1.295	22	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6a]-3:B[6]-4:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H){1|O<2>,2|F<1>,5|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6])	118.3110	0.325	2	118.6172	0.079	6	118.7029	1.295	22	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6])	118.8816	0.204	5	118.8816	0.042	5	118.8816	0.042	5	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:B[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)(B[6]O[6]FF)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)(B[6]O[6]FF){1|H<1>,5|C<3>}	H(C[6]C[6,6a]N[6])	118.7280	0.259	2	118.7280	0.067	2	118.6700	0.044	3	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:B[6]-4:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)(B[6]O[6]FF)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])(H){1|O<2>,2|F<1>,5|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)(B[6]O[6]FF){1|H<1>,5|C<3>}	H(C[6]C[6,6a]N[6])	118.5540	0.000	1	118.5540	0.000	1	118.6700	0.044	3	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:In[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]In[6])(H)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)(In[6]O[6]CC)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]In[6])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)(In[6]O[6]CC){1|H<1>,1|N<2>,4|C<3>}	H(C[6]C[6,6a]N[6])	115.7635	0.532	4	115.7635	0.283	4	115.7635	0.283	4	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	B[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]B[6]C)(H)	N[6](B[6]C[6]N)(C[6]C[6]H)(CC3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]B[6]C)(H){1|C<4>,1|N<3>,2|H<1>}	N[6](B[6]C[6]N)(C[6]C[6]H)(CC3){1|C<4>,3|H<1>}	H(C[6]C[6]N[6])	115.6025	2.668	2	115.6025	7.118	2	115.6025	7.118	2	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5]C[6])(N[6]C[6,6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[5]C[6])(N[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	H(C[6]C[6]N[6])	118.6320	0.000	1	118.6320	0.000	1	116.8540	6.429	9	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H){1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]N[6])	119.9320	0.000	1	119.9320	0.000	1	116.8540	6.429	9	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H){1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]N[6])	117.8240	0.000	2	117.8240	0.000	2	116.8540	6.429	9	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H){1|Cd<4>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6])	116.3890	4.014	2	115.4948	6.920	5	116.8540	6.429	9	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6])	113.0460	0.000	1	115.4948	6.920	5	116.8540	6.429	9	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H){1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]N[6])	117.1960	0.000	1	115.4948	6.920	5	116.8540	6.429	9	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H){1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]N[6])	114.4540	0.000	1	115.4948	6.920	5	116.8540	6.429	9	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]B)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6]CC)	H(C[6]C[6]N[6])	C[6](C[6]C[6]B)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[6]CC){1|B<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	116.3180	1.386	2	116.3180	1.921	2	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(BC[6a]3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(BC[6a]3){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	117.9925	0.326	2	117.9925	0.106	2	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.1340	0.014	2	118.1340	0.000	2	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2C)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2C){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.2660	0.000	1	118.2660	0.000	1	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3){1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	118.3555	0.122	2	118.2692	0.025	4	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.3080	0.000	1	118.2692	0.025	4	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.0580	0.000	1	118.2692	0.025	4	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BCl3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BCl3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.3810	0.110	2	118.3810	0.012	2	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(BC[6a]3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(BC[6a]3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.2775	0.114	2	118.2775	0.013	2	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[5]2Pt)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[5]2Pt){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0100	0.000	1	119.0100	0.000	1	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[6]2Pd)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[6]2Pd){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0887	0.156	3	119.0887	0.024	3	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[6]2Ru)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[6]2Ru){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.5947	0.078	3	118.5947	0.006	3	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[6]RhH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(BN[6]RhH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.9580	0.129	2	118.9580	0.017	2	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BCCO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(BCCO){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.6658	0.166	4	118.6658	0.028	4	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BCHH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0500	0.007	2	119.0500	0.000	2	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[5]CF)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[5]CF){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0710	0.247	2	119.0710	0.061	2	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[5]CH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(BC[5]CH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.1535	0.076	2	118.1535	0.006	2	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[5]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[5]HH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.9400	0.028	2	118.9400	0.001	2	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6]CC)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6]CC){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.7333	0.100	9	118.4355	0.490	11	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6]CC)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[6]CC){1|B<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	117.0955	0.655	2	118.4355	0.490	11	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[6]HH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.9740	0.030	2	118.9740	0.001	2	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]2C)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[6a]2C){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.9608	0.190	15	118.9608	0.036	15	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]2H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[6a]2H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.9808	0.095	4	118.9808	0.009	4	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]2O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(BC[6a]2O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.2310	0.105	2	118.5798	0.172	4	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]2O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[6a]2O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.9285	0.136	2	118.5798	0.172	4	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]2P)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]2P){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.7485	0.046	2	118.7485	0.002	2	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.8185	0.118	4	118.7206	0.856	29	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.8440	0.054	2	118.7206	0.856	29	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<5>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.6490	0.000	1	118.7206	0.856	29	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	117.9380	0.000	1	118.7206	0.856	29	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	119.0189	0.124	19	118.7206	0.856	29	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	115.9945	2.532	2	118.7206	0.856	29	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]BF)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(BC[6a]BF){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.2667	0.165	3	118.2667	0.027	3	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]CC)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[6a]CC){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.8798	0.254	10	118.8798	0.064	10	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]CH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[6a]CH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.8810	0.058	2	118.8810	0.003	2	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]CN)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[6a]CN){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.7105	0.086	2	118.7105	0.007	2	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(BC[6a]HH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.0720	0.039	4	118.4398	0.348	6	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[6a]HH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.1755	0.334	2	118.4398	0.348	6	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]HO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(BC[6a]HO){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.2785	0.013	2	118.2785	0.000	2	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]NN)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BC[6a]NN){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	116.7970	1.202	2	116.7970	1.445	2	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(BH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.6860	0.148	2	118.6860	0.022	2	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BHHN)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(BHHN){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.1922	0.130	6	118.4704	0.285	8	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BHHN)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(BHHN){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3050	0.229	2	118.4704	0.285	8	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BN[5]3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(BN[5]3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.2445	0.241	2	118.2445	0.058	2	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BN[6]2H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BN[6]2H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.2204	0.448	5	119.2204	0.201	5	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BN[6]3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(BN[6]3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.1373	0.276	14	119.1373	0.076	14	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BO3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(BO3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.3870	0.008	2	117.8164	6.714	12	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BO3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(BO3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	117.7023	2.849	10	117.8164	6.714	12	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]Ru)(C[6]C[6]H)(BCoRuH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|Ru<9>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Ru)(C[6]C[6]H)(BCoRuH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.1810	0.000	1	119.1810	0.000	1	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2C)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2C){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.5630	0.000	1	118.5630	0.000	1	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2F)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]2F){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.8160	0.000	1	118.8160	0.000	1	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(BC[6a]3){1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	117.9560	0.000	1	117.9560	0.000	1	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6]B)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	119.2264	0.231	7	119.2264	0.053	7	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6]B)(H){1|Pd<3>,2|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(BC[6a]3){1|C<4>,2|C<3>}	H(C[6]C[6]N[6])	118.1925	0.023	2	118.1925	0.001	2	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BC[6a]3){1|N<2>,2|H<1>}	H(C[6]C[6]N[6])	118.9825	0.144	2	118.9825	0.021	2	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BN3)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]B)(H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(BN3){1|N<3>,2|H<1>}	H(C[6]C[6]N[6])	118.6070	0.010	2	118.6070	0.000	2	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](C[6]N[6a]C[6])(N[6]C[6]B)(H)	N[6](C[6]C[6]H)2(BC[6a]3)	H(C[6]C[6]N[6])	C[6](C[6]N[6a]C[6])(N[6]C[6]B)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	119.1829	0.105	12	119.1829	0.011	12	118.6648	0.807	202	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[4,6]H)(N[6]C[6]C)(H)	N[6](C[6]C[4,5,6]O)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[4,6]H)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[4,5,6]O)(C[6]C[6]H)(CH3){1|H<1>,3|C<4>}	H(C[6]C[6]N[6])	117.8830	0.000	1	117.8830	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5,6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[5,6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|P<4>}	H(C[6]C[6]N[6])	119.2030	0.075	2	119.2030	0.006	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5,6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[5,6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	H(C[6]C[6]N[6])	118.9860	0.017	2	118.9860	0.000	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5]C[6])(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[5]C[6])(N[6]C[6]C)(H){1|C<3>,2|H<1>,2|N<3>}	N[6](C[6]C[6]H)2(CH3){3|C<3>}	H(C[6]C[6]N[6])	119.9895	0.537	2	119.9895	0.288	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5a,6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[5a,6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|S<2>}	H(C[6]C[6]N[6])	119.2950	0.000	1	119.2950	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5a,6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5a,6]S)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[5a,6]H)(N[6]C[6]C)(H){1|S<1>,2|C<3>}	N[6](C[6]C[5a,6]S)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	H(C[6]C[6]N[6])	118.6177	0.155	3	118.6177	0.024	3	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCHH){3|C<3>}	H(C[6]C[6]N[6])	119.6505	0.202	2	119.6505	0.041	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){3|C<3>}	H(C[6]C[6]N[6])	119.0594	0.733	10	119.0594	0.537	10	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6]Br)(N[6]C[6]C)(H)	N[6](C[6]N[6,6]O)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6]Br)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	N[6](C[6]N[6,6]O)(C[6]C[6]H)(CCHH){1|Br<1>,1|B<4>,1|C<3>}	H(C[6]C[6]N[6])	119.4620	0.000	1	119.4620	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<2>,2|C<3>}	N[6](C[6]C[6,6a]C)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	117.8175	0.650	2	117.8175	0.422	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){3|C<3>}	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|H<1>,4|C<3>}	H(C[6]C[6]N[6])	119.5990	0.000	1	119.5990	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){3|C<3>}	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	H(C[6]C[6]N[6])	119.2130	0.000	1	119.2130	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCCH)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.3160	0.000	1	119.3160	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.3532	0.583	17	119.3532	0.340	17	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[5]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[5]HH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	120.2750	0.000	1	120.2750	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.5093	0.430	13	119.5093	0.185	13	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.6400	0.387	5	119.6400	0.150	5	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]Ir)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|Ir<8>,2|C<3>}	N[6](C[6]C[6,6a]Ir)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.0163	0.482	3	119.0163	0.232	3	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]Rh)(C[6]C[6]H)(CCCH)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|Rh<6>,2|C<3>}	N[6](C[6]C[6,6a]Rh)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.1890	0.164	2	119.1890	0.027	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]Rh)(C[6]C[6]H)(CC[6a]CH)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|Rh<6>,2|C<3>}	N[6](C[6]C[6,6a]Rh)(C[6]C[6]H)(CC[6a]CH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.0130	0.000	1	119.0130	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]Se)(C[6]C[6]H)(CCCH)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|Se<1>,2|C<3>}	N[6](C[6]C[6,6a]Se)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	118.8555	0.040	2	118.8555	0.002	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]2)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]2)(N[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	120.4723	1.359	4	120.4723	1.846	4	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]B)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]B)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|B<3>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.3220	0.000	1	119.3220	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.2167	0.224	3	119.2167	0.050	3	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]I)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|I<1>}	N[6](C[6]C[6]H)(C[6]C[6]I)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.4570	0.000	1	119.4570	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|N<2>,2|O<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|Br<1>,1|C<3>}	H(C[6]C[6]N[6])	112.7540	0.000	1	112.7540	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|Br<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.1167	0.281	4	120.1167	0.079	4	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|Br<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.1325	0.263	11	120.2060	0.101	25	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){2|Br<1>,1|C<3>}	H(C[6]C[6]N[6])	120.2637	0.353	14	120.2060	0.101	25	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]As)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|As<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]As)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.4140	0.000	1	119.4140	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	118.9410	0.338	2	118.9410	0.114	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.2120	0.000	1	119.2120	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|Br<1>,2|C<3>}	H(C[6]C[6]N[6])	119.8160	0.028	2	118.8430	1.267	4	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	117.8700	0.113	2	118.8430	1.267	4	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.3110	0.000	1	119.3110	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	115.2940	0.000	1	115.2940	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]C)(CC[6]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]C)(CC[6]HH){1|C<3>,1|C<4>}	H(C[6]C[6]N[6])	119.1538	3.160	4	119.1538	9.986	4	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|N<2>,2|O<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,1|C<4>}	H(C[6]C[6]N[6])	112.3800	0.000	1	112.3800	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Pd<4>,1|C<3>,1|C<4>}	H(C[6]C[6]N[6])	118.8015	0.067	2	118.8140	0.003	3	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|Pd<5>,1|N<3>,1|O<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Pd<5>,2|C<4>}	H(C[6]C[6]N[6])	118.8390	0.000	1	118.8140	0.003	3	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]S)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|N<2>,1|S<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(CCHH){2|C<3>}	H(C[6]C[6]N[6])	115.7530	0.000	1	115.7530	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|N<2>,1|S<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(CH3){2|C<3>}	H(C[6]C[6]N[6])	119.2360	0.000	1	119.2360	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	118.5820	0.000	1	118.7975	4.765	37	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<2>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	114.4460	0.000	1	118.7975	4.765	37	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.8903	0.052	3	118.7975	4.765	37	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.2343	0.160	3	118.7975	4.765	37	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|C<4>}	H(C[6]C[6]N[6])	119.6885	0.217	2	118.7975	4.765	37	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.6661	1.184	21	118.7975	4.765	37	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<4>,2|C<3>}	H(C[6]C[6]N[6])	115.4567	2.678	6	118.7975	4.765	37	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]CH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.1695	0.146	2	119.1695	0.021	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<4>,2|C<3>}	H(C[6]C[6]N[6])	118.7400	0.062	2	119.2951	1.651	42	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	118.5450	0.000	1	119.2951	1.651	42	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.8112	1.093	11	119.2951	1.651	42	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|C<4>}	H(C[6]C[6]N[6])	119.4237	0.362	6	119.2951	1.651	42	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.3708	1.616	12	119.2951	1.651	42	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){3|C<3>}	H(C[6]C[6]N[6])	119.6480	0.305	2	119.2951	1.651	42	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<2>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	118.4650	0.000	1	119.2951	1.651	42	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	115.3190	0.000	1	119.2951	1.651	42	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.7835	1.809	2	119.2951	1.651	42	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<4>,2|C<3>}	H(C[6]C[6]N[6])	118.7025	0.191	4	119.2951	1.651	42	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	118.9140	0.000	1	119.3008	2.904	61	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	H(C[6]C[6]N[6])	119.2255	0.194	2	119.3008	2.904	61	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	H(C[6]C[6]N[6])	118.9045	0.087	2	119.3008	2.904	61	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.2782	1.617	5	119.3008	2.904	61	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.5690	0.322	4	119.3008	2.904	61	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<2>}	H(C[6]C[6]N[6])	119.6521	0.380	8	119.3008	2.904	61	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	118.6446	3.690	10	119.3008	2.904	61	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<3>}	H(C[6]C[6]N[6])	119.8410	0.000	1	119.3008	2.904	61	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){3|C<3>}	H(C[6]C[6]N[6])	119.3989	1.477	16	119.3008	2.904	61	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	H(C[6]C[6]N[6])	119.4684	0.168	12	119.3008	2.904	61	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CHHN)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	118.4075	0.006	2	118.4075	0.000	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]Rh)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|Rh<7>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Rh)(C[6]C[6]H)(CH3){1|N<3>,2|C<3>}	H(C[6]C[6]N[6])	119.4230	0.000	1	119.4230	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]Cl)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Cl)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.1060	0.129	2	120.1060	0.017	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]Cl)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Cl)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|Cl<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.2430	0.000	1	120.2430	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]F)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]F)(N[6]C[6]C)(H){1|N<2>,2|O<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,1|F<1>}	H(C[6]C[6]N[6])	120.2810	0.106	2	120.2810	0.011	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]F)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]F)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|F<1>,1|H<1>}	H(C[6]C[6]N[6])	120.8150	0.000	1	120.8150	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[4]C[6])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[4]C[6])(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6])	116.7705	3.965	2	117.8573	11.403	3	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[4]C[6])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[4]C[6])(C[6]C[6]H)(CH3){3|C<3>,3|H<1>}	H(C[6]C[6]N[6])	120.0310	0.000	1	117.8573	11.403	3	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){1|Ir<8>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]N[6])	119.7150	0.000	1	119.5764	0.072	8	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6])	119.7607	0.343	3	119.5764	0.072	8	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.4970	0.000	1	119.5764	0.072	8	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3925	0.104	2	119.5764	0.072	8	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[5]C[6])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.3320	0.000	1	119.5764	0.072	8	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6])	119.8792	0.348	4	119.8792	0.121	4	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.2560	0.000	1	119.2560	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.4174	0.233	5	119.4023	0.089	10	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3907	0.502	3	119.4023	0.089	10	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6])	119.5740	0.000	1	119.4023	0.089	10	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CCHH){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.1900	0.000	1	119.4023	0.089	10	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CH3){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6])	119.2627	0.270	4	120.8453	4.290	7	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]2)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	122.9553	1.036	3	120.8453	4.290	7	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.1300	0.000	1	119.1300	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3370	0.280	2	118.9139	1.125	19	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.2435	0.186	10	118.9139	1.125	19	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	117.1790	2.130	3	118.9139	1.125	19	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.1797	0.094	4	118.9139	1.125	19	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[3]RuC)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[3]RuC){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.5890	0.000	1	119.5890	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[5]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[5]HH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.6440	0.000	1	119.6440	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.5843	0.477	6	119.4819	0.140	14	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	119.5872	0.039	5	119.4819	0.140	14	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	119.1280	0.339	2	119.4819	0.140	14	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.0490	0.000	1	119.4819	0.140	14	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.4772	0.402	6	119.0075	1.556	48	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.5190	0.000	1	119.0075	1.556	48	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.1487	0.854	8	119.0075	1.556	48	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	114.5950	0.000	1	119.0075	1.556	48	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	118.7140	0.000	1	119.0075	1.556	48	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	119.6071	0.155	7	119.0075	1.556	48	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.5440	0.899	2	119.0075	1.556	48	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.1409	0.619	21	119.0075	1.556	48	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	113.1810	0.000	1	119.0075	1.556	48	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.5100	0.000	1	119.5100	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.4527	0.284	3	119.4140	0.043	5	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Cl<1>,1|Ni<4>,1|C<3>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3280	0.000	1	119.4140	0.043	5	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Cl<1>,1|Pd<4>,1|C<3>}	N[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3840	0.000	1	119.4140	0.043	5	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]F)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|F<1>,1|H<1>}	N[6](C[6]C[6]F)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.6025	0.042	2	119.6025	0.002	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<2>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	118.5890	0.000	1	119.0937	0.130	10	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3800	0.000	1	119.0937	0.130	10	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0505	0.185	2	119.0937	0.130	10	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.1445	0.395	6	119.0937	0.130	10	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[5]HH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.1480	0.000	1	119.1480	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.2060	0.216	3	119.1760	0.033	9	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.1610	0.185	6	119.1760	0.033	9	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.5112	2.009	6	119.1298	1.760	16	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.5010	0.531	10	119.1298	1.760	16	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	119.8220	0.071	2	119.6040	0.056	5	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.4587	0.175	3	119.6040	0.056	5	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(CSiHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CSiHH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3590	0.000	1	119.3590	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|P<4>}	N[6](C[6]C[6]H)(C[6]C[6]P)(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3620	0.000	1	119.3660	0.000	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|P<5>}	N[6](C[6]C[6]H)(C[6]C[6]P)(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3700	0.000	1	119.3660	0.000	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]P)(CIrHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|P<4>}	N[6](C[6]C[6]H)(C[6]C[6]P)(CIrHH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.4910	0.000	1	119.4910	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	120.4614	0.760	5	119.8199	0.902	9	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]H)(C[6]C[6]S)(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0180	0.300	4	119.8199	0.902	9	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.2330	0.000	1	120.2330	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|N<2>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.3210	0.000	1	120.3210	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<2>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]N)(CCHH){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.6275	0.264	2	119.6275	0.070	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)(CHHP)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|N<2>,2|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]N)(CHHP){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	114.8890	0.741	2	114.8890	0.549	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|N<2>,2|O<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	118.6980	0.000	1	118.6472	0.035	8	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.6572	0.213	6	118.6472	0.035	8	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|Zn<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	118.5370	0.000	1	118.6472	0.035	8	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CC[5a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|N<2>,2|O<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CC[5a]HH){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.0470	0.000	1	119.0470	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	116.7965	2.604	2	118.4721	2.542	15	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	118.9860	0.000	1	118.4721	2.542	15	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	117.3370	2.427	3	118.4721	2.542	15	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.4010	0.354	2	118.4721	2.542	15	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.0740	0.730	6	118.4721	2.542	15	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Re<6>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.2460	0.000	1	118.4721	2.542	15	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCCH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CCCH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.2293	0.869	4	119.3549	2.843	23	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCCH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCCH){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	120.3290	0.000	1	119.3549	2.843	23	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCCH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCCH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.0367	2.869	6	119.3549	2.843	23	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCCH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CCCH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.6414	0.580	12	119.3549	2.843	23	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3041	0.869	20	119.4356	1.036	706	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.9412	1.921	29	119.4356	1.036	706	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.5340	0.000	1	119.4356	1.036	706	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0026	0.298	41	119.4356	1.036	706	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.1480	0.107	3	119.4356	1.036	706	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<2>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	118.2950	0.000	1	119.4356	1.036	706	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.7480	0.288	3	119.4356	1.036	706	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.8547	0.341	3	119.4356	1.036	706	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|F<1>,1|H<1>}	H(C[6]C[6]N[6])	119.8970	0.000	1	119.4356	1.036	706	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	120.3510	0.161	2	119.4356	1.036	706	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	120.2032	0.174	6	119.4356	1.036	706	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.5933	1.046	266	119.4356	1.036	706	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.7340	0.338	2	119.4356	1.036	706	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.3045	1.781	21	119.4356	1.036	706	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3966	0.858	306	119.4356	1.036	706	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	119.1110	0.000	1	119.4356	1.036	706	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[5]CH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[5]CH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.9240	0.020	2	119.9240	0.000	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[5]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[5]HH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0695	1.795	12	119.0695	3.222	12	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[5a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[5a]HH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0840	0.086	2	119.7025	0.197	4	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[5a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CC[5a]HH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3210	0.034	2	119.7025	0.197	4	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.9280	0.320	8	119.8439	0.069	16	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CC[6]HH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.7597	0.169	8	119.8439	0.069	16	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]2H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CC[6a]2H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.5980	0.115	2	119.5980	0.013	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.4755	0.818	2	119.4755	0.669	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]CH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.7365	0.128	2	119.7365	0.016	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]FF)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]FF){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.1055	0.083	4	120.1055	0.007	4	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	114.8350	0.000	1	119.4576	0.914	728	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.5898	0.670	18	119.4576	0.914	728	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.5436	0.606	34	119.4576	0.914	728	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.1770	0.088	4	119.4576	0.914	728	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0196	0.506	68	119.4576	0.914	728	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.0160	0.000	1	119.4576	0.914	728	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|Br<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.8357	0.413	4	119.4576	0.914	728	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	120.2153	0.587	11	119.4576	0.914	728	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|I<1>}	H(C[6]C[6]N[6])	119.9660	0.422	12	119.4576	0.914	728	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6])	120.3365	0.189	2	119.4576	0.914	728	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	120.2228	0.165	6	119.4576	0.914	728	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.4889	1.034	232	119.4576	0.914	728	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.8206	0.430	12	119.4576	0.914	728	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<2>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	118.9620	0.000	1	119.4576	0.914	728	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	115.1940	0.000	1	119.4576	0.914	728	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.4608	0.971	319	119.4576	0.914	728	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.6890	1.177	2	119.4576	0.914	728	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|I<1>}	H(C[6]C[6]N[6])	119.6735	0.165	11	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.6625	0.253	31	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.5320	0.201	2	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3845	1.531	66	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.0320	2.160	8	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	119.6930	0.000	1	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6])	118.9910	0.262	2	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.7154	1.467	30	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(CH3){1|Rh<6>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.2600	0.000	1	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|P<4>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.8720	0.252	2	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.1700	0.105	4	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|B<3>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.8880	0.000	1	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|Br<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.1062	0.172	10	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	118.9660	1.615	5	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	120.0020	0.085	4	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|I<1>}	H(C[6]C[6]N[6])	119.9030	0.552	12	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6])	120.2430	0.000	1	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	120.2273	0.168	19	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	119.1676	0.377	5	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.9580	0.323	44	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|Cl<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.0740	0.000	1	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.7482	0.669	10	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|Ni<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.2300	0.000	1	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|Pd<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.5880	0.000	1	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	120.5570	0.021	2	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3454	1.232	591	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	118.8710	0.000	1	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CH3){1|Ir<6>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.9543	0.277	3	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CH3){1|Ir<8>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.2200	0.000	1	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	119.8070	0.000	1	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.9737	1.439	4	119.4136	1.437	875	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CHHN)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.4470	0.042	2	120.6656	0.773	10	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CHHN)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CHHN){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.9702	0.681	8	120.6656	0.773	10	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CN[5]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CN[5]HH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.9665	0.100	2	119.9665	0.010	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CN[6]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,2|H<1>}	N[6](C[6]C[6]H)2(CN[6]HH){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	117.7837	5.463	4	118.0063	9.360	50	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CN[6]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	116.6723	3.195	26	118.0063	9.360	50	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CN[6]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CN[6]HH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.7850	0.464	20	118.0063	9.360	50	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CPdCH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CPdCH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.6000	0.232	2	119.6000	0.054	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CReHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CReHH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.5825	0.142	2	119.5825	0.020	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CSeHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CSeHH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.9795	0.088	2	119.9795	0.008	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]Ir)(C[6]C[6]H)(CCHO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Ir)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.7420	0.000	1	119.7420	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]Ir)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Ir)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.3350	0.000	1	119.3350	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6])	119.1320	0.585	2	119.1320	0.343	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]Pd)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Pd)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.9900	0.000	1	119.3720	0.363	3	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]Pd)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Pd<5>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Pd)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.0630	0.392	2	119.3720	0.363	3	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]Ru)(C[6]C[6]H)(CCFF)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Ru<8>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Ru)(C[6]C[6]H)(CCFF){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.2710	0.000	1	120.2710	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]Ru)(C[6]C[6]H)(CCFH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Ru<8>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Ru)(C[6]C[6]H)(CCFH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0320	0.000	1	120.0320	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.2714	0.131	5	119.2780	0.014	6	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.3110	0.000	1	119.2780	0.014	6	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	114.4350	0.000	1	114.4350	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	114.6262	5.697	4	114.6262	32.456	4	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|I<1>}	H(C[6]C[6]N[6])	118.3460	0.000	1	118.3460	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,1|H<1>,1|I<1>}	H(C[6]C[6]N[6])	119.4760	0.000	1	119.4760	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|I<1>}	H(C[6]C[6]N[6])	119.8912	0.372	12	119.8912	0.139	12	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|I<1>}	H(C[6]C[6]N[6])	119.6284	0.268	10	119.8217	0.140	38	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|I<1>}	H(C[6]C[6]N[6])	119.8621	0.316	12	119.8217	0.140	38	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,2|I<1>}	H(C[6]C[6]N[6])	119.9122	0.441	16	119.8217	0.140	38	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]Ir)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Ir)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CH3){1|Ir<6>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.2670	0.155	4	119.2332	0.024	5	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]Ir)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Ir)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CH3){1|Ir<8>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.0980	0.000	1	119.2332	0.024	5	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCCH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCCH){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	119.4210	0.000	1	119.4210	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	119.6065	0.217	2	119.5427	0.028	4	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<4>,2|N<3>}	H(C[6]C[6]N[6])	119.4790	0.141	2	119.5427	0.028	4	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6])	119.7635	0.115	2	119.6514	0.029	7	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	119.6066	0.178	5	119.6514	0.029	7	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	119.5750	0.000	1	119.5806	0.075	20	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6])	119.5620	0.000	1	119.5806	0.075	20	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	119.5820	0.290	18	119.5806	0.075	20	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N[5])(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N[5])(N[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	120.7500	0.000	1	120.7500	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N[5])(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N[5])(N[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	120.1610	0.000	1	120.1455	0.000	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N[5])(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N[5])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<3>}	H(C[6]C[6]N[6])	120.1300	0.000	1	120.1455	0.000	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	120.7200	0.000	1	120.7200	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]Ni)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Ni)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|Ni<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.0920	0.000	1	119.0920	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	119.7277	0.080	6	119.7277	0.006	6	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	119.1828	0.457	5	119.0949	0.162	7	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]O)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	118.8750	0.045	2	119.0949	0.162	7	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]Pd)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Pd)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|Pd<4>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.9660	0.000	1	119.9660	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]Rh)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Rh)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(CH3){1|Rh<6>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.6700	0.000	1	119.6700	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]S)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]S)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6])	118.8430	0.123	2	118.8430	0.015	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|N<2>,4|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<2>,2|C<3>}	H(C[6]C[6]N[6])	117.7390	0.000	1	117.7390	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	117.5080	0.000	1	117.5080	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	118.5100	0.000	1	119.4062	0.254	5	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|Ni<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	H(C[6]C[6]N[6])	119.6303	0.061	4	119.4062	0.254	5	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[4,6]H)(N[6]C[6]C)(H)	N[6](C[6]C[4,6]O)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]N[4,6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[4,6]O)(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6])	118.8180	0.000	1	118.8180	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[5,6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]N[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6])	119.5320	0.000	1	119.5320	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6])	119.8222	0.293	4	119.8222	0.086	4	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6])	120.5890	0.000	1	120.4175	0.059	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	120.2460	0.000	1	120.4175	0.059	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]B[5,6]B[5])(C[6]C[6]H)(CCCH)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<4>,2|B<4>}	N[6](C[6]B[5,6]B[5])(C[6]C[6]H)(CCCH){1|C<3>,1|H<1>,1|N<3>,4|O<2>}	H(C[6]C[6]N[6])	119.5515	0.194	2	119.5515	0.038	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	120.0470	0.000	1	120.0470	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(CCCH)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CCCH){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3690	0.000	1	119.3690	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6])	118.9850	0.000	1	118.9850	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)(C[6]C[6]S)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|S<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(CCHH){1|N<2>,2|H<1>}	H(C[6]C[6]N[6])	119.6870	0.000	1	119.6870	0.000	1	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	H(C[6]C[6]N[6])	120.0750	0.322	2	120.0750	0.104	2	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6])	120.6312	0.171	4	120.5887	0.040	6	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|N<2>,2|H<1>}	H(C[6]C[6]N[6])	120.5035	0.299	2	120.5887	0.040	6	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	H(C[6]C[6]N[6])	120.2225	0.015	2	120.6696	0.264	19	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6])	120.4520	0.000	1	120.6696	0.264	19	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6]N[6])	121.1330	0.297	3	120.6696	0.264	19	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|N<2>,2|H<1>}	H(C[6]C[6]N[6])	120.6817	0.547	12	120.6696	0.264	19	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	120.2460	0.000	1	120.6696	0.264	19	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]N)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CH3)	H(C[6]C[6]N[6])	C[6](C[6]N[6]N)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6]N[6])	120.5903	0.117	3	120.5903	0.014	3	119.3953	1.482	3118	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	N[6](C[6]C[6]H)2(PCCS)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(PCCS){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.9443	0.115	4	118.9443	0.013	4	119.0850	0.237	39	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	N[6](C[6]C[6]H)2(PC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(PC[6a]OO){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.6083	0.223	6	118.6083	0.050	6	119.0850	0.237	39	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	N[6](C[6]C[6]H)2(PN[6]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(PN[6]OO){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.8514	0.246	7	119.1877	0.259	11	119.0850	0.237	39	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	N[6](C[6]C[6]H)2(PN[6]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(PN[6]OO){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.7763	0.133	4	119.1877	0.259	11	119.0850	0.237	39	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	N[6](C[6]C[6]H)2(PN[6]SS)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(PN[6]SS){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.7222	0.141	6	118.7222	0.020	6	119.0850	0.237	39	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	N[6](C[6]C[6]H)2(PS3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(PS3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.4576	0.427	12	119.4576	0.183	12	119.0850	0.237	39	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[4,6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]H)2(SCOO)	H(C[6]C[6]N[6])	C[6](C[6]C[4,6]H)(N[6]C[6]S)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(SCOO){1|C<4>,2|H<1>}	H(C[6]C[6]N[6])	119.2930	0.170	2	119.2930	0.029	2	118.2475	4.187	20	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]H)2(SCOO)	H(C[6]C[6]N[6])	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(SCOO){1|C<4>,2|H<1>}	H(C[6]C[6]N[6])	119.1520	0.038	2	119.1520	0.001	2	118.2475	4.187	20	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[6]C[6]N[6])	118.4860	0.129	3	118.4860	0.017	3	118.2475	4.187	20	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)	N[6](C[6]C[6]H)2(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]S)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(SC[6a]OO){1|H<1>,2|C<4>}	H(C[6]C[6]N[6])	118.1055	0.149	2	118.1055	0.022	2	118.2475	4.187	20	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|N<2>}	N[6](C[6]C[6]H)(C[6]C[6]N)(SC[6a]OO){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	110.7010	0.000	1	110.7010	0.000	1	118.2475	4.187	20	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[6]C[6]N[6])	118.8900	0.000	1	118.8900	0.000	1	118.2475	4.187	20	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]H)(C[6]O[6]C)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|O<2>,2|H<1>}	N[6](C[6]C[6]H)(C[6]O[6]C)(SC[6a]OO){1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.4180	0.000	1	119.4180	0.000	1	118.2475	4.187	20	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]H)2(SCOO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(SCOO){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.4590	0.161	2	119.4590	0.026	2	118.2475	4.187	20	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]H)2(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]S)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(SC[6a]OO){1|C<4>,2|H<1>}	H(C[6]C[6]N[6])	118.6115	0.019	2	118.6977	0.027	4	118.2475	4.187	20	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]H)2(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]S)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(SC[6a]OO){1|H<1>,2|C<4>}	H(C[6]C[6]N[6])	118.7840	0.228	2	118.6977	0.027	4	118.2475	4.187	20	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H)	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H){1|C<4>,4|C<3>}	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6])	116.8360	2.976	2	116.8360	8.854	2	118.2475	4.187	20	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]N[6])	119.1070	0.247	2	119.1070	0.061	2	119.1070	0.061	2	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:B-4:	C[6]-3:	C[6](N[6]C[5a,6]B)(C[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(BH3)	H(C[6]C[6]N[6])	C[6](N[6]C[5a,6]B)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(BH3){1|Rh<5>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.3260	0.000	1	118.3260	0.000	1	118.3260	0.000	1	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5a,6]C)(C[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](N[6]C[5a,6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6])	119.0600	0.000	1	119.0600	0.000	1	119.0600	0.000	1	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6])	119.7798	0.020	4	119.7798	0.000	4	119.7798	0.000	4	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:B-4:	C[6]-3:	C[6](N[6]C[6,6a]B)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BC[6a]3)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]B)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BC[6a]3){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.0000	0.000	1	118.0000	0.000	1	117.7725	0.187	4	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:B-4:	C[6]-3:	C[6](N[6]C[6,6a]B)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BN3)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]B)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(BN3){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.2640	0.000	1	118.2640	0.000	1	117.7725	0.187	4	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:B-4:	C[6]-3:	C[6](N[6]C[6,6a]B)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(BC[6a]3)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]B)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(BC[6a]3){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]N[6])	117.4130	0.093	2	117.4130	0.009	2	117.7725	0.187	4	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]B)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]B)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|B<3>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.4000	0.000	1	118.4000	0.000	1	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(CCHH){1|N<2>,4|C<3>}	H(C[6]C[6]N[6])	117.0550	0.000	1	117.0550	0.000	1	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|F<1>,4|C<3>}	H(C[6]C[6]N[6])	117.2670	0.000	1	117.4726	0.138	21	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|H<1>,4|C<3>}	H(C[6]C[6]N[6])	117.4829	0.377	20	117.4726	0.138	21	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6])	117.9125	0.023	2	118.1497	0.169	3	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.6240	0.000	1	118.1497	0.169	3	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<2>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.0480	0.018	3	119.0480	0.000	3	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|O<2>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH){4|C<3>}	H(C[6]C[6]N[6])	117.1614	0.277	5	117.4129	0.243	8	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|S<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH){4|C<3>}	H(C[6]C[6]N[6])	118.0885	0.398	2	117.4129	0.243	8	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|S<2>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(CCHH){4|C<3>}	H(C[6]C[6]N[6])	117.3190	0.000	1	117.4129	0.243	8	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.0470	0.000	1	119.0470	0.000	1	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(CCHH){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6])	119.3625	0.169	2	119.3625	0.029	2	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.6590	0.000	1	118.6590	0.000	1	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	115.6770	0.000	1	118.5893	0.609	22	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.9053	0.241	15	118.5893	0.609	22	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|Ir<8>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.4630	0.000	1	118.5893	0.609	22	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.2488	0.592	5	118.5893	0.609	22	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]N[6])	116.8002	1.263	5	118.5397	1.370	22	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]HH){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.0514	0.419	17	118.5397	1.370	22	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.3352	1.393	5	118.6709	0.536	32	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|B<3>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.6780	0.000	1	118.6709	0.536	32	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]N[6])	118.5007	0.541	3	118.6709	0.536	32	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.8628	0.441	12	118.6709	0.536	32	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|Os<6>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.5201	0.856	7	118.6709	0.536	32	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|Pd<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.2620	0.000	1	118.6709	0.536	32	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.7857	0.203	3	118.6709	0.536	32	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCHH){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]N[6])	118.5685	0.159	2	118.5685	0.025	2	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]N[6])	118.6820	0.000	1	118.6820	0.000	1	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6])	118.8520	0.183	3	118.8520	0.034	3	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(H){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[6]N[6])	116.4530	0.000	1	116.4530	0.000	1	118.3294	0.829	124	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6]-3:	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H)	N[6](C[6]C[6]H)2(GaCl2H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(GaCl2H){1|C<3>,2|C<4>}	H(C[6]C[6]N[6])	114.9410	1.000	2	114.9410	1.000	2	117.6303	4.335	38	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6]-3:	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H)	N[6](C[6]C[6]H)2(GaCl3)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(GaCl3){1|C<3>,2|C<4>}	H(C[6]C[6]N[6])	116.4405	0.590	2	116.4405	0.349	2	117.6303	4.335	38	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6]-3:	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H)	N[6](C[6]C[6]H)2(GaH3)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(GaH3){1|C<3>,2|C<4>}	H(C[6]C[6]N[6])	118.6055	0.432	4	118.6055	0.187	4	117.6303	4.335	38	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6]-3:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(GaBr3)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(GaBr3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	116.0755	0.187	2	118.2711	1.897	8	117.6303	4.335	38	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6]-3:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(GaBr3)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(GaBr3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0030	0.278	6	118.2711	1.897	8	117.6303	4.335	38	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6]-3:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(GaCCO)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(GaCCO){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.7280	0.327	2	118.7280	0.107	2	117.6303	4.335	38	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6]-3:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(GaCl2H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(GaCl2H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	115.1520	0.264	2	114.6794	1.919	8	117.6303	4.335	38	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6]-3:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(GaCl2H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(GaCl2H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	114.2045	1.491	2	114.6794	1.919	8	117.6303	4.335	38	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6]-3:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(GaCl2H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(GaCl2H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	114.6805	1.847	4	114.6794	1.919	8	117.6303	4.335	38	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6]-3:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(GaCl3)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(GaCl3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.1630	0.229	2	119.1102	0.022	6	117.6303	4.335	38	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6]-3:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(GaCl3)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)2(GaCl3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0838	0.128	4	119.1102	0.022	6	117.6303	4.335	38	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6]-3:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(GaI3)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(GaI3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0650	0.143	2	119.0650	0.020	2	117.6303	4.335	38	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6]-3:	C[6](N[6]C[6]Ga)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(GaCl3)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Ga)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(GaCl3){1|N<3>,2|H<1>}	H(C[6]C[6]N[6])	119.7120	0.297	2	119.7120	0.088	2	117.6303	4.335	38	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Ga-4:	C[6]-3:	C[6](N[6]C[6]Ga)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)2(GaI3)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Ga)(C[6]N[6]H)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(GaI3){1|N<2>,2|H<1>}	H(C[6]C[6]N[6])	119.7465	0.342	2	119.7465	0.117	2	117.6303	4.335	38	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:In-4:	C[6]-3:	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(InCCO)	H(C[6]C[6]N[6])	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(InCCO){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.4640	0.000	1	118.4640	0.000	1	118.4740	0.335	8	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:In-4:	C[6]-3:	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(InN3)	H(C[6]C[6]N[6])	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(InN3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.2460	0.000	1	119.2460	0.000	1	118.4740	0.335	8	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:In-4:	C[6]-3:	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(InBr3)	H(C[6]C[6]N[6])	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(InBr3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.9475	0.070	2	118.9475	0.005	2	118.4740	0.335	8	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:In-4:	C[6]-3:	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(InC[6a]3)	H(C[6]C[6]N[6])	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(InC[6a]3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	117.8905	0.097	2	117.8905	0.009	2	118.4740	0.335	8	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:In-4:	C[6]-3:	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(InClWW)	H(C[6]C[6]N[6])	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(InClWW){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.2030	0.679	2	118.2030	0.461	2	118.4740	0.335	8	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Si-4:	C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]C)(H)	N[6](C[6]C[6]H)2(SiBrCH)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Si)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(SiBrCH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	118.1590	0.000	1	118.1590	0.000	1	118.3484	0.679	12	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Si-4:	C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(SiBrCH)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(SiBrCH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	118.8460	0.000	1	118.9120	0.004	3	118.3484	0.679	12	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Si-4:	C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(SiBrCH)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)2(SiBrCH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.9450	0.049	2	118.9120	0.004	3	118.3484	0.679	12	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Si-4:	C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(SiC3)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(SiC3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3490	0.130	2	119.3490	0.017	2	118.3484	0.679	12	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Si-4:	C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(SiCCW)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(SiCCW){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	117.5045	0.722	4	117.5045	0.522	4	118.3484	0.679	12	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Si-4:	C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(SiSi2N)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(SiSi2N){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.2850	0.167	2	118.2850	0.028	2	118.3484	0.679	12	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(N[6]B[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH)	H(C[6]N[6]2)	C[6](N[6]C[6,6a]C)(N[6]B[6]C)(H){1|F<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH){1|B<4>,1|C<4>,1|F<1>,2|C<3>}	H(C[6]N[6]2)	116.8285	0.434	4	116.8285	0.188	4	117.4836	0.825	11	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(N[6]C[6]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH)	H(C[6]N[6]2)	C[6](N[6]C[6,6a]C)(N[6]C[6]2)(H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH){1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[6]2)	119.8730	0.000	1	119.8730	0.000	1	117.4836	0.825	11	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)2(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(CCCH)	H(C[6]N[6]2)	C[6](N[6]C[6,6a]C)2(H){3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6]2)	117.5828	0.257	4	117.5828	0.066	4	117.4836	0.825	11	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)2(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(CC[6a]HH)	H(C[6]N[6]2)	C[6](N[6]C[6,6a]C)2(H){3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6]2)	117.4010	0.092	2	117.4010	0.008	2	117.4836	0.825	11	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]B[3x6]C)(N[6]C[6]C)(H)	N[6](C[6]N[6]H)(C[6]O[6]O)(CCCH)	H(C[6]N[6]2)	C[6](N[6]B[3x6]C)(N[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>}	N[6](C[6]N[6]H)(C[6]O[6]O)(CCCH){1|B<4>,1|C<4>}	H(C[6]N[6]2)	118.5420	0.532	2	118.5420	0.283	2	117.8990	0.646	4	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]B[6]C)(N[6]C[6]C)(H)	N[6](C[6]N[6]C)(C[6]N[6]H)(CCCH)	H(C[6]N[6]2)	C[6](N[6]B[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,2|C<3>}	N[6](C[6]N[6]C)(C[6]N[6]H)(CCCH){1|B<4>,1|C<4>}	H(C[6]N[6]2)	117.2940	0.000	1	117.2940	0.000	1	117.8990	0.646	4	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]B[6]C)(N[6]C[6]C)(H)	N[6](C[6]N[6]H)(C[6]N[6]N)(CCCH)	H(C[6]N[6]2)	C[6](N[6]B[6]C)(N[6]C[6]C)(H){1|N<2>,1|N<3>,2|C<3>}	N[6](C[6]N[6]H)(C[6]N[6]N)(CCCH){1|B<4>,2|C<4>}	H(C[6]N[6]2)	117.2180	0.000	1	117.2180	0.000	1	117.8990	0.646	4	119.2592	1.586	3696	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:5:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-5:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(BCuH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BCuH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.7143	0.170	3	118.7143	0.029	3	118.2097	2.042	7	118.7418	1.304	17	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:5:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-5:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(BIrH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(BIrH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.4520	0.000	1	118.4520	0.000	1	118.2097	2.042	7	118.7418	1.304	17	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:5:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-5:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(BMnH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(BMnH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.1340	0.000	1	119.1340	0.000	1	118.2097	2.042	7	118.7418	1.304	17	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:5:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-5:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(BRhH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(BRhH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	115.0090	0.000	1	115.0090	0.000	1	118.2097	2.042	7	118.7418	1.304	17	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:5:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-5:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6]H)(C[6]C[6]N)(BRuH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(BRuH3){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.7300	0.000	1	118.7300	0.000	1	118.2097	2.042	7	118.7418	1.304	17	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:5:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-5:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CFe3C)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(CFe3C){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.9680	0.780	4	118.9680	0.609	4	119.3818	0.777	6	118.7418	1.304	17	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:5:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-5:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CFe3C)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)2(CFe3C){1|N<2>,2|H<1>}	H(C[6]C[6]N[6])	120.2095	0.067	2	120.2095	0.005	2	119.3818	0.777	6	118.7418	1.304	17	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:5:	3:	N[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:B-5:	C[6]-3:	C[6](N[6]C[5a,6]B)(C[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(BRhH3)	H(C[6]C[6]N[6])	C[6](N[6]C[5a,6]B)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(BRhH3){1|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.0970	0.000	1	119.0970	0.000	1	119.0970	0.000	1	118.7418	1.304	17	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:5:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:In-5:	C[6]-3:	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(InCl3O)	H(C[6]C[6]N[6])	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(InCl3O){1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.3580	0.000	1	118.3580	0.000	1	118.3580	0.000	1	118.7418	1.304	17	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:5:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Nb-5:	C[6]-3:	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(NbO4)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(NbO4){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.6985	0.098	2	118.6985	0.010	2	118.6985	0.010	2	118.7418	1.304	17	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:6:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Ga-6:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ga)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(GaN[6]N4)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Ga)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(GaN[6]N4){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6])	118.5980	0.512	3	118.5980	0.262	3	118.5980	0.262	3	118.5024	0.163	20	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:6:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Ga-6:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]Ga)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(GaN[6]N4)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]Ga)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(GaN[6]N4){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	118.6183	0.407	3	118.6183	0.166	3	118.6183	0.166	3	118.5024	0.163	20	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:6:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:As-6:	C[6]-3:	C[6](N[6]C[6]As)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(AsN5)	H(C[6]C[6]N[6])	C[6](N[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)2(AsN5){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.7385	0.046	2	118.7385	0.002	2	118.7385	0.002	2	118.5024	0.163	20	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:6:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:In-6:	C[6]-3:	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(InN[6]N4)	H(C[6]C[6]N[6])	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(InN[6]N4){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.9015	0.095	2	118.9015	0.009	2	118.9015	0.009	2	118.5024	0.163	20	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:6:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Nb-6:	C[6]-3:	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(NbCl2NOO)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(NbCl2NOO){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.0435	0.395	2	118.0435	0.156	2	118.2600	0.141	9	118.5024	0.163	20	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:6:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Nb-6:	C[6]-3:	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(NbCl3OO)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(NbCl3OO){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	117.9455	0.617	2	117.9455	0.381	2	118.2600	0.141	9	118.5024	0.163	20	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:6:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Nb-6:	C[6]-3:	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(NbCl4O)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(NbCl4O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.4540	0.159	3	118.4540	0.025	3	118.2600	0.141	9	118.5024	0.163	20	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:6:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Nb-6:	C[6]-3:	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(NbClO4)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(NbClO4){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.5000	0.144	2	118.5000	0.021	2	118.2600	0.141	9	118.5024	0.163	20	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:3:6:	3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Si-6:	C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](C[6]C[6]H)2(SiF5)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(SiF5){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.7780	0.000	1	118.7780	0.000	1	118.7780	0.000	1	118.5024	0.163	20	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:1:	3:	C[5,6]-3:N[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]H)(H)	N[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	H(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|H<1>,3|C<3>}	H(C[6]C[5,6]N[6])	119.6030	0.000	1	119.6030	0.000	1	119.6030	0.000	1	118.7975	1.298	2	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:1:	3:	C[6,6]-3:N[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(H)	N[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]N[6])	117.9920	0.000	1	117.9920	0.000	1	117.9920	0.000	1	118.7975	1.298	2	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:2:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:B[6]-4:N-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]N)(H)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(NC)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]N)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(NC){2|C<3>}	H(C[6]C[6,6a]N[6])	118.7330	0.000	1	118.7330	0.000	1	118.6385	0.018	2	118.6385	0.018	2	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:2:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:B[6]-4:N-2:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]B[6]N)(H)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(NC)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]B[6]N)(H){1|O<2>,2|F<1>,3|C<3>}	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(NC){2|C<3>}	H(C[6]C[6,6a]N[6])	118.5440	0.000	1	118.5440	0.000	1	118.6385	0.018	2	118.6385	0.018	2	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-4:C[5]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]HH)(C[5]C[5]2)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]HH)(C[5]C[5]2){1|H<1>,2|O<1>,5|C<3>}	H(C[6]C[6,6a]N[6])	118.6280	0.000	1	118.6280	0.000	1	118.6280	0.000	1	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:Ga[6]-4:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Ga[6])(H)	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Ga[6])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(C[6a]C[6a]2){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6])	116.4750	0.000	1	116.4750	0.000	1	116.4750	0.000	1	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6a]B[6])(H)	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6a]B[6])(H){1|O<2>,2|F<1>,5|C<3>}	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	H(C[6]C[6]N[6])	117.9840	0.000	1	117.9840	0.000	1	117.9840	0.000	1	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H)	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H){2|H<1>,4|C<3>}	H(C[6]C[6]N[6])	118.9930	0.000	1	118.9930	0.000	1	118.9930	0.000	1	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:C[6]-3:H-1:	C[5a,6]-3:B[5a]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[5a,6]B[5a])(C[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6]O[5a])(B[5a]C[6a]O[5a]2)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|O<2>}	N[6](C[5a,6]C[5a,6]O[5a])(B[5a]C[6a]O[5a]2)(C[6]C[6]H){1|B<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6]N[6])	118.9850	0.000	1	118.9850	0.000	1	118.9850	0.000	1	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[3]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H){1|F<1>,4|C<3>,4|H<1>}	H(C[6]C[6]N[6])	117.3000	0.024	2	117.8036	0.278	11	117.8036	0.278	11	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[3]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H){4|C<3>,5|H<1>}	H(C[6]C[6]N[6])	117.9126	0.555	8	117.8036	0.278	11	117.8036	0.278	11	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[3]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(C[6]C[6]H){4|C<3>,5|H<1>}	H(C[6]C[6]N[6])	117.9390	0.000	1	117.8036	0.278	11	117.8036	0.278	11	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:In[4]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6a]In[4])(C[6]C[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(In[4]Se[4,6]Se[4]Cl)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]In[4])(C[6]C[6]H)(H){1|Cl<1>,1|Se<2>,1|Se<3>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(In[4]Se[4,6]Se[4]Cl)(C[6]C[6]H){1|In<4>,1|In<6>,1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]N[6])	119.0760	0.000	1	119.0760	0.000	1	119.0760	0.000	1	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:In[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6a]In[6])(C[6]C[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(In[6]Se[4,6]Se[6]Cl)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]In[6])(C[6]C[6]H)(H){1|Cl<1>,1|Se<2>,1|Se<3>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(In[6]Se[4,6]Se[6]Cl)(C[6]C[6]H){1|In<4>,1|In<5>,1|In<6>,1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]N[6])	119.7350	0.000	1	119.7350	0.000	1	119.7350	0.000	1	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(H)	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(H){1|O<2>,2|F<1>,3|C<3>}	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H){3|C<3>,3|H<1>}	H(C[6]C[6]N[6])	116.2260	0.000	1	116.2260	0.000	1	116.2260	0.000	1	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	117.4140	0.000	1	117.4140	0.000	1	117.8114	0.287	8	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6])	116.9120	0.000	1	116.9120	0.000	1	117.8114	0.287	8	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6])	117.7780	0.000	1	117.7780	0.000	1	117.8114	0.287	8	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6])	117.7380	0.000	1	117.6630	0.011	2	117.8114	0.287	8	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6])	117.5880	0.000	1	117.6630	0.011	2	117.8114	0.287	8	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,1|N<2>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.6070	0.000	1	118.6070	0.000	1	117.8114	0.287	8	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6])	118.1740	0.000	1	118.1740	0.000	1	117.8114	0.287	8	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]N)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]N)(H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6])	118.2800	0.000	1	118.2800	0.000	1	117.8114	0.287	8	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]N[6]H)	H(C[6]N[6]2)	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]N[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]N[6]2)	117.0790	0.000	1	117.0790	0.000	1	117.0790	0.000	1	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	H(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){2|C<3>,2|H<1>,4|C<4>}	H(C[6]N[6]2)	117.9020	0.309	3	117.9020	0.096	3	117.6573	0.370	17	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6]Pd)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	H(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6]Pd)(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){1|Pd<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]N[6]2)	116.5120	0.000	1	116.5120	0.000	1	117.6573	0.370	17	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H)	H(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(H){2|C<4>,3|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]N[6]2)	116.5350	0.000	1	116.5350	0.000	1	117.6573	0.370	17	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	H(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]N[6]2)	117.4570	0.000	1	117.8165	0.266	11	117.6573	0.370	17	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	H(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]N[6]2)	116.6340	0.000	1	117.8165	0.266	11	117.6573	0.370	17	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	H(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(H){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]N[6]2)	117.6833	0.025	3	117.8165	0.266	11	117.6573	0.370	17	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	H(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(H){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	H(C[6]N[6]2)	118.1525	0.093	2	117.8165	0.266	11	117.6573	0.370	17	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	H(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(H){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]N[6]2)	118.0030	0.341	3	117.8165	0.266	11	117.6573	0.370	17	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])2(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	H(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(H){2|C<4>,3|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]N[6]2)	118.5270	0.000	1	117.8165	0.266	11	117.6573	0.370	17	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:3:	3:	N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])2(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]H)	H(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]N[6]2)	117.4390	0.000	1	117.4390	0.000	1	117.6573	0.370	17	117.8152	0.562	45	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:4:	3:	C[5,6,6]-3:N[6]-3:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(N[6]C[6]S)(H)	N[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,6,6]N[6])	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(N[6]C[6]S)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[6]C[5,6,6]N[6])	119.7130	0.000	1	119.7130	0.000	1	119.7130	0.000	1	117.8906	2.567	32	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:4:	3:	C[6,6]-3:N[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6]C[3x6]C[6])(N[6]C[6]C)(H)	N[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]N[6])	C[6](C[6,6]C[3x6]C[6])(N[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]N[6])	117.2540	0.000	1	117.2540	0.000	1	117.2540	0.000	1	117.8906	2.567	32	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:4:	3:	C[6,6]-3:N[6]-3:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)	N[6](C[6]C[6,6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]N[6])	117.9500	0.000	1	117.9500	0.000	1	117.9500	0.000	1	117.8906	2.567	32	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:B[6,6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6,6]C)(H)	N[6](C[6]C[6,6a]H)(B[6,6]O[6]3)(CCHH)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6,6]C)(H){1|H<1>,2|C<3>,3|O<2>}	N[6](C[6]C[6,6a]H)(B[6,6]O[6]3)(CCHH){1|B<3>,1|B<4>,2|C<3>}	H(C[6]C[6,6a]N[6])	119.2470	0.122	2	119.2470	0.015	2	119.2470	0.015	2	117.8906	2.567	32	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:B[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CCHH){2|C<3>}	H(C[6]C[6,6a]N[6])	118.9171	0.254	7	118.9171	0.065	7	118.9663	0.047	12	117.8906	2.567	32	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:B[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]CH)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]CH){2|C<3>}	H(C[6]C[6,6a]N[6])	119.1925	0.052	2	119.1925	0.003	2	118.9663	0.047	12	117.8906	2.567	32	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:B[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]HH)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CC[6a]HH){2|C<3>}	H(C[6]C[6,6a]N[6])	118.9370	0.000	1	118.9370	0.000	1	118.9663	0.047	12	117.8906	2.567	32	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:B[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CH3)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(CH3){2|C<3>}	H(C[6]C[6,6a]N[6])	118.9660	0.000	1	118.9660	0.000	1	118.9663	0.047	12	117.8906	2.567	32	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:B[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	N[6](C[6]C[6,6a]H)(B[6]O[6]OO)(CCHH)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|H<1>,2|C<3>,3|O<2>}	N[6](C[6]C[6,6a]H)(B[6]O[6]OO)(CCHH){2|C<3>}	H(C[6]C[6,6a]N[6])	118.8880	0.000	1	118.8880	0.000	1	118.9663	0.047	12	117.8906	2.567	32	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:B[6]-4:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C[6])(H)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(C[6]C[6]2H)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6])	118.7055	0.450	2	118.7055	0.203	2	118.7055	0.203	2	117.8906	2.567	32	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[5]-4:B[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C[5])(H)	N[6](C[6]C[6,6a]H)(C[5]C[5]2Fe)(B[6]O[6]FF)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C[5])(H){1|Fe<10>,1|H<1>,1|O<2>,2|C<3>,2|C<4>,2|F<1>}	N[6](C[6]C[6,6a]H)(C[5]C[5]2Fe)(B[6]O[6]FF){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6])	120.1230	0.000	1	120.1230	0.000	1	120.1230	0.000	1	117.8906	2.567	32	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CCCH)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CCCH){1|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6])	118.6820	0.000	1	118.6820	0.000	1	118.3045	0.285	2	117.8906	2.567	32	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]CH)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]CH){1|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6])	117.9270	0.000	1	117.9270	0.000	1	118.3045	0.285	2	117.8906	2.567	32	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:Ga[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6]C)(H)	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(CCHH)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(CCHH){2|C<3>}	H(C[6]C[6,6a]N[6])	117.2570	0.000	1	117.2570	0.000	1	117.2570	0.000	1	117.8906	2.567	32	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:In[6]-4:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6])(H)	N[6](C[6]C[6,6a]H)(In[6]O[6]CC)(C[6]C[6]2H)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	N[6](C[6]C[6,6a]H)(In[6]O[6]CC)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6])	115.5803	0.500	7	115.5658	0.196	9	115.5658	0.196	9	117.8906	2.567	32	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-3:In[6]-4:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6])(H)	N[6](C[6]C[6,6a]H)(In[6]O[6]CC)(C[6]C[6]2H)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	N[6](C[6]C[6,6a]H)(In[6]O[6]CC)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]N[6])	115.5150	0.242	2	115.5658	0.196	9	115.5658	0.196	9	117.8906	2.567	32	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	3:5:3:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:Si-5:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6a]Si)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(SiC[6a]Cl3)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]Si)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(SiC[6a]Cl3)(C[6]C[6]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]N[6])	118.9850	0.000	1	118.9850	0.000	1	118.9850	0.000	1	118.9850	0.000	1	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(H){1|C<3>,2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|N<3>}	H(C[6]C[6]N[6])	119.6450	0.000	1	119.6450	0.000	1	119.6450	0.000	1	118.7966	1.975	14	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	H(C[6]C[6]N[6])	114.7170	0.000	1	114.7170	0.000	1	118.1457	8.846	3	118.7966	1.975	14	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]N[6]CaO)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Ca<10>,1|O<3>,2|N<3>}	N[6](C[6]N[6]CaO)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	120.0320	0.000	1	119.8600	0.059	2	118.1457	8.846	3	118.7966	1.975	14	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]N[6]CaO)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Ca<8>,1|O<3>,2|N<3>}	N[6](C[6]N[6]CaO)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	119.6880	0.000	1	119.8600	0.059	2	118.1457	8.846	3	118.7966	1.975	14	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6a]N[6])(N[6]C[6]O)(H)	N[6](C[6]N[6]CC)(C[6]C[6]H)(O)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]N[6])(N[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>}	N[6](C[6]N[6]CC)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6])	119.7845	0.230	4	119.7845	0.053	4	119.7845	0.053	4	118.7966	1.975	14	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6]P[6,6])(N[6]C[5,6]H)(H)	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[5,6]P[6,6])(N[6]C[5,6]H)(H){1|Rh<4>,1|H<1>,6|C<4>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(H){1|P<4>,2|H<1>,4|C<4>}	H(C[6]N[6]2)	118.5730	0.047	2	118.5730	0.002	2	118.5730	0.002	2	118.7966	1.975	14	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]HH)(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	H(C[6]N[6]2)	118.5510	0.000	1	118.5510	0.000	1	118.1965	0.127	4	118.7966	1.975	14	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]HO)(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6,6a]HO)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	H(C[6]N[6]2)	118.3990	0.000	1	118.3990	0.000	1	118.1965	0.127	4	118.7966	1.975	14	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]HH)(C[6]N[6]H)(H)	H(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]H)(H){2|C<4>,2|H<1>}	H(C[6]N[6]2)	117.9180	0.243	2	117.9180	0.059	2	118.1965	0.127	4	118.7966	1.975	14	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6,6]-3:N[6]-3:H-1:	C[6]-4:B[5a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[3x6]C[6])(N[6]B[5a]C[6])(H)	N[6](C[6]C[6,6]C[6]H)(B[5a]N[5a]2)(C[6]C[6,6]H)	H(C[6]C[6,6]N[6])	C[6](C[6,6]C[3x6]C[6])(N[6]B[5a]C[6])(H){1|C<3>,2|C<4>,3|H<1>,3|N<3>}	N[6](C[6]C[6,6]C[6]H)(B[5a]N[5a]2)(C[6]C[6,6]H){1|H<1>,1|N<3>,2|C<4>,6|C<3>}	H(C[6]C[6,6]N[6])	118.6767	0.133	3	118.6767	0.018	3	118.6767	0.018	3	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6,6a]-3:N[6]-3:H-1:	B[3x6]-4:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[3x6]C[6a])(H)	N[6](B[3x6]C[6,6]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[3x6]C[6a])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	N[6](B[3x6]C[6,6]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>,6|C<4>}	H(C[6]C[6,6a]N[6])	119.4540	0.000	1	119.4540	0.000	1	119.4540	0.000	1	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6,6a]-3:N[6]-3:H-1:	B[5,6]-4:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5,6]C[6a])(H)	N[6](B[5,6]C[5,6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5,6]C[6a])(H){1|H<1>,1|O<2>,6|C<3>}	N[6](B[5,6]C[5,6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	H(C[6]C[6,6a]N[6])	118.6325	0.523	2	118.6325	0.273	2	118.6325	0.273	2	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6,6a]-3:N[6]-3:H-1:	B[5a,6]-4:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5a,6]C[6a])(H)	N[6](B[5a,6]O[5a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5a,6]C[6a])(H){1|H<1>,3|O<2>,4|C<3>}	N[6](B[5a,6]O[5a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|C<4>,6|C<3>}	H(C[6]C[6,6a]N[6])	118.8430	0.000	1	118.8430	0.000	1	118.8430	0.000	1	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6,6a]-3:N[6]-3:H-1:	B[6]-4:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H)	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]B[6])(H){1|H<1>,1|O<2>,6|C<3>}	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	H(C[6]C[6,6a]N[6])	118.8410	0.480	5	118.8410	0.230	5	118.8410	0.230	5	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CCC)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|N<3>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CCC){5|C<3>}	H(C[6]C[6,6a]N[6])	119.0620	0.000	1	119.0620	0.000	1	119.0620	0.000	1	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H){1|N<3>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	H(C[6]C[6,6a]N[6])	118.6700	0.000	1	118.6700	0.000	1	118.6700	0.000	1	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BB[4x3,3x5,12x6]N[6]H)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](BB[4x3,3x5,12x6]N[6]H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.2870	0.072	4	118.2870	0.005	4	118.7040	0.287	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[5a]C[6a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](BC[5a]C[6a]2)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.9430	0.027	2	118.9430	0.001	2	118.7040	0.287	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6]N[6]H)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](BC[6]N[6]H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.7231	0.255	8	118.7231	0.065	8	118.7040	0.287	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]2B[5])(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](BC[6a]2B[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.8015	0.175	2	118.8015	0.031	2	118.7040	0.287	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]2C[5])(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](BC[6a]2C[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.0430	0.086	2	118.6531	0.158	9	118.7040	0.287	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]2C[5])(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](BC[6a]2C[5])(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.8274	0.222	7	118.6531	0.158	9	118.7040	0.287	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]2Cl)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](BC[6a]2Cl)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.9569	0.223	7	118.9569	0.050	7	118.7040	0.287	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]2N[5a])(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](BC[6a]2N[5a])(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.0210	0.042	2	118.0210	0.002	2	118.7040	0.287	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]C[5]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](BC[6a]C[5]2)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.2585	0.043	2	119.2585	0.002	2	118.7040	0.287	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]C[5]C)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](BC[6a]C[5]C)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.9450	0.093	2	118.9450	0.009	2	118.7040	0.287	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](BC[6a]ClC)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	N[6](BC[6a]ClC)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.6343	0.966	10	118.6343	0.934	10	118.7040	0.287	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](CB[3x3,3x5,12x6]HH)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](CB[3x3,3x5,12x6]HH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.5855	0.009	2	119.5855	0.000	2	118.8918	4.518	18	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](CC[3x3,3x5,12x6]HH)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](CC[3x3,3x5,12x6]HH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	116.3378	1.712	6	116.3378	2.931	6	118.8918	4.518	18	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](CC[6a]C[5]H)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](CC[6a]C[5]H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.5810	0.585	2	119.5810	0.343	2	118.8918	4.518	18	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](CN[3x6]HH)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](CN[3x6]HH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	120.4615	0.386	8	120.4615	0.149	8	118.8918	4.518	18	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[5a]C[6])(N[6]C[5]C[6])(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[6]C[6]N[6])	C[6](C[6]C[5a]C[6])(N[6]C[5]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>,2|O<2>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6])	120.7830	0.000	1	120.7830	0.000	1	120.7830	0.000	1	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6,6]F)(N[6]C[6,6]C)(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6]F)(N[6]C[6,6]C)(H){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	H(C[6]C[6]N[6])	119.9980	0.000	1	119.9980	0.000	1	119.4390	0.625	2	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6,6]H)(N[6]C[6,6]C)(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6]H)(N[6]C[6,6]C)(H){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	H(C[6]C[6]N[6])	118.8800	0.000	1	118.8800	0.000	1	119.4390	0.625	2	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:B[5]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]B[5])(N[6]B[5]C[6])(H)	N[6](C[6]C[6,6a]HH)(B[5]O[5]2)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]B[5])(N[6]B[5]C[6])(H){2|C<3>,2|H<1>,4|O<2>}	N[6](C[6]C[6,6a]HH)(B[5]O[5]2)(C[6]C[6]H){1|B<3>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6])	117.9910	0.000	1	117.9910	0.000	1	118.7397	0.420	3	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:B[5]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]B[5]C[6])(H)	N[6](C[6]C[6,6a]C[6]H)(B[5]O[5]2)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]B[5]C[6])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	N[6](C[6]C[6,6a]C[6]H)(B[5]O[5]2)(C[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.1140	0.011	2	119.1140	0.000	2	118.7397	0.420	3	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:B-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(BC[6a]2)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]B)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(BC[6a]2){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.6140	0.000	1	118.6140	0.000	1	118.6140	0.000	1	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]C[6a])(N[6]C[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO){3|C<3>}	H(C[6]C[6]N[6])	118.4955	0.172	2	118.4955	0.030	2	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]CC)(C[6]C[6]H)(CC[6a]O)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<2>,1|C<4>,2|C<3>}	N[6](C[6]C[6,6a]CC)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.7710	0.000	1	119.7710	0.000	1	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CC[6a]O)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<2>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.5740	0.000	1	119.5740	0.000	1	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.2770	1.090	2	119.2770	1.189	2	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(CCO)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(CCO){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.3350	0.000	1	119.3350	0.000	1	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(COO)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]N[6])	119.4430	0.509	3	119.4430	0.259	3	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(CCO)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(CCO){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.6570	0.000	1	119.6570	0.000	1	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]H)(COO)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|C<2>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]H)(COO){1|H<1>,4|C<3>}	H(C[6]C[6]N[6])	118.6900	0.000	1	118.6900	0.000	1	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(COO)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(COO){1|H<1>,4|C<3>}	H(C[6]C[6]N[6])	119.1695	0.494	2	119.1695	0.244	2	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	116.3130	0.000	1	116.3130	0.000	1	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O){1|Si<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6])	118.3170	0.000	1	118.3170	0.000	1	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6])	115.9583	1.915	3	115.9583	3.667	3	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCC)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCC){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.1880	0.000	1	119.1880	0.000	1	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|W<7>,2|H<1>}	H(C[6]C[6]N[6])	116.3190	5.286	2	118.2386	10.364	5	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|W<7>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|W<7>,2|H<1>}	H(C[6]C[6]N[6])	119.5183	0.783	3	118.2386	10.364	5	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N){1|C<3>,3|H<1>}	H(C[6]C[6]N[6])	117.5620	0.000	1	117.5620	0.000	1	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|C<3>,3|H<1>}	H(C[6]C[6]N[6])	118.3460	0.000	1	118.3460	0.000	1	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCC)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCC){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.1560	0.000	1	119.1560	0.000	1	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O){2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	116.5715	0.380	2	116.5715	0.144	2	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N)	H(C[6]C[6]N[6])	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N){1|C<3>,1|I<1>,2|H<1>}	H(C[6]C[6]N[6])	118.6965	0.306	2	118.6965	0.094	2	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]Si)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]Si)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|Si<4>,1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	116.7930	0.000	1	116.7930	0.000	1	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	118.9460	0.000	1	118.9460	0.000	1	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	H(C[6]C[6]N[6])	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6])	119.7000	0.000	1	119.7000	0.000	1	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6])	120.9310	0.000	1	120.4643	0.193	3	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	H(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6])	120.2310	0.242	2	120.4643	0.193	3	118.5410	2.998	38	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]B[5x3,5x5,21x6]C[6]H)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|B<6>,1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]B[5x3,5x5,21x6]C[6]H)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|C<6>,4|B<6>,4|H<1>}	H(C[6]C[6]N[6])	119.6415	0.459	2	119.6415	0.211	2	118.1786	14.529	7	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6])	119.1010	0.092	2	119.5932	0.329	4	118.1786	14.529	7	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]H)2{1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6])	120.0855	0.090	2	119.5932	0.329	4	118.1786	14.529	7	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]O[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(C[6]N[6]2)	H(C[6]C[6]N[6])	C[6](C[6]O[6]H)(N[6]C[6]2)(H){1|C<4>,2|H<1>,2|N<2>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(C[6]N[6]2){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6])	109.5940	0.000	1	109.5940	0.000	1	118.1786	14.529	7	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[6]N)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(NCC)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[6]N)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	119.5430	0.000	1	119.5430	0.000	1	119.5430	0.000	1	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:H-1:	P-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	N[6](PC[6a]Se2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,2|H<1>}	N[6](PC[6a]Se2)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.4420	0.259	2	119.4420	0.067	2	119.4420	0.067	2	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[3a]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[3a]C[6])(C[6]C[6]H)(H)	N[6](B[3a]C[3a]2C[6a])(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[3a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	N[6](B[3a]C[3a]2C[6a])(C[6]C[6]H)2{2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	118.1350	0.028	2	118.1350	0.001	2	118.1350	0.001	2	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[3x6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	N[6](B[3x6]C[3x6]C[6,6]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	N[6](B[3x6]C[3x6]C[6,6]2)(C[6]C[6]H)2{1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6]N[6])	115.7960	0.885	2	115.7960	0.784	2	118.7626	2.805	10	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[3x6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	N[6](B[3x6]C[6,6,6a]C[6,6]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	N[6](B[3x6]C[6,6,6a]C[6,6]2)(C[6]C[6]H)2{4|H<1>,5|C<3>}	H(C[6]C[6]N[6])	120.0540	0.506	2	120.0540	0.256	2	118.7626	2.805	10	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[3x6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2{1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[6]N[6])	118.8895	0.108	2	119.3210	0.280	6	118.7626	2.805	10	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[3x6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2{1|C<2>,1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6])	119.9805	0.151	2	119.3210	0.280	6	118.7626	2.805	10	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[3x6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	N[6](B[3x6]C[6,6]3)(C[6]C[6]H)2{4|H<1>,5|C<3>}	H(C[6]C[6]N[6])	119.0930	0.130	2	119.3210	0.280	6	118.7626	2.805	10	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[3x6a]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[3x6a]C[6])(C[6]C[6]H)(H)	N[6](B[3x6a]C[3x6a]3)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[3x6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	N[6](B[3x6a]C[3x6a]3)(C[6]C[6]H)2{2|H<1>,7|C<3>}	H(C[6]C[6]N[6])	118.2747	0.075	4	118.2747	0.006	4	118.2747	0.006	4	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]C[5,6a]2C[6a])(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	N[6](B[5]C[5,6a]2C[6a])(C[6]C[6]H)2{2|H<1>,7|C<3>}	H(C[6]C[6]N[6])	118.8783	0.184	6	118.8783	0.034	6	118.8858	0.103	33	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]C[5,6a]2N)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6](B[5]C[5,6a]2N)(C[6]C[6]H)2{2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	118.9060	0.205	2	119.0029	0.036	10	118.8858	0.103	33	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]C[5,6a]2N)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,3|C<3>}	N[6](B[5]C[5,6a]2N)(C[6]C[6]H)2{2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	119.0271	0.193	8	119.0029	0.036	10	118.8858	0.103	33	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]C[5,6a]C[5,6]C)(C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	N[6](B[5]C[5,6a]C[5,6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6])	118.3300	0.000	1	118.3300	0.000	1	118.8858	0.103	33	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]C[5]2Cl)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	N[6](B[5]C[5]2Cl)(C[6]C[6]H)2{2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	118.9850	0.163	2	118.9850	0.026	2	118.8858	0.103	33	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]C[5]2N[6])(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](B[5]C[5]2N[6])(C[6]C[6]H)2{2|H<1>,7|C<3>}	H(C[6]C[6]N[6])	118.9000	0.124	2	118.9000	0.015	2	118.8858	0.103	33	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]C[5]3)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](B[5]C[5]3)(C[6]C[6]H)2{1|Mn<8>,2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	118.2695	0.156	2	118.2695	0.024	2	118.8858	0.103	33	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]C[5a]C[5]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	N[6](B[5]C[5a]C[5]2)(C[6]C[6]H)2{1|S<2>,2|H<1>,6|C<3>}	H(C[6]C[6]N[6])	118.3170	0.130	2	118.3170	0.017	2	118.8858	0.103	33	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]C[6a]C[5]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	N[6](B[5]C[6a]C[5]2)(C[6]C[6]H)2{2|H<1>,7|C<3>}	H(C[6]C[6]N[6])	118.9700	0.413	2	118.9688	0.064	4	118.8858	0.103	33	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]C[6a]C[5]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	N[6](B[5]C[6a]C[5]2)(C[6]C[6]H)2{2|Si<4>,2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	118.9675	0.149	2	118.9688	0.064	4	118.8858	0.103	33	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	N[6](B[5]N[6]O[5]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	N[6](B[5]N[6]O[5]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.1962	0.286	4	119.1962	0.082	4	118.8858	0.103	33	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[5a]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	N[6](B[5a]C[6a]O[5a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	N[6](B[5a]C[6a]O[5a]2)(C[6]C[6]H)2{2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	119.1943	0.051	3	118.9938	0.098	5	117.5818	4.536	15	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[5a]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	N[6](B[5a]C[6a]O[5a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|H<1>,2|O<2>,3|C<3>}	N[6](B[5a]C[6a]O[5a]2)(C[6]C[6]H)2{2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	118.6930	0.291	2	118.9938	0.098	5	117.5818	4.536	15	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[5a]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	N[6](B[5a]O[5a]2C)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	N[6](B[5a]O[5a]2C)(C[6]C[6]H)2{2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	115.3453	1.612	6	116.8758	5.352	10	117.5818	4.536	15	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[5a]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	N[6](B[5a]O[5a]2C)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	N[6](B[5a]O[5a]2C)(C[6]C[6]H)2{2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.1715	0.114	4	116.8758	5.352	10	117.5818	4.536	15	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H)	N[6](B[6,6]C[6,6,6a]C[6,6a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	N[6](B[6,6]C[6,6,6a]C[6,6a]2)(C[6]C[6]H)2{2|H<1>,7|C<3>}	H(C[6]C[6]N[6])	118.8000	0.171	12	118.8000	0.029	12	118.6099	0.158	18	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H)	N[6](B[6,6]C[6,6]2C)(C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,4|C<4>}	N[6](B[6,6]C[6,6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]N[6])	117.8770	0.038	2	117.8770	0.001	2	118.6099	0.158	18	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H)	N[6](B[6,6]C[6,6]2C)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	N[6](B[6,6]C[6,6]2C)(C[6]C[6]H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]N[6])	118.8010	0.113	2	118.8010	0.013	2	118.6099	0.158	18	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H)	N[6](B[6,6]C[6,6]2H)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6](B[6,6]C[6,6]2H)(C[6]C[6]H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]N[6])	118.0115	0.237	2	118.0115	0.056	2	118.6099	0.158	18	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	N[6](B[6]C[5,6]2C[6a])(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6](B[6]C[5,6]2C[6a])(C[6]C[6]H)2{2|Fe<10>,2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6]N[6])	118.1105	0.081	2	118.5083	0.155	6	118.5599	0.261	15	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	N[6](B[6]C[5,6]2C[6a])(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|C<4>}	N[6](B[6]C[5,6]2C[6a])(C[6]C[6]H)2{2|Fe<10>,2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6]N[6])	118.7073	0.312	4	118.5083	0.155	6	118.5599	0.261	15	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	N[6](B[6]C[6,6a]C[5,6]H)(C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	N[6](B[6]C[6,6a]C[5,6]H)(C[6]C[6]C)(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	H(C[6]C[6]N[6])	118.5870	0.000	1	118.5870	0.000	1	118.5599	0.261	15	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	N[6](B[6]C[6]2Cl)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	N[6](B[6]C[6]2Cl)(C[6]C[6]H)2{1|Si<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6])	119.3180	0.198	2	119.3180	0.039	2	118.5599	0.261	15	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	N[6](B[6]C[6]2H)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6](B[6]C[6]2H)(C[6]C[6]H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]N[6])	118.0875	0.022	2	118.0875	0.000	2	118.5599	0.261	15	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	N[6](B[6]C[6a]C[6]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	N[6](B[6]C[6a]C[6]2)(C[6]C[6]H)2{2|H<1>,7|C<3>}	H(C[6]C[6]N[6])	119.0100	0.208	2	119.0100	0.043	2	118.5599	0.261	15	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	N[6](B[6]N[5a,6]2H)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|N<3>}	N[6](B[6]N[5a,6]2H)(C[6]C[6]H)2{2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	117.9655	0.269	2	117.9655	0.073	2	118.5599	0.261	15	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[6a,6a]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[6a,6a]C[6])(C[6]C[6]H)(H)	N[6](B[6a,6a]B[6a,6a]O[6a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[6a,6a]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	N[6](B[6a,6a]B[6a,6a]O[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6]N[6])	117.7527	0.320	4	117.7527	0.102	4	118.2604	0.378	8	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[6a,6a]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[6a,6a]C[6])(C[6]C[6]H)(H)	N[6](B[6a,6a]C[6a,6a]2C[3x6a])(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[6a,6a]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	N[6](B[6a,6a]C[6a,6a]2C[3x6a])(C[6]C[6]H)2{2|H<1>,7|C<3>}	H(C[6]C[6]N[6])	118.7680	0.305	4	118.7680	0.093	4	118.2604	0.378	8	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[6a]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H)	N[6](B[6a]C[6a]O[6a]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|O<2>}	N[6](B[6a]C[6a]O[6a]2)(C[6]C[6]H)2{2|B<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.0080	0.171	2	119.0080	0.029	2	119.2667	0.162	10	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[6a]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H)	N[6](B[6a]O[6a]2N[6])(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	N[6](B[6a]O[6a]2N[6])(C[6]C[6]H)2{2|B<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	119.3314	0.425	8	119.3314	0.180	8	119.2667	0.162	10	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-3:C-3:	C[6]-3:	C[6](N[6]C[4,6]C)(C[6]N[6]H)(H)	N[6](C[4,6]C[4,6]2H)(C[6]C[6]H)(CCO)	H(C[6]C[6]N[6])	C[6](N[6]C[4,6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[4,6]C[4,6]2H)(C[6]C[6]H)(CCO){1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6]N[6])	118.4284	0.592	8	118.4284	0.350	8	118.4284	0.350	8	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[4]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	N[6](C[4]C[4]2C)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6](C[4]C[4]2C)(C[6]C[6]H)2{1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6])	118.8210	0.069	2	118.8210	0.005	2	118.8210	0.005	2	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H)	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(CCO)	H(C[6]C[6]N[6])	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H){1|Fe<10>,1|N<3>,2|C<4>}	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(CCO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6])	117.6810	0.000	1	117.6810	0.000	1	117.6810	0.000	1	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[6]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|O<1>}	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6])	117.8050	0.000	1	117.8050	0.000	1	118.3215	2.600	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[6]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|O<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	H(C[6]C[6]N[6])	114.0300	0.000	1	117.2410	4.609	4	118.3215	2.600	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[6]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|O<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6])	118.3113	0.198	3	117.2410	4.609	4	118.3215	2.600	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6])	114.6550	2.578	2	114.6550	6.647	2	118.3215	2.600	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]F)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[6]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6]C[6]F)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|O<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6])	118.7210	0.000	1	118.7210	0.000	1	118.3215	2.600	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]2H)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	N[6](C[5]C[5]2H)(C[6]C[6]H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]N[6])	120.1060	0.023	2	120.1060	0.001	2	118.3215	2.600	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,1|S<1>,2|C<4>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6])	119.2380	0.000	1	119.2380	0.000	1	118.3215	2.600	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[6]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6])	114.6590	0.000	1	118.7479	0.633	35	118.3215	2.600	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[6]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	H(C[6]C[6]N[6])	118.8473	0.398	25	118.7479	0.633	35	118.3215	2.600	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[6]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6])	118.6560	0.000	1	118.7479	0.633	35	118.3215	2.600	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[6]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]N[6])	119.1440	0.187	2	118.7479	0.633	35	118.3215	2.600	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[6]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6])	118.8666	0.231	5	118.7479	0.633	35	118.3215	2.600	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	H(C[6]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|Os<8>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|Os<8>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6])	119.0570	0.000	1	118.7479	0.633	35	118.3215	2.600	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6])	114.5030	2.345	2	114.5030	5.498	2	118.3215	2.600	48	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]C)(H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6])	118.2800	0.000	1	118.2800	0.000	1	118.2800	0.000	1	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(H){1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,6|C<3>}	H(C[6]C[6]N[6])	123.4840	0.000	1	123.4840	0.000	1	118.6462	7.711	5	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){6|C<3>}	N[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,8|C<3>}	H(C[6]C[6]N[6])	118.0465	0.309	2	118.0465	0.095	2	118.6462	7.711	5	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|C<4>,4|C<3>}	N[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H){4|H<1>,6|C<3>}	H(C[6]C[6]N[6])	116.8890	0.000	1	116.8890	0.000	1	118.6462	7.711	5	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6]N[6])	116.7650	0.000	1	116.7650	0.000	1	118.6462	7.711	5	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Ga-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	N[6](GaC[6a]Cl2)(C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](GaC[6a]Cl2)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.6870	0.000	1	118.6870	0.000	1	118.8993	0.081	3	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Ga-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	N[6](GaC[6a]Cl2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](GaC[6a]Cl2)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0055	0.306	2	119.0055	0.094	2	118.8993	0.081	3	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Ga[3x6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]C)(H)	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]C)(H){1|C<3>,2|H<1>,3|S<2>}	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2{3|Ga<4>,1|C<3>,2|C<4>}	H(C[6]C[6]N[6])	118.5833	0.215	7	118.5833	0.046	7	118.7609	0.186	16	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Ga[3x6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H)	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,3|S<2>}	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2{3|Ga<4>,1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.0143	0.551	4	118.8991	0.264	9	118.7609	0.186	16	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Ga[3x6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H)	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|S<2>}	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2{3|Ga<4>,1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.8070	0.526	5	118.8991	0.264	9	118.7609	0.186	16	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Ga[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H)	N[6](Ga[5]N[5]2I)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|I<1>,2|H<1>,2|N<3>}	N[6](Ga[5]N[5]2I)(C[6]C[6]H)2{2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	119.0335	0.145	2	119.0335	0.021	2	118.9310	0.015	8	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Ga[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H)	N[6](Ga[5]N[5]2P)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|P<2>,2|H<1>,2|N<3>}	N[6](Ga[5]N[5]2P)(C[6]C[6]H)2{2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	118.8968	0.107	6	118.8968	0.011	6	118.9310	0.015	8	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Ga[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Ga[6,6]C[6])(C[6]C[6]H)(H)	N[6](Ga[6,6]S[6,6]S[6]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Ga[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|S<2>}	N[6](Ga[6,6]S[6,6]S[6]2)(C[6]C[6]H)2{3|Ga<4>,1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.2755	0.190	2	118.2755	0.036	2	118.2755	0.036	2	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H)	N[6](Ga[6]S[6]2Br)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H){1|Br<1>,1|C<3>,2|H<1>,2|S<2>}	N[6](Ga[6]S[6]2Br)(C[6]C[6]H)2{2|Ga<4>,1|C<3>,2|C<4>}	H(C[6]C[6]N[6])	118.9240	0.087	6	118.9240	0.008	6	118.3291	1.460	37	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H)	N[6](Ga[6]S[6]2Cl)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H){1|Cl<1>,1|C<3>,2|H<1>,2|S<2>}	N[6](Ga[6]S[6]2Cl)(C[6]C[6]H)2{2|Ga<4>,1|C<3>,2|C<4>}	H(C[6]C[6]N[6])	115.7962	0.863	6	115.7962	0.745	6	118.3291	1.460	37	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H)	N[6](Ga[6]Se[6]2Br)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H){1|Br<1>,2|Se<2>,1|C<3>,2|H<1>}	N[6](Ga[6]Se[6]2Br)(C[6]C[6]H)2{2|Ga<4>,1|C<3>,2|C<4>}	H(C[6]C[6]N[6])	118.9277	0.106	12	118.9277	0.011	12	118.3291	1.460	37	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	N[6](Ga[6]C[6]2Cl)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	N[6](Ga[6]C[6]2Cl)(C[6]C[6]H)2{2|Si<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.8465	0.139	2	118.8465	0.019	2	118.3291	1.460	37	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	N[6](Ga[6]N[6]2P)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|P<2>,2|H<1>,2|N<3>}	N[6](Ga[6]N[6]2P)(C[6]C[6]H)2{2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	118.7920	0.088	2	118.7920	0.008	2	118.3291	1.460	37	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	N[6](Ga[6]N[6]S[6]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|N<3>,2|S<2>}	N[6](Ga[6]N[6]S[6]2)(C[6]C[6]H)2{2|Ga<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.2488	0.529	4	118.2488	0.280	4	118.3291	1.460	37	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	N[6](Ga[6]S[6]2Br)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|S<2>}	N[6](Ga[6]S[6]2Br)(C[6]C[6]H)2{2|Ga<4>,1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.8904	0.281	5	118.8904	0.079	5	118.3291	1.460	37	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6]C[6a]C[6])(H)	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]Ga[6])(C[6]C[6a]C[6])(H){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,5|C<3>}	H(C[6]C[6]N[6])	116.3520	0.349	2	116.3520	0.122	2	116.3520	0.122	2	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Ge[4,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(H)	N[6](Ge[4,6]As[4]2N[6])(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(H){2|As<2>,1|H<1>,1|N<3>,2|C<3>}	N[6](Ge[4,6]As[4]2N[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Ge<4>,1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6]N[6])	116.9273	0.206	4	116.9273	0.042	4	116.9273	0.042	4	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	In-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	N[6](InC[6a]II)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](InC[6a]II)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3360	0.626	2	119.3360	0.392	2	119.3360	0.392	2	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	In[6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]In[6]C[6])(C[6]C[6]H)(H)	N[6](In[6]C[6]2C)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]In[6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](In[6]C[6]2C)(C[6]C[6]H)2{2|Si<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.5105	0.185	2	118.5105	0.034	2	118.5105	0.034	2	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	In[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H)	N[6](In[6]In[6]N[6]Cl)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H){1|Cl<1>,1|In<4>,1|H<1>,1|N<3>,4|C<3>}	N[6](In[6]In[6]N[6]Cl)(C[6a]C[6a]2)(C[6]C[6]H){1|Cl<1>,2|C<4>,2|N<3>,5|C<3>}	H(C[6]C[6]N[6])	115.5595	0.246	6	115.5595	0.060	6	115.6952	0.085	12	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	In[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H)	N[6](In[6]N[6]ClS)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H){1|Cl<1>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	N[6](In[6]N[6]ClS)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,5|C<3>}	H(C[6]C[6]N[6])	115.8102	0.335	4	115.8102	0.112	4	115.6952	0.085	12	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	In[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H)	N[6](In[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,2|N<3>,4|C<3>}	N[6](In[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,5|C<3>}	H(C[6]C[6]N[6])	115.8720	0.272	2	115.8720	0.074	2	115.6952	0.085	12	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Si-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](SiC[6a]2C)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](SiC[6a]2C)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.2565	0.244	2	118.2565	0.060	2	118.4742	0.422	9	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Si-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](SiC[6a]2W)(C[6]C[6]H)(C[6]C[6]S)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	N[6](SiC[6a]2W)(C[6]C[6]H)(C[6]C[6]S){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.7620	0.000	1	118.7620	0.000	1	118.4742	0.422	9	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Si-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](SiC[6a]2W)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](SiC[6a]2W)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.0905	0.011	2	118.7115	0.861	4	118.4742	0.422	9	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Si-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](SiC[6a]2W)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](SiC[6a]2W)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.3325	1.020	2	118.7115	0.861	4	118.4742	0.422	9	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Si-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](SiC[6a]CoH)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](SiC[6a]CoH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.0735	0.071	2	118.0735	0.005	2	118.4742	0.422	9	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Si[4]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(H)	N[6](Si[4]N[4]2W)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|W<6>,3|N<3>}	N[6](Si[4]N[4]2W)(C[6]C[6]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6])	118.4000	0.167	2	118.4000	0.028	2	118.4000	0.028	2	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Si[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Si[5]C[6])(C[6]C[6]H)(H)	N[6](Si[5]C[5]2O)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Si[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[6](Si[5]C[5]2O)(C[6]C[6]H)2{2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	118.3190	0.065	2	118.3190	0.004	2	118.3190	0.004	2	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Si[6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H)	N[6](Si[6]N[6]2O)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|N<3>}	N[6](Si[6]N[6]2O)(C[6]C[6]H)2{2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	118.3780	0.000	1	118.4007	0.001	3	118.3374	0.009	5	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Si[6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H)	N[6](Si[6]N[6]2O)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|N<3>}	N[6](Si[6]N[6]2O)(C[6]C[6]H)2{2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	118.4120	0.047	2	118.4007	0.001	3	118.3374	0.009	5	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Si[6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H)	N[6](Si[6]N[6]2P)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<3>,3|N<3>}	N[6](Si[6]N[6]2P)(C[6]C[6]H)2{2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	118.2425	0.040	2	118.2425	0.002	2	118.3374	0.009	5	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(H)	N[6](Si[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](Si[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6])	117.3960	0.000	1	117.3960	0.000	1	117.3960	0.000	1	118.4648	1.842	422	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6,6]-3:N[6]-3:H-1:	B[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(N[6]B[6]C)(H)	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6]H)(CC[6a]HH)	H(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6])(N[6]B[6]C)(H){1|C<2>,1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<2>}	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6]H)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]N[6])	118.4670	0.000	1	118.4670	0.000	1	118.4670	0.000	1	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6,6]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(N[6]C[5,6]C)(H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CC[6a]HH)	H(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6])(N[6]C[5,6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6])	117.3650	0.103	6	117.3650	0.011	6	116.8565	0.937	8	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6,6]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(N[6]C[5,6]C)(H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CH3)	H(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6])(N[6]C[5,6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6])	115.3310	0.550	2	115.3310	0.303	2	116.8565	0.937	8	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	B[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6a]H)(CC[6a]HH)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	N[6](B[6]C[6,6]O[6]F)(C[6]C[6,6a]H)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]N[6])	116.2440	0.000	1	116.2440	0.000	1	118.3551	1.676	7	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	B[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|H<1>,2|O<2>,3|C<3>}	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CCHH){4|C<3>}	H(C[6]C[6,6a]N[6])	118.3165	0.904	4	118.3165	0.817	4	118.3551	1.676	7	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	B[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H)	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CC[6a]HH)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(H){1|H<1>,2|O<2>,3|C<3>}	N[6](B[6]C[6a]O[6]O)(C[6]C[6,6a]H)(CC[6a]HH){4|C<3>}	H(C[6]C[6,6a]N[6])	120.0260	0.000	1	120.0260	0.000	1	118.3551	1.676	7	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	B[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]B[6]C)(H)	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCCH)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]B[6]C)(H){1|O<2>,5|C<3>}	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(CCCH){6|C<3>}	H(C[6]C[6,6a]N[6])	118.9500	0.000	1	118.9500	0.000	1	118.3551	1.676	7	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CC[6a]HH)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CC[6a]HH){4|C<3>}	H(C[6]C[6,6a]N[6])	118.9060	0.000	1	118.9060	0.000	1	118.9060	0.000	1	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6,6a]H)(N[6]C[5,6]S)(H)	N[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]H)(N[6]C[5,6]S)(H){2|C<3>,2|O<2>}	N[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]H)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6])	118.8690	0.000	1	118.8690	0.000	1	118.8690	0.000	1	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H){2|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6])	117.8640	0.000	1	117.8640	0.000	1	118.9865	0.564	4	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6]N)(N[6]C[6,6]C)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6]N)(N[6]C[6,6]C)(H){1|C<3>,2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	H(C[6]C[6]N[6])	119.3225	0.056	2	119.3225	0.003	2	118.9865	0.564	4	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6]N)(N[6]C[6,6]C)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6]N)(N[6]C[6,6]C)(H){1|C<3>,2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>,2|N<3>}	H(C[6]C[6]N[6])	119.4370	0.000	1	119.4370	0.000	1	118.9865	0.564	4	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6,6]H)(N[6]C[6,6]S)(H)	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6]H)(N[6]C[6,6]S)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]H)(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.5700	0.000	1	118.5700	0.000	1	118.5700	0.000	1	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3){1|C<4>,4|C<3>}	H(C[6]C[6]N[6])	117.6400	0.000	1	117.6400	0.000	1	118.5715	1.168	28	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	117.9415	0.087	2	117.9415	0.008	2	118.5715	1.168	28	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	118.5580	0.110	2	118.5580	0.012	2	118.5715	1.168	28	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6])	118.3490	0.000	1	118.3490	0.000	1	118.5715	1.168	28	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	H(C[6]C[6]N[6])	117.8583	0.052	3	117.8583	0.003	3	118.5715	1.168	28	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CC[6a]2H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CC[6a]2H){1|C<4>,4|C<3>}	H(C[6]C[6]N[6])	117.8550	0.034	2	117.8550	0.001	2	118.5715	1.168	28	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>}	N[6](C[6]C[6]CC)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>}	H(C[6]C[6]N[6])	117.6140	0.000	1	117.6140	0.000	1	118.5715	1.168	28	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,3|H<1>}	H(C[6]C[6]N[6])	116.1340	0.000	1	116.1340	0.000	1	118.5715	1.168	28	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]OU)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|U<12>,1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]OU)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	119.5475	0.478	4	119.6104	0.191	5	118.5715	1.168	28	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]OU)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|U<14>,1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]OU)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	119.8620	0.000	1	119.6104	0.191	5	118.5715	1.168	28	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]YbO)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Yb<14>,1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]YbO)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	119.5993	0.126	3	119.5993	0.016	3	118.5715	1.168	28	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]ZrO)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Zr<16>,1|C<4>,1|H<1>,1|O<2>}	N[6](C[6]C[6]ZrO)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	119.7865	0.092	4	119.7865	0.008	4	118.5715	1.168	28	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6])	117.7830	0.000	1	117.7830	0.000	1	118.5715	1.168	28	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6])	117.3740	0.000	1	117.3740	0.000	1	118.5715	1.168	28	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6])	116.8280	0.000	1	116.8280	0.000	1	118.5715	1.168	28	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H)	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H){2|C<4>,3|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[6]C[6]N[6])	119.0890	0.305	2	117.4110	8.494	3	117.4605	4.479	12	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H)	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H){2|H<1>,3|C<4>}	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,3|C<4>}	H(C[6]C[6]N[6])	114.0550	0.000	1	117.4110	8.494	3	117.4605	4.479	12	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[5,6]C[6a])(N[6]C[6]S)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[5,6]C[6a])(N[6]C[6]S)(H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6])	117.2280	0.000	1	117.2280	0.000	1	117.4605	4.479	12	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]2H)(C[6]C[6]H)(SC[6]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]2H)(C[6]C[6]H)(SC[6]OO){3|C<3>,3|H<1>}	H(C[6]C[6]N[6])	112.4260	0.000	1	112.4260	0.000	1	117.4605	4.479	12	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]S)(N[6]C[6]S)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]S)(N[6]C[6]S)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6])	118.2970	0.000	1	118.2970	0.000	1	117.4605	4.479	12	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6])	117.4140	0.000	1	117.4140	0.000	1	117.4605	4.479	12	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6a]N[6])(N[6]C[6]S)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]N[6])(N[6]C[6]S)(H){1|H<1>,5|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO){1|N<3>,2|C<3>}	H(C[6]C[6]N[6])	118.5340	0.000	1	118.5340	0.000	1	117.4605	4.479	12	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6])	119.1260	0.000	1	119.1260	0.000	1	117.4605	4.479	12	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(SC[6a]OO){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.5110	0.000	1	118.5110	0.000	1	117.4605	4.479	12	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6])	118.5100	0.000	1	118.5100	0.000	1	117.4605	4.479	12	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]N[6]C)(N[6]C[6]S)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]N[6]C)(N[6]C[6]S)(H){1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6])	117.2470	0.000	1	117.2470	0.000	1	117.4605	4.479	12	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	S[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]C)(N[6]S[6]C)(H)	N[6](S[6]C[6,6a]OO)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]C)(N[6]S[6]C)(H){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]H)(CC[6a]HH){1|C<4>,2|C<3>}	H(C[6]C[6]N[6])	117.9520	0.000	1	117.9520	0.000	1	117.9710	0.001	2	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	S[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]S[6]C)(H)	N[6](S[6]N[6]OO)(C[6]C[6]H)(CC[5a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]S[6]C)(H){1|C<4>,1|N<2>,2|O<1>}	N[6](S[6]N[6]OO)(C[6]C[6]H)(CC[5a]HH){2|C<3>}	H(C[6]C[6]N[6])	117.9900	0.000	1	117.9900	0.000	1	117.9710	0.001	2	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:C[6]-3:H-1:	B[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]B[5,6]C)(C[6]N[6]H)(H)	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]H)(CCCH)	H(C[6]C[6]N[6])	C[6](N[6]B[5,6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,2|O<2>}	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]H)(CCCH){1|B<4>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]N[6])	117.9720	0.280	2	117.9720	0.078	2	117.9720	0.078	2	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[4,6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[4,6,6]C)(C[6]C[4x6]H)(H)	N[6](C[4,6,6]C[4,3x6]C[4,4x6]H)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](N[6]C[4,6,6]C)(C[6]C[4x6]H)(H){2|H<1>,3|C<4>}	N[6](C[4,6,6]C[4,3x6]C[4,4x6]H)(C[6]C[6]H)(CC[6a]HH){1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6])	117.6500	0.000	1	117.6500	0.000	1	117.6500	0.000	1	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:S-4:	C[6]-3:	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H)	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H){1|Fe<10>,1|O<1>,2|C<4>}	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6])	118.5910	0.000	1	118.5910	0.000	1	118.6631	0.196	8	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:S-4:	C[6]-3:	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6])	118.6734	0.478	7	118.6734	0.228	7	118.6631	0.196	8	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>}	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6])	117.1820	0.000	1	117.1820	0.000	1	117.1820	0.000	1	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:Si-4:	C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](C[6]C[6]FeH)(C[6]C[6]H)(SiCCN)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|Fe<9>,1|C<4>,2|H<1>}	N[6](C[6]C[6]FeH)(C[6]C[6]H)(SiCCN){1|C<4>,2|H<1>}	H(C[6]C[6]N[6])	118.7260	0.000	3	118.7260	0.000	3	118.3543	0.553	4	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:Si-4:	C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](C[6]C[6]HP)(C[6]C[6]H)(SiFeCC)	H(C[6]C[6]N[6])	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|P<4>}	N[6](C[6]C[6]HP)(C[6]C[6]H)(SiFeCC){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	117.2390	0.000	1	117.2390	0.000	1	118.3543	0.553	4	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	B[3x6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]B[3x6]C)(N[6]C[6]C)(H)	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH)	H(C[6]N[6]2)	C[6](N[6]B[3x6]C)(N[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>}	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH){1|C<3>,2|H<1>,5|C<4>}	H(C[6]N[6]2)	118.5470	0.477	2	118.1418	0.300	4	118.3603	0.295	6	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	B[3x6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]B[3x6]C)(N[6]C[6]C)(H)	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH)	H(C[6]N[6]2)	C[6](N[6]B[3x6]C)(N[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	N[6](B[3x6]C[6,6]2O[6])(C[6]N[6]H)(CCCH){2|H<1>,6|C<4>}	H(C[6]N[6]2)	117.7365	0.122	2	118.1418	0.300	4	118.3603	0.295	6	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	B[3x6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]B[3x6]C)2(H)	N[6](B[3x6]C[6,6]2H[6])(C[6]N[6]H)(CCCH)	H(C[6]N[6]2)	C[6](N[6]B[3x6]C)2(H){1|H<2>,4|C<4>}	N[6](B[3x6]C[6,6]2H[6])(C[6]N[6]H)(CCCH){1|B<4>,2|H<1>,5|C<4>}	H(C[6]N[6]2)	118.7975	0.039	2	118.7975	0.002	2	118.3603	0.295	6	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	B[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]B[6]C)(N[6]C[6]C)(H)	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH)	H(C[6]N[6]2)	C[6](N[6]B[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,2|C<3>}	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH){1|C<4>,5|C<3>}	H(C[6]N[6]2)	117.2440	0.000	1	117.2685	0.001	2	116.9757	0.129	7	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	B[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]B[6]C)(N[6]C[6]C)(H)	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH)	H(C[6]N[6]2)	C[6](N[6]B[6]C)(N[6]C[6]C)(H){1|N<2>,1|N<3>,2|C<3>}	N[6](B[6]C[6a]2N[6])(C[6]N[6]H)(CCCH){2|C<4>,5|C<3>}	H(C[6]N[6]2)	117.2930	0.000	1	117.2685	0.001	2	116.9757	0.129	7	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	B[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]B[6]C)(N[6]C[6]C)(H)	N[6](B[6]C[6a]2O[6])(C[6]N[6]H)(CC3)	H(C[6]N[6]2)	C[6](N[6]B[6]C)(N[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](B[6]C[6a]2O[6])(C[6]N[6]H)(CC3){2|C<4>,4|C<3>}	H(C[6]N[6]2)	116.8390	0.000	1	116.8390	0.000	1	116.9757	0.129	7	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	B[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(N[6]B[6]C)(H)	N[6](B[6]C[6,6a]C[6a]F)(C[6]N[6]H)(CCCH)	H(C[6]N[6]2)	C[6](N[6]C[6,6a]C)(N[6]B[6]C)(H){1|F<1>,3|C<3>}	N[6](B[6]C[6,6a]C[6a]F)(C[6]N[6]H)(CCCH){1|C<4>,4|C<3>}	H(C[6]N[6]2)	116.8635	0.421	4	116.8635	0.178	4	116.9757	0.129	7	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5,6]C)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]N[6]H)(CC[6a]HH)	H(C[6]N[6]2)	C[6](N[6]C[5,6]C)(N[6]C[6]C)(H){1|Fe<10>,1|H<1>,3|C<4>}	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]N[6]H)(CC[6a]HH){1|H<1>,4|C<4>}	H(C[6]N[6]2)	117.1510	0.000	1	117.1510	0.000	1	118.1949	0.138	11	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5,6]C)2(H)	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(CC[6a]HH)	H(C[6]N[6]2)	C[6](N[6]C[5,6]C)2(H){1|H<1>,4|C<4>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(CC[6a]HH){2|H<1>,5|C<4>}	H(C[6]N[6]2)	118.3016	0.171	5	118.3016	0.029	5	118.1949	0.138	11	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5,6]C)2(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]CH)	H(C[6]N[6]2)	C[6](N[6]C[5,6]C)2(H){1|H<1>,4|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]CH){2|H<1>,5|C<4>}	H(C[6]N[6]2)	118.4235	0.009	2	118.4235	0.000	2	118.1949	0.138	11	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5,6]C)2(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]HH)	H(C[6]N[6]2)	C[6](N[6]C[5,6]C)2(H){1|H<1>,4|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]HH){2|H<1>,5|C<4>}	H(C[6]N[6]2)	118.2127	0.059	3	118.2127	0.003	3	118.1949	0.138	11	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]B[3x6]C)(N[6]C[6]C)(H)	N[6](C[6]O[6]HH)(C[6]N[6]H)(CCCH)	H(C[6]N[6]2)	C[6](N[6]B[3x6]C)(N[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]O[6]HH)(C[6]N[6]H)(CCCH){1|B<4>,1|C<4>}	H(C[6]N[6]2)	117.8020	0.079	2	117.8020	0.006	2	117.1193	3.755	32	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]B[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6a]O[6]H)(C[6]N[6]H)(CC3)	H(C[6]N[6]2)	C[6](N[6]B[6]C)(N[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6a]O[6]H)(C[6]N[6]H)(CC3){1|B<4>,1|C<4>,2|C<3>}	H(C[6]N[6]2)	116.8740	0.000	1	116.8740	0.000	1	117.1193	3.755	32	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5,6]C)(N[6]C[6]C)(H)	N[6](C[6]C[5,6]CH)(C[6]N[6]H)(CH3)	H(C[6]N[6]2)	C[6](N[6]C[5,6]C)(N[6]C[6]C)(H){1|Fe<10>,1|H<1>,3|C<4>}	N[6](C[6]C[5,6]CH)(C[6]N[6]H)(CH3){1|Fe<10>,3|C<4>}	H(C[6]N[6]2)	117.1250	0.000	1	117.1250	0.000	1	117.1193	3.755	32	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]Ru)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]HH)(C[6]N[6]H)(CC[6a]HH)	H(C[6]N[6]2)	C[6](N[6]C[6,6a]Ru)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]N[6]H)(CC[6a]HH){1|Ru<9>,2|C<3>}	H(C[6]N[6]2)	115.6040	0.000	1	115.6040	0.000	1	117.1193	3.755	32	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH)	H(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH){1|C<4>,3|H<1>}	H(C[6]N[6]2)	117.8675	0.235	2	117.8675	0.055	2	117.1193	3.755	32	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(H)	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH)	H(C[6]N[6]2)	C[6](N[6]C[6]C)2(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH){2|C<4>,2|H<1>}	H(C[6]N[6]2)	117.2517	0.203	3	117.2517	0.041	3	117.1193	3.755	32	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(H)	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[5a]HH)	H(C[6]N[6]2)	C[6](N[6]C[6]C)2(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[5a]HH){2|C<4>,2|H<1>}	H(C[6]N[6]2)	118.0325	0.054	2	118.0325	0.003	2	117.1193	3.755	32	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(H)	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH)	H(C[6]N[6]2)	C[6](N[6]C[6]C)2(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH){2|C<4>,2|H<1>}	H(C[6]N[6]2)	117.3850	0.235	6	117.3850	0.055	6	117.1193	3.755	32	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(H)	N[6](C[6]N[6]HH)(C[6]N[6]H)(CC[6a]HH)	H(C[6]N[6]2)	C[6](N[6]C[6]C)2(H){1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]H)(CC[6a]HH){3|C<4>}	H(C[6]N[6]2)	117.9155	0.029	2	117.9155	0.001	2	117.1193	3.755	32	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(H)	N[6](C[6]P[6]HH)(C[6]N[6]H)(CC[6a]HH)	H(C[6]N[6]2)	C[6](N[6]C[6]C)2(H){1|P<4>,4|H<1>}	N[6](C[6]P[6]HH)(C[6]N[6]H)(CC[6a]HH){2|Pt<4>,2|C<4>}	H(C[6]N[6]2)	116.0921	3.723	8	116.0921	13.860	8	117.1193	3.755	32	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]Pd)(N[6]C[6]C)(H)	N[6](C[6]C[6]HH)(C[6]N[6]H)(CH3)	H(C[6]N[6]2)	C[6](N[6]C[6]Pd)(N[6]C[6]C)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<4>,2|H<1>}	H(C[6]N[6]2)	116.3630	0.000	1	116.3630	0.000	1	117.1193	3.755	32	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH)	H(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6]2)	118.2200	0.000	1	118.2200	0.000	1	117.1193	3.755	32	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)	N[6](C[6]C[6]HH)(C[6]N[6]H)(CN[6]HH)	H(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]H)(CN[6]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6]2)	117.7975	0.054	2	117.7975	0.003	2	117.1193	3.755	32	117.8833	2.122	137	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:4:3:	3:	N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6]C[6])(C[6]C[6a]C[6])(H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6]C[6])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,4|C<4>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H){2|C<3>,4|C<4>,8|H<1>}	H(C[6]C[6]N[6])	118.0320	0.000	1	117.8950	0.038	2	117.8950	0.038	2	117.7386	1.137	5	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:4:3:	3:	N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6]C[6])(C[6]C[6a]C[6])(H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6]C[6])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,4|C<4>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H){2|C<3>,4|C<4>,9|H<1>}	H(C[6]C[6]N[6])	117.7580	0.000	1	117.8950	0.038	2	117.8950	0.038	2	117.7386	1.137	5	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:4:3:	3:	N[6]-3:N[6]-3:H-1:	C[5,6]-4:P[6,6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[5,6]P[6,6])(N[6]C[5,6]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(P[6,6]C[3x6]2Rh)(C[6]N[6]H)	H(C[6]N[6]2)	C[6](N[6]C[5,6]P[6,6])(N[6]C[5,6]H)(H){1|Rh<4>,1|H<1>,6|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(P[6,6]C[3x6]2Rh)(C[6]N[6]H){2|O<2>,3|H<1>,8|C<4>}	H(C[6]N[6]2)	118.4925	0.095	2	118.4925	0.009	2	118.4925	0.009	2	117.7386	1.137	5	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	4:4:3:	3:	N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6a]C)(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]N[6]H)	H(C[6]N[6]2)	C[6](N[6]C[6,6a]C)(N[6]C[6]2)(H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]N[6]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]N[6]2)	115.9180	0.000	1	115.9180	0.000	1	115.9180	0.000	1	117.7386	1.137	5	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	5:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[3,3,5,3x6]-5:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H)	N[6](B[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,1|C<4>,2|B<6>,2|H<1>}	N[6](B[3,3,5,3x6]B[3x3,5,5,4x6]B[4x3,5,5,4x6]B[5x3,5,5,6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<2>,1|S<4>,3|B<6>,5|H<1>}	H(C[6]C[6]N[6])	117.4900	0.000	1	117.4900	0.000	1	118.5557	0.852	3	118.3129	1.351	47	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	5:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[3,3,5,3x6]-5:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H)	N[6](B[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H){1|C<3>,3|B<6>,3|H<1>}	N[6](B[3,3,5,3x6]B[4x3,5,5,4x6]2B[5x3,5,5,6]H)(C[6]C[6]H)2{1|C<3>,2|H<2>,4|B<6>,5|H<1>}	H(C[6]C[6]N[6])	119.0885	0.013	2	119.0885	0.000	2	118.5557	0.852	3	118.3129	1.351	47	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	5:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[3,3,5,4x6]-5:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Ni)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|Ni<9>,1|B<5>,1|C<3>,2|B<6>,2|H<1>}	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Ni)(C[6]C[6]H)2{1|C<3>,1|C<5>,1|N<3>,3|B<6>,4|H<1>}	H(C[6]C[6]N[6])	119.2270	0.035	2	119.2270	0.001	2	117.7409	2.730	11	118.3129	1.351	47	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	5:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[3,3,5,4x6]-5:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Rh)(C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|Rh<8>,1|C<3>,1|C<4>,1|H<1>,3|B<6>}	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Rh)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,4|B<6>,5|H<1>}	H(C[6]C[6]N[6])	118.2250	0.000	1	118.2250	0.000	1	117.7409	2.730	11	118.3129	1.351	47	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	5:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[3,3,5,4x6]-5:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Rh)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|Rh<8>,1|C<3>,2|H<1>,3|B<6>}	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Rh)(C[6]C[6]H)2{1|C<3>,4|B<6>,5|H<1>}	H(C[6]C[6]N[6])	116.8955	1.084	2	115.9480	2.077	4	117.7409	2.730	11	118.3129	1.351	47	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	5:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[3,3,5,4x6]-5:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Rh)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|Rh<9>,1|C<3>,2|H<1>,3|B<6>}	N[6](B[3,3,5,4x6]B[3x3,5,5,7x6]2B[5x3,5,5,4x6]Rh)(C[6]C[6]H)2{1|C<3>,4|B<6>,5|H<1>}	H(C[6]C[6]N[6])	115.0005	1.210	2	115.9480	2.077	4	117.7409	2.730	11	118.3129	1.351	47	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	5:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[3,3,5,4x6]-5:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	N[6](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,2|H<1>,3|B<6>}	N[6](B[3,3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|H<2>,4|B<6>,5|H<1>}	H(C[6]C[6]N[6])	118.6697	0.193	4	118.6697	0.037	4	117.7409	2.730	11	118.3129	1.351	47	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	5:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[3,3,5,6,6a,6a]-5:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[3,3,5,6,6a,6a]C[6])(C[6]C[6]H)(H)	N[6](B[3,3,5,6,6a,6a]B[3,3,3a,5,5a,6,3x6a]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]H)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[3,3,5,6,6a,6a]C[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,2|B<6>,3|H<1>}	N[6](B[3,3,5,6,6a,6a]B[3,3,3a,5,5a,6,3x6a]B[4x3,5,5,6,3x6a]B[5x3,5,5a,6a]H)(C[6]C[6]H)2{1|C<3>,1|H<2>,1|N<4>,3|B<6>,5|H<1>}	H(C[6]C[6]N[6])	119.0330	0.199	2	119.0330	0.040	2	119.0330	0.040	2	118.3129	1.351	47	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	5:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[3x3,5,5,6,6]-5:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[3x3,5,5,6,6]C[6])(C[6]C[6]H)(H)	N[6](B[3x3,5,5,6,6]B[6x3,3x5,6x6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6])(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[3x3,5,5,6,6]C[6])(C[6]C[6]H)(H){1|B<5>,1|B<7>,1|C<3>,2|B<6>,2|H<1>}	N[6](B[3x3,5,5,6,6]B[6x3,3x5,6x6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6])(C[6]C[6]H)2{1|B<5>,1|B<7>,1|C<3>,2|H<2>,4|B<6>,5|H<1>}	H(C[6]C[6]N[6])	119.2070	0.011	2	119.2070	0.000	2	119.2070	0.000	2	118.3129	1.351	47	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	5:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[3x3,5,5,7x6]-5:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[3x3,5,5,7x6]C[6])(C[6]C[6]H)(H)	N[6](B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]B[3,3,5,4x6])(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[3x3,5,5,7x6]C[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,2|H<1>}	N[6](B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]B[3,3,5,4x6])(C[6]C[6]H)2{1|Ni<9>,1|C<3>,1|C<5>,1|N<3>,3|B<6>,5|H<1>}	H(C[6]C[6]N[6])	119.0445	0.066	2	119.0445	0.004	2	119.0445	0.004	2	118.3129	1.351	47	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	5:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[4x3,4x5,4x6]-5:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[4x3,4x5,4x6]C[6])(C[6]C[6]H)(H)	N[6](B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[4x3,4x5,4x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,4|B<6>}	N[6](B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6]C[6]H)2{1|C<3>,4|B<6>,6|H<1>}	H(C[6]C[6]N[6])	118.7382	0.189	4	118.7382	0.036	4	118.7382	0.036	4	118.3129	1.351	47	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	5:3:3:	3:	N[6]-3:C[6]-3:H-1:	Ga[3x6]-5:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H)	N[6](Ga[3x6]N[5a,6,6]2O[6]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>,2|O<2>}	N[6](Ga[3x6]N[5a,6,6]2O[6]2)(C[6]C[6]H)2{2|H<1>,7|C<3>}	H(C[6]C[6]N[6])	118.6285	0.012	2	118.6285	0.000	2	118.6285	0.000	2	118.3129	1.351	47	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	5:3:3:	3:	N[6]-3:C[6]-3:H-1:	Ga[6]-5:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	N[6](Ga[6]N[6,6]2Cl2)(C[6]C[6]C)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	N[6](Ga[6]N[6,6]2Cl2)(C[6]C[6]C)(C[6]C[6]H){2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	118.3110	0.000	1	118.3110	0.000	1	118.3110	0.000	1	118.3129	1.351	47	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	5:3:3:	3:	N[6]-3:C[6]-3:H-1:	Ge[4x6]-5:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Ge[4x6]C[6])(C[6]C[6]H)(H)	N[6](Ge[4x6]N[5a,6,6]4)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Ge[4x6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,4|N<3>}	N[6](Ge[4x6]N[5a,6,6]4)(C[6]C[6]H)2{2|H<1>,9|C<3>}	H(C[6]C[6]N[6])	118.9920	0.088	2	118.9920	0.008	2	118.9920	0.008	2	118.3129	1.351	47	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	5:3:3:	3:	N[6]-3:C[6]-3:H-1:	In[4,6]-5:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]In[4,6]C[6a])(C[6]C[6a]C[6])(H)	N[6](In[4,6]N[6]O[4]2Cl)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]In[4,6]C[6a])(C[6]C[6a]C[6])(H){1|Cl<1>,1|H<1>,1|N<3>,2|O<3>,4|C<3>}	N[6](In[4,6]N[6]O[4]2Cl)(C[6a]C[6a]2)(C[6]C[6]H){1|In<5>,2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	115.8805	0.070	2	115.8805	0.005	2	115.8805	0.005	2	118.3129	1.351	47	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	5:3:3:	3:	N[6]-3:C[6]-3:H-1:	Nb[5]-5:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Nb[5]C[6])(C[6]C[6]H)(H)	N[6](Nb[5]C[5]N[5]NN)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Nb[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	N[6](Nb[5]C[5]N[5]NN)(C[6]C[6]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6])	118.3760	0.136	2	118.3760	0.018	2	118.3760	0.018	2	118.3129	1.351	47	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	5:3:3:	3:	N[6]-3:C[6]-3:H-1:	Nb[6]-5:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Nb[6]C[6])(C[6]C[6]H)(H)	N[6](Nb[6]N[6]2NO)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Nb[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,3|N<3>}	N[6](Nb[6]N[6]2NO)(C[6]C[6]H)2{2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	117.7525	0.060	2	117.7525	0.004	2	117.7525	0.004	2	118.3129	1.351	47	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	5:3:3:	3:	N[6]-3:C[6]-3:H-1:	Si-5:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](SiN[6]ClCH)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](SiN[6]ClCH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.6115	0.166	4	118.3440	0.125	7	118.3440	0.125	7	118.3129	1.351	47	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	5:3:3:	3:	N[6]-3:C[6]-3:H-1:	Si-5:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](SiN[6]ClCH)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](SiN[6]ClCH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	117.9873	0.026	3	118.3440	0.125	7	118.3440	0.125	7	118.3129	1.351	47	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	5:3:3:	3:	N[6]-3:C[6]-3:H-1:	Si[4]-5:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(H)	N[6](Si[4]N[4,6]C[6a]S[4]N)(C[6]C[6]H)(C[6]C[6]S)	H(C[6]C[6]N[6])	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,1|S<1>,1|S<2>,2|C<3>}	N[6](Si[4]N[4,6]C[6a]S[4]N)(C[6]C[6]H)(C[6]C[6]S){2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	119.7683	0.104	3	119.7683	0.011	3	119.7683	0.011	3	118.3129	1.351	47	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	5:3:3:	3:	N[6]-3:C[6]-3:H-1:	Si[6]-5:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(H)	N[6](Si[6]N[6]Cl2H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(H){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[6](Si[6]N[6]Cl2H)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6]N[6])	117.5415	1.681	2	117.5415	2.825	2	117.5415	2.825	2	118.3129	1.351	47	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	5:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	Ga[6,6]-5:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]C)(H)	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]H)(CCHH)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]C)(H){1|H<1>,1|N<3>,1|N<4>,2|C<3>,2|O<2>}	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]H)(CCHH){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]N[6])	117.2440	0.000	1	117.2440	0.000	1	117.0647	0.037	3	117.0647	0.037	3	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	5:3:4:	3:	C[6,6a]-3:N[6]-3:H-1:	Ga[6,6]-5:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]C)(H)	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6,6a]H)(CC[6a]CH)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	N[6](Ga[6,6]N[6]O[6]2Cl)(C[6]C[6,6a]H)(CC[6a]CH){1|C<4>,4|C<3>}	H(C[6]C[6,6a]N[6])	116.9750	0.158	2	116.9750	0.025	2	117.0647	0.037	3	117.0647	0.037	3	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	6:3:3:	3:	C[6,6a]-3:N[6]-3:H-1:	Nb[6,6]-6:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[6,6]C[6a])(H)	N[6](Nb[6,6]N[6]O[6]2NN)(C[6]C[6,6a]H)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[6,6]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,1|N<4>,2|O<2>,4|C<3>}	N[6](Nb[6,6]N[6]O[6]2NN)(C[6]C[6,6a]H)(C[6a]C[6a]2){1|H<1>,3|C<4>,6|C<3>}	H(C[6]C[6,6a]N[6])	117.1070	0.000	1	117.1070	0.000	1	117.1070	0.000	1	118.4562	1.149	62	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	6:3:3:	3:	C[6,6a]-3:N[6]-3:H-1:	Nb[6]-6:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Nb[6])(H)	N[6](Nb[6]O[6]Cl2OO)(C[6]C[6,6a]H)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Nb[6])(H){2|Cl<1>,1|H<1>,3|O<2>,4|C<3>}	N[6](Nb[6]O[6]Cl2OO)(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6])	115.9880	0.000	1	115.9880	0.000	1	115.9880	0.000	1	118.4562	1.149	62	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	6:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[3,3,5,3x6]-6:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]C)(H)	N[6](B[3,3,5,3x6]B[3x3,5,5,4x6]2B[5x3,5,5,6]RhH)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]C)(H){1|Rh<6>,1|B<5>,1|C<3>,1|H<2>,2|B<6>,2|H<1>}	N[6](B[3,3,5,3x6]B[3x3,5,5,4x6]2B[5x3,5,5,6]RhH)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|S<3>,3|B<6>,4|H<1>}	H(C[6]C[6]N[6])	115.6240	0.000	1	115.6240	0.000	1	114.6415	1.931	2	118.4562	1.149	62	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	6:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[3,3,5,3x6]-6:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H)	N[6](B[3,3,5,3x6]B[3x3,5,5,4x6]2B[5x3,5,5,6]RhH)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H){1|Rh<6>,1|B<5>,1|C<3>,1|H<2>,2|B<6>,2|H<1>}	N[6](B[3,3,5,3x6]B[3x3,5,5,4x6]2B[5x3,5,5,6]RhH)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|S<3>,3|B<6>,4|H<1>}	H(C[6]C[6]N[6])	113.6590	0.000	1	113.6590	0.000	1	114.6415	1.931	2	118.4562	1.149	62	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	6:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[3x3,3x5,12x6]-6:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H)	N[6](B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H){1|Co<10>,1|H<1>,2|C<3>,4|B<6>}	N[6](B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(C[6]C[6]H)2{1|C<3>,2|C<6>,3|B<6>,6|H<1>}	H(C[6]C[6]N[6])	119.2055	0.111	2	119.2055	0.012	2	119.2055	0.012	2	118.4562	1.149	62	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	6:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[3x3,5,4x6]-6:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[3x3,5,4x6]C[6])(C[6]C[6]H)(H)	N[6](B[3x3,5,4x6]B[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]Rh)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[3x3,5,4x6]C[6])(C[6]C[6]H)(H){1|Rh<6>,1|C<3>,1|H<2>,2|H<1>,3|B<6>}	N[6](B[3x3,5,4x6]B[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]Rh)(C[6]C[6]H)2{1|B<5>,1|C<3>,3|B<6>,5|H<1>}	H(C[6]C[6]N[6])	119.3190	0.038	2	117.9853	3.243	4	117.9853	3.243	4	118.4562	1.149	62	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	6:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[3x3,5,4x6]-6:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[3x3,5,4x6]C[6])(C[6]C[6]H)(H)	N[6](B[3x3,5,4x6]B[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]Rh)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[3x3,5,4x6]C[6])(C[6]C[6]H)(H){1|Rh<7>,1|C<3>,1|H<2>,2|H<1>,3|B<6>}	N[6](B[3x3,5,4x6]B[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,5,5,4x6]H[3]Rh)(C[6]C[6]H)2{1|B<5>,1|C<3>,3|B<6>,5|H<1>}	H(C[6]C[6]N[6])	116.6515	1.616	2	117.9853	3.243	4	117.9853	3.243	4	118.4562	1.149	62	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	6:3:3:	3:	N[6]-3:C[6]-3:H-1:	B[5x3,5x5,20x6]-6:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	N[6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,5|B<6>}	N[6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6]C[6]H)2{1|C<3>,5|B<6>,7|H<1>}	H(C[6]C[6]N[6])	117.5678	1.394	4	117.5678	1.944	4	117.5678	1.944	4	118.4562	1.149	62	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	6:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[5x3,5x5,20x6]-6:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	N[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,5|B<6>}	N[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6]C[6]H)2{1|C<3>,5|B<6>,7|H<1>}	H(C[6]C[6]N[6])	119.1915	0.067	4	119.1915	0.005	4	119.1915	0.005	4	118.4562	1.149	62	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	6:3:3:	3:	N[6]-3:C[6]-3:H-1:	Ge[4x6]-6:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Ge[4x6]C[6])(C[6]C[6]H)(H)	N[6](Ge[4x6]N[5a,6,6]4N[6])(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Ge[4x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,5|N<3>}	N[6](Ge[4x6]N[5a,6,6]4N[6])(C[6]C[6]H)2{11|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.5180	0.190	2	118.5180	0.036	2	118.5180	0.036	2	118.4562	1.149	62	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	6:3:3:	3:	N[6]-3:C[6]-3:H-1:	In-6:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	N[6](InN[6]2Br3)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](InN[6]2Br3)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.7967	0.117	3	118.7967	0.014	3	118.9101	0.109	9	118.4562	1.149	62	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	6:3:3:	3:	N[6]-3:C[6]-3:H-1:	In-6:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	N[6](InN[6]2ClNN)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](InN[6]2ClNN)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.9668	0.397	6	118.9668	0.158	6	118.9101	0.109	9	118.4562	1.149	62	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	6:3:3:	3:	N[6]-3:C[6]-3:H-1:	In[3x5]-6:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]In[3x5]C[6])(C[6]C[6]H)(H)	N[6](In[3x5]N[3x5]N[5,6]N[5]2Cl)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]In[3x5]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|N<4>,2|H<1>,3|N<3>}	N[6](In[3x5]N[3x5]N[5,6]N[5]2Cl)(C[6]C[6]H)2{2|H<1>,2|S<4>,3|C<3>,5|C<4>}	H(C[6]C[6]N[6])	118.6550	0.508	2	118.6550	0.258	2	118.6550	0.258	2	118.4562	1.149	62	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	6:3:3:	3:	N[6]-3:C[6]-3:H-1:	In[5]-6:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]In[5]C[6])(C[6]C[6]H)(H)	N[6](In[5]N[6]2O[5]2Cl)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]In[5]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,2|H<1>,2|N<3>,2|O<2>}	N[6](In[5]N[6]2O[5]2Cl)(C[6]C[6]H)2{2|H<1>,7|C<3>}	H(C[6]C[6]N[6])	118.7107	0.203	4	118.7107	0.041	4	118.7107	0.041	4	118.4562	1.149	62	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	6:3:3:	3:	N[6]-3:C[6]-3:H-1:	Nb[3,3]-6:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Nb[3,3]C[6])(C[6]C[6]H)(H)	N[6](Nb[3,3]Nb[3,3,6]O[3]2NN)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Nb[3,3]C[6])(C[6]C[6]H)(H){1|Nb<6>,1|C<3>,1|N<2>,1|N<3>,2|H<1>,2|O<2>}	N[6](Nb[3,3]Nb[3,3,6]O[3]2NN)(C[6]C[6]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6])	118.5435	0.325	2	118.5435	0.105	2	118.5435	0.105	2	118.4562	1.149	62	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	6:3:3:	3:	N[6]-3:C[6]-3:H-1:	Nb[3x6]-6:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Nb[3x6]C[6])(C[6]C[6]H)(H)	N[6](Nb[3x6]N[3x6]N[6,6]2ClN)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Nb[3x6]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|N<2>,2|H<1>,3|N<3>}	N[6](Nb[3x6]N[3x6]N[6,6]2ClN)(C[6]C[6]H)2{2|Si<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.3345	0.359	2	118.3345	0.129	2	118.4640	0.067	4	118.4562	1.149	62	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	6:3:3:	3:	N[6]-3:C[6]-3:H-1:	Nb[3x6]-6:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Nb[3x6]C[6])(C[6]C[6]H)(H)	N[6](Nb[3x6]P[3x6]N[6]3N)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Nb[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|P<4>,2|H<1>,3|N<3>}	N[6](Nb[3x6]P[3x6]N[6]3N)(C[6]C[6]H)2{2|H<1>,3|C<4>,7|C<3>}	H(C[6]C[6]N[6])	118.5935	0.069	2	118.5935	0.005	2	118.4640	0.067	4	118.4562	1.149	62	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	6:3:3:	3:	N[6]-3:C[6]-3:H-1:	Nb[6]-6:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Nb[6]C[6])(C[6]C[6]H)(H)	N[6](Nb[6]N[6]2CCN)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Nb[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|C<2>,2|H<1>,2|N<3>}	N[6](Nb[6]N[6]2CCN)(C[6]C[6]H)2{2|H<1>,5|C<3>}	H(C[6]C[6]N[6])	118.2300	0.066	2	118.2300	0.004	2	118.2300	0.004	2	118.4562	1.149	62	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	6:3:3:	3:	N[6]-3:C[6]-3:H-1:	Si-6:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]C)(H)	N[6](SiN[6]3HH)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6]Si)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](SiN[6]3HH)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	118.6750	0.366	2	118.9193	0.066	6	118.8280	0.093	19	118.4562	1.149	62	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	6:3:3:	3:	N[6]-3:C[6]-3:H-1:	Si-6:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]C)(H)	N[6](SiN[6]3HH)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6]Si)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	N[6](SiN[6]3HH)(C[6]C[6]H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6])	119.0415	0.077	4	118.9193	0.066	6	118.8280	0.093	19	118.4562	1.149	62	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	6:3:3:	3:	N[6]-3:C[6]-3:H-1:	Si-6:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](SiN[6]3HH)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](SiN[6]3HH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.7150	0.251	8	118.8386	0.120	10	118.8280	0.093	19	118.4562	1.149	62	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	6:3:3:	3:	N[6]-3:C[6]-3:H-1:	Si-6:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](SiN[6]3HH)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](SiN[6]3HH)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.3330	0.165	2	118.8386	0.120	10	118.8280	0.093	19	118.4562	1.149	62	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	6:3:3:	3:	N[6]-3:C[6]-3:H-1:	Si-6:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	N[6](SiN[6]Cl3H)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](SiN[6]Cl3H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.6100	0.195	3	118.6100	0.038	3	118.8280	0.093	19	118.4562	1.149	62	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	7:3:3:	3:	N[6]-3:C[6]-3:H-1:	Nb[3x3]-7:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H)	N[6](Nb[3x3]Nb[3x3]Cl[3]3ClN)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|Nb<7>,3|Cl<2>,1|C<3>,1|N<2>,2|H<1>}	N[6](Nb[3x3]Nb[3x3]Cl[3]3ClN)(C[6]C[6]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6])	118.5510	0.602	2	118.5510	0.363	2	118.5288	0.184	12	118.5836	0.175	14	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	7:3:3:	3:	N[6]-3:C[6]-3:H-1:	Nb[3x3]-7:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H)	N[6](Nb[3x3]Nb[3x3]Cl[3]3N[6]N)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H){1|Nb<7>,3|Cl<2>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[6](Nb[3x3]Nb[3x3]Cl[3]3N[6]N)(C[6]C[6]H)2{1|Cl<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.7212	0.318	4	118.7212	0.101	4	118.5288	0.184	12	118.5836	0.175	14	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	7:3:3:	3:	N[6]-3:C[6]-3:H-1:	Nb[3x3]-7:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H)	N[6](Nb[3x3]Nb[3x3]Cl[3]N[3]2Cl2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H){1|Cl<2>,1|Nb<7>,2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	N[6](Nb[3x3]Nb[3x3]Cl[3]N[3]2Cl2)(C[6]C[6]H)2{1|Cl<1>,1|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6])	118.7565	0.383	2	118.7565	0.146	2	118.5288	0.184	12	118.5836	0.175	14	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	7:3:3:	3:	N[6]-3:C[6]-3:H-1:	Nb[3x3]-7:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H)	N[6](Nb[3x3]Nb[3x3]Cl[3]N[3]2N[6]Cl)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|Cl<2>,1|Nb<7>,1|C<3>,2|H<1>,3|N<3>}	N[6](Nb[3x3]Nb[3x3]Cl[3]N[3]2N[6]Cl)(C[6]C[6]H)2{2|Cl<1>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6])	118.2113	0.431	4	118.2113	0.186	4	118.5288	0.184	12	118.5836	0.175	14	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	7:3:3:	3:	N[6]-3:C[6]-3:H-1:	Nb[3x5]-7:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Nb[3x5]C[6])(C[6]C[6]H)(H)	N[6](Nb[3x5]O[5]6)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Nb[3x5]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,6|O<2>}	N[6](Nb[3x5]O[5]6)(C[6]C[6]H)2{2|H<1>,7|C<3>}	H(C[6]C[6]N[6])	118.9130	0.041	2	118.9130	0.002	2	118.9130	0.002	2	118.5836	0.175	14	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:3:1:	8:3:3:	3:	N[6]-3:C[6]-3:H-1:	Nb[3,3,3x6]-8:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]Nb[3,3,3x6]C[6])(C[6]C[6]H)(H)	N[6](Nb[3,3,3x6]N[5,6,6]3C[3,3]2C[3]2)(C[6]C[6]H)2	H(C[6]C[6]N[6])	C[6](N[6]Nb[3,3,3x6]C[6])(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>,3|N<3>}	N[6](Nb[3,3,3x6]N[5,6,6]3C[3,3]2C[3]2)(C[6]C[6]H)2{3|C<4>,3|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6]N[6])	118.4115	0.118	2	118.4115	0.014	2	118.4115	0.014	2	118.4115	0.014	2	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>}	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){3|C<4>,4|H<1>}	H(C[6]C[6]N[6])	121.4140	0.000	1	121.4140	0.000	1	121.4140	0.000	1	121.4140	0.000	1	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	3:4:1:	4:4:3:	3:	N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6]C[6])(C[6]C[6]TaN)(H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6]C[6])(C[6]C[6]TaN)(H){1|C<5>,1|H<1>,1|N<2>,4|C<4>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H){1|Ta<12>,1|N<3>,5|C<4>,8|H<1>}	H(C[6]C[6]N[6])	117.9395	0.721	2	117.9395	0.519	2	117.9395	0.519	2	117.9395	0.519	2	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	4:3:1:	3:2:1:	3:	C[4x6]-4:N[6]-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6]-3:	C[6](C[4x6]C[3x6]C[6,6]2)(N[6]O[6]O)(H)	N[6](C[6]C[4x6]H)(O[6]C[6])(O)	H(C[6]C[4x6]N[6])	C[6](C[4x6]C[3x6]C[6,6]2)(N[6]O[6]O)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	N[6](C[6]C[4x6]H)(O[6]C[6])(O){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[4x6]N[6])	117.6840	0.335	2	117.6840	0.112	2	117.6840	0.112	2	117.6840	0.112	2	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HW)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]HW)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(H){1|C<4>,1|W<7>,2|H<1>}	H(C[6]C[6]N[6])	119.3890	0.000	1	119.3890	0.000	1	119.1960	0.074	2	119.1960	0.074	2	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6a]C[6]Ni)(N[6]C[6]H)(H)	N[6](C[6]C[6]H)2(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]Ni)(N[6]C[6]H)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6]H)2(H){1|Ni<5>,1|C<4>,2|C<3>}	H(C[6]C[6]N[6])	119.0030	0.000	1	119.0030	0.000	1	119.1960	0.074	2	119.1960	0.074	2	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]MoH)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]C[6]MoH)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6])	117.9170	0.000	1	117.9170	0.000	1	117.9170	0.000	1	117.9170	0.000	1	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	4:3:1:	3:4:4:	3:	C[5,6,6]-4:N[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(N[6]C[6]C)(H)	N[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCHH)	H(C[6]C[5,6,6]N[6])	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(N[6]C[6]C)(H){2|C<3>,3|C<4>,6|H<1>}	N[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<4>}	H(C[6]C[5,6,6]N[6])	116.6800	0.000	1	116.6800	0.000	1	116.6800	0.000	1	116.6800	0.000	1	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]TaN)(N[6]C[6]C)(H)	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]TaN)(N[6]C[6]C)(H){1|C<5>,1|N<2>,2|C<4>}	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH){1|Ta<12>,1|C<4>,1|N<3>}	H(C[6]C[6]N[6])	118.1190	0.000	1	118.1190	0.000	1	118.1190	0.000	1	116.1880	7.458	2	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	4:3:1:	4:3:4:	3:	Ga[6]-4:N[6]-3:H-1:	Ga[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](Ga[6]N[6]CC)(N[6]Ga[6]C)(H)	N[6](Ga[6]C[6]CC)(C[6]Ga[6]H)(CH3)	H(C[6]Ga[6]N[6])	C[6](Ga[6]N[6]CC)(N[6]Ga[6]C)(H){1|C<3>,3|C<4>}	N[6](Ga[6]C[6]CC)(C[6]Ga[6]H)(CH3){1|H<1>,1|N<3>,2|C<4>}	H(C[6]Ga[6]N[6])	114.2570	0.000	1	114.2570	0.000	1	114.2570	0.000	1	116.1880	7.458	2	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	4:3:1:	4:4:3:	3:	C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]2)(H){3|C<4>,5|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|B<4>,3|C<4>,7|H<1>}	H(C[6]C[6]N[6])	117.6610	0.209	2	117.6610	0.044	2	117.6610	0.044	2	117.6610	0.044	2	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP2	C[6]	N[6]	H	5:3:1:	3:3:4:	3:	C[6]-5:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]Ru3)(N[6]C[6]C)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6])	C[6](C[6]N[6]Ru3)(N[6]C[6]C)(H){2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){3|Ru<5>,1|C<4>,1|N<3>}	H(C[6]C[6]N[6])	118.2980	0.000	1	118.2980	0.000	1	118.2980	0.000	1	118.2980	0.000	1	119.2185	2.616	12530	119.1973	2.651	12865
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:	4:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]2)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]2)(H){1|N<3>,4|C<4>,6|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H){4|H<1>,5|C<4>}	H(C[6]N[6,6]C[6])	117.2015	0.008	2	117.2015	0.000	2	117.2015	0.000	2	117.7396	0.724	5	117.7396	0.724	5	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:	4:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]2)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]2)(H){2|N<3>,4|C<4>,5|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H){4|H<1>,7|C<4>}	H(C[6]N[6,6]C[6])	117.2160	0.000	1	117.2160	0.000	1	117.5690	0.249	2	117.7396	0.724	5	117.7396	0.724	5	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:	4:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]C)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]C)(H){1|N<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H){1|C<3>,4|H<1>,6|C<4>}	H(C[6]N[6,6]C[6])	117.9220	0.000	1	117.9220	0.000	1	117.5690	0.249	2	117.7396	0.724	5	117.7396	0.724	5	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:	4:4:3:	3:	N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	H(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){3|H<1>,4|C<3>}	H(C[6]N[6,6]C[6])	119.1570	0.000	1	119.1570	0.000	1	119.1570	0.000	1	117.7396	0.724	5	117.7396	0.724	5	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]N[6]H)2(H)	H(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6])(H){1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]N[6]H)2(H){1|C<4>}	H(C[6]N[6]2)	118.1145	0.121	2	118.1145	0.015	2	118.1145	0.015	2	118.1145	0.015	2	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.2740	0.000	1	119.2740	0.000	1	118.7745	0.499	2	118.5760	0.368	3	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.2750	0.000	1	118.2750	0.000	1	118.7745	0.499	2	118.5760	0.368	3	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]N[6])	118.1790	0.000	1	118.1790	0.000	1	118.1790	0.000	1	118.5760	0.368	3	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<2>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	118.0470	0.000	1	118.0470	0.000	1	118.3835	0.226	2	118.6289	0.330	7	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]H)2(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	N[6](C[6]C[6]H)2(CC[6a]HH){1|C<2>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	118.7200	0.000	1	118.7200	0.000	1	118.3835	0.226	2	118.6289	0.330	7	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]H)(C[6]O[6]C)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|O<2>,2|H<1>}	N[6](C[6]C[6]H)(C[6]O[6]C)(SC[6a]OO){1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.5530	0.000	1	119.5530	0.000	1	118.8518	0.424	4	118.6289	0.330	7	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]H)2(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]S)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	118.9500	0.000	1	118.9500	0.000	1	118.8518	0.424	4	118.6289	0.330	7	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H)	N[6](C[6]C[6]H)2(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H){2|H<1>,4|C<3>}	N[6](C[6]C[6]H)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	117.9770	0.000	1	117.9770	0.000	1	118.8518	0.424	4	118.6289	0.330	7	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H)	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]N[6,6]C[6a])(N[6]C[6]S)(H){1|C<4>,4|C<3>}	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6])	118.9270	0.000	1	118.9270	0.000	1	118.8518	0.424	4	118.6289	0.330	7	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	118.2280	0.000	1	118.2280	0.000	1	118.2280	0.000	1	118.6289	0.330	7	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	3:4:2:	3:	C[6]-3:N[6]-3:H-1:	C[6]-3:S-4:N[6]-2:	C[6]-3:	C[6](C[6]C[6]C)(N[6]N[6]S)(H)	N[6](C[6]C[6]H)(SC[6a]OO)(N[6]C[6])	H(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]N[6]S)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(SC[6a]OO)(N[6]C[6]){1|C<4>,2|C<3>}	H(C[6]C[6]N[6])	119.7910	0.000	1	119.7910	0.000	1	119.7910	0.000	1	119.7910	0.000	1	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	C[6,6]-3:N[6]-3:H-1:	C[6]-4:B[5a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[3x6]C[6])(N[6]B[5a]C[6])(H)	N[6](C[6]C[6,6]C[6]H)(B[5a]N[5a]2)(C[6]C[6,6]H)	H(C[6]C[6,6]N[6])	C[6](C[6,6]C[3x6]C[6])(N[6]B[5a]C[6])(H){1|C<3>,2|C<4>,3|H<1>,3|N<3>}	N[6](C[6]C[6,6]C[6]H)(B[5a]N[5a]2)(C[6]C[6,6]H){1|H<1>,1|N<3>,2|C<4>,6|C<3>}	H(C[6]C[6,6]N[6])	118.6920	0.000	1	118.6920	0.000	1	118.6920	0.000	1	118.5790	0.026	2	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]H)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6]N[6])	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|Br<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6])	118.4660	0.000	1	118.4660	0.000	1	118.4660	0.000	1	118.5790	0.026	2	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H)	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SCOO)	H(C[6]C[6]N[6])	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SCOO){2|C<4>,2|H<1>}	H(C[6]C[6]N[6])	119.0970	0.000	1	119.0970	0.000	1	118.9886	0.430	18	118.5746	0.728	28	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H)	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H){2|H<1>,3|C<4>}	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,3|C<4>}	H(C[6]C[6]N[6])	119.6240	0.000	1	119.6240	0.000	1	118.9886	0.430	18	118.5746	0.728	28	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[5,6]C[6a])(N[6]C[6]S)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[5,6]C[6a])(N[6]C[6]S)(H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6])	117.2860	0.000	1	117.2860	0.000	1	118.9886	0.430	18	118.5746	0.728	28	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]S)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[5a,6]C[6a])(N[6]C[6]S)(H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]H)(SC[6a]OO){1|N<3>,2|C<3>}	H(C[6]C[6]N[6])	119.0925	0.182	2	119.0925	0.033	2	118.9886	0.430	18	118.5746	0.728	28	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(SC[6a]OO){3|C<3>}	H(C[6]C[6]N[6])	118.9530	0.000	1	118.9530	0.000	1	118.9886	0.430	18	118.5746	0.728	28	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6])	119.0420	0.000	1	119.0420	0.000	1	118.9886	0.430	18	118.5746	0.728	28	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6])	119.5910	0.198	2	119.1717	0.547	3	118.9886	0.430	18	118.5746	0.728	28	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[6]C[6]N[6])	118.3330	0.000	1	119.1717	0.547	3	118.9886	0.430	18	118.5746	0.728	28	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]S)(N[6]C[6]S)(H)	N[6](C[6]C[6]CS)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6]S)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[6](C[6]C[6]CS)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6])	118.1050	0.000	1	118.1050	0.000	1	118.9886	0.430	18	118.5746	0.728	28	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6a]N[6])(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]N[6])(N[6]C[6]S)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(SC[6a]OO){1|N<2>,4|C<3>}	H(C[6]C[6]N[6])	120.2000	0.000	1	120.2000	0.000	1	118.9886	0.430	18	118.5746	0.728	28	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6])	118.6895	0.193	2	118.8694	0.056	5	118.9886	0.430	18	118.5746	0.728	28	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]C[6a]O[6])(N[6]C[6]S)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6])	118.9893	0.200	3	118.8694	0.056	5	118.9886	0.430	18	118.5746	0.728	28	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]O[6]C)(N[6]C[6]S)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](C[6]O[6]C)(N[6]C[6]S)(H){1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6])	119.4410	0.000	1	119.4410	0.000	1	118.9886	0.430	18	118.5746	0.728	28	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:H-1:	S[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]C)(N[6]S[6]C)(H)	N[6](S[6]C[6,6a]OO)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](C[6]C[6,6a]C)(N[6]S[6]C)(H){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]H)(CC[6a]HH){1|C<4>,2|C<3>}	H(C[6]C[6]N[6])	117.6090	0.000	1	117.6090	0.000	1	117.6090	0.000	1	118.5746	0.728	28	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[4,6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[4,6,6]C)(C[6]C[4x6]H)(H)	N[6](C[4,6,6]C[4,3x6]C[4,4x6]H)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6])	C[6](N[6]C[4,6,6]C)(C[6]C[4x6]H)(H){2|H<1>,3|C<4>}	N[6](C[4,6,6]C[4,3x6]C[4,4x6]H)(C[6]C[6]H)(CC[6a]HH){1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6])	117.4980	0.000	1	117.4980	0.000	1	117.4980	0.000	1	118.5746	0.728	28	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:S-4:	C[6]-3:	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H)	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H){1|Fe<10>,1|O<1>,2|C<4>}	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6])	118.1390	0.000	1	118.1390	0.000	1	118.0190	0.448	7	118.5746	0.728	28	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:S-4:	C[6]-3:	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6])	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6])	117.9990	0.731	6	117.9990	0.534	6	118.0190	0.448	7	118.5746	0.728	28	118.5906	0.579	43	118.5020	0.648	48
762	856	951	0:SP2_SP-NON_SP3	C[6]	N[6]	H	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(H)	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH)	H(C[6]N[6]2)	C[6](N[6]C[6]C)2(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH){2|C<4>,2|H<1>}	H(C[6]N[6]2)	117.0530	0.000	1	117.0530	0.000	1	117.0530	0.000	1	118.5746	0.728	28	118.5906	0.579	43	118.5020	0.648	48