930	818	940	0:SP2_SP-NON_SP2	C	C[5]	P	3:2:1:	3:3:3:	4:3:	C[5]-3:P-2:O-1:	N[5]-3:N[5]-3:C-3:	Ge-4:C-3:	C(C[5]N[5]2)(PGe)(O)	C[5](N[5]C[6a]C[5])2(COP)	P(GeC[6a]3)(CC[5]O)	C(C[5]N[5]2)(PGe)(O)	C[5](N[5]C[6a]C[5])2(COP){2|H<1>,4|C<3>}	P(GeC[6a]3)(CC[5]O)	114.1120	0.000	1	114.1120	0.000	1	114.1120	0.000	1	114.1120	0.000	1	116.4834	2.887	5	116.4834	2.887	5
930	818	940	0:SP2_SP-NON_SP2	C	C[5]	P	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:P-2:	N[5]-3:N[5]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(PC[5])	C[5](N[5]C[6a]C[5])2(CC[6a]P)	P(C[5]C[5,6]N[5])(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(PC[5])	C[5](N[5]C[6a]C[5])2(CC[6a]P){2|H<1>,4|C<3>}	P(C[5]C[5,6]N[5])(CC[6a]C[5])	116.6660	1.932	2	116.6660	3.732	2	117.0763	1.506	4	117.0763	1.506	4	116.4834	2.887	5	116.4834	2.887	5
930	818	940	0:SP2_SP-NON_SP2	C	C[5]	P	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:P-2:	N[5]-3:N[5]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(PC[5])	C[5](N[5]C[6a]C[5])2(CC[6a]P)	P(C[5]C[5]N[5])(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(PC[5])	C[5](N[5]C[6a]C[5])2(CC[6a]P){2|H<1>,4|C<3>}	P(C[5]C[5]N[5])(CC[6a]C[5])	117.4865	0.334	2	117.4865	0.112	2	117.0763	1.506	4	117.0763	1.506	4	116.4834	2.887	5	116.4834	2.887	5
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	2:2:3:	3:3:	C[5]-3:N-2:H-1:	N[5]-2:N[5]-2:C-3:	C-3:N-3:	C(C[5]N[5]2)(NN)(H)	C[5](N[5]C[5])2(CHN)	N(CC[5]H)(NCH)	C(C[5]N[5]2)(NN)(H)	C[5](N[5]C[5])2(CHN){2|H<1>}	N(CC[5]H)(NCH)	119.3000	0.000	1	119.3000	0.000	1	119.3000	0.000	1	119.3000	0.000	1	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	3:2:3:	3:2:	C[5]-3:N-2:Cl-1:	C[5]-3:N[5]-2:C-3:	C-3:O-2:	C(C[5]C[5]N[5])(NO)(Cl)	C[5](C[5]N[5]C)(N[5]O[5])(CClN)	N(CC[5]Cl)(OH)	C(C[5]C[5]N[5])(NO)(Cl)	C[5](C[5]N[5]C)(N[5]O[5])(CClN){1|O<1>}	N(CC[5]Cl)(OH)	117.2550	0.000	1	117.2550	0.000	1	117.2550	0.000	1	115.6775	4.977	2	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	3:2:3:	3:2:	C[5]-3:N-2:O-1:	N[5,6]-3:C[5]-2:C-3:	C-3:C-2:	C(C[5]N[5,6]C[5])(NC)(O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5])(CNO)	N(CC[5]O)(CS)	C(C[5]N[5,6]C[5])(NC)(O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5])(CNO){1|C<3>,2|C<2>}	N(CC[5]O)(CS)	114.1000	0.000	1	114.1000	0.000	1	114.1000	0.000	1	115.6775	4.977	2	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	3:2:3:	3:3:	C[5]-3:N-2:H-1:	C[5]-3:N[5]-2:C-3:	C-3:N-3:	C(C[5]C[5]N[5])(NN)(H)	C[5](C[5]N[5]C)(N[5]O[5])(CHN)	N(CC[5]H)(NCH)	C(C[5]C[5]N[5])(NN)(H)	C[5](C[5]N[5]C)(N[5]O[5])(CHN){1|O<1>}	N(CC[5]H)(NCH)	119.8168	1.116	5	119.8168	1.245	5	119.6431	1.180	8	119.1564	1.520	14	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	3:2:3:	3:3:	C[5]-3:N-2:H-1:	C[5]-3:N[5]-2:C-3:	C-3:N-3:	C(C[5]C[5]N[5])(NN)(H)	C[5](C[5]N[5]C)(N[5]O[5])(CHN)	N(CC[5]H)(NC[5]H)	C(C[5]C[5]N[5])(NN)(H)	C[5](C[5]N[5]C)(N[5]O[5])(CHN){1|O<1>}	N(CC[5]H)(NC[5]H)	119.3537	1.200	3	119.3537	1.440	3	119.6431	1.180	8	119.1564	1.520	14	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	3:2:3:	3:3:	C[5]-3:N-2:H-1:	C[5]-3:N[5]-2:C-3:	N-3:C-3:	C(C[5]C[5]N[5])(NN)(H)	C[5](C[5]N[5]C)(N[5]O[5])(CHN)	N(NC[5a]H)(CC[5]H)	C(C[5]C[5]N[5])(NN)(H)	C[5](C[5]N[5]C)(N[5]O[5])(CHN){1|O<1>}	N(NC[5a]H)(CC[5]H)	117.8820	0.932	2	117.8820	0.869	2	117.8820	0.869	2	119.1564	1.520	14	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	3:2:3:	3:3:	C[5]-3:N-2:H-1:	C[5]-3:S[5]-2:C-3:	C[6]-3:C-3:	C(C[5]C[5]S[5])(NC[6])(H)	C[5](C[5]S[5]H)(S[5]C[5])(CHN)	N(C[6]C[6]N[6])(CC[5]H)	C(C[5]C[5]S[5])(NC[6])(H)	C[5](C[5]S[5]H)(S[5]C[5])(CHN){1|C<3>}	N(C[6]C[6]N[6])(CC[5]H)	119.4550	0.313	3	119.4550	0.098	3	119.4550	0.098	3	119.1564	1.520	14	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	3:2:3:	3:3:	C[5]-3:N-2:H-1:	C[5]-3:S[5]-2:C-3:	C[6a]-3:C-3:	C(C[5]C[5]S[5])(NC[6a])(H)	C[5](C[5]S[5]H)(S[5]C[5])(CHN)	N(C[6a]C[6a]N[6a])(CC[5]H)	C(C[5]C[5]S[5])(NC[6a])(H)	C[5](C[5]S[5]H)(S[5]C[5])(CHN){1|C<3>}	N(C[6a]C[6a]N[6a])(CC[5]H)	116.9150	0.000	1	116.9150	0.000	1	116.9150	0.000	1	119.1564	1.520	14	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	3:2:3:	3:4:	C[5]-3:N-2:H-1:	C[5]-3:N[5]-2:C-3:	C-3:C-4:	C(C[5]C[5]N[5])(NC)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CHN)	N(CC[5]H)(CC3)	C(C[5]C[5]N[5])(NC)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CHN){1|C<3>,1|H<1>}	N(CC[5]H)(CC3)	119.6130	0.445	2	119.6130	0.198	2	119.6130	0.198	2	119.0857	0.933	3	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	3:2:3:	3:4:	C[5]-3:N-2:O-1:	C[5]-3:S[5]-2:C-3:	C-3:C-4:	C(C[5]C[5]S[5])(NC)(O)	C[5](C[5]S[5]C)(S[5]C[5])(CNO)	N(CC[5]O)(CH3)	C(C[5]C[5]S[5])(NC)(O)	C[5](C[5]S[5]C)(S[5]C[5])(CNO){1|C<3>}	N(CC[5]O)(CH3)	118.0310	0.000	1	118.0310	0.000	1	118.0310	0.000	1	119.0857	0.933	3	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	3:2:3:	4:3:	C[5]-3:N-2:H-1:	C[5]-3:N[5]-2:C-3:	C-4:C-3:	C(C[5]C[5]N[5])(NC)(H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CHN)	N(CC[6a]2C)(CC[5]H)	C(C[5]C[5]N[5])(NC)(H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CHN){2|C<3>}	N(CC[6a]2C)(CC[5]H)	128.9740	0.000	1	128.9740	0.000	1	128.9740	0.000	1	128.9740	0.000	1	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	3:3:3:	3:2:	C[5]-3:N-2:Cl-1:	C[5]-3:N[5]-3:C-3:	C-3:O-2:	C(C[5]C[5]N[5])(NO)(Cl)	C[5](C[5]N[5]C)(N[5]O[5]O)(CClN)	N(CC[5]Cl)(OH)	C(C[5]C[5]N[5])(NO)(Cl)	C[5](C[5]N[5]C)(N[5]O[5]O)(CClN)	N(CC[5]Cl)(OH)	116.2240	0.000	1	116.2240	0.000	1	116.2240	0.000	1	118.9967	1.966	6	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	3:3:3:	3:2:	C[5]-3:N-2:H-1:	N[5]-3:N[5]-3:C-3:	C-3:N-2:	C(C[5]N[5]2)(NN)(H)	C[5](N[5]C[6a]C[5])2(CHN)	N(CC[5]H)(NC)	C(C[5]N[5]2)(NN)(H)	C[5](N[5]C[6a]C[5])2(CHN){2|H<1>,4|C<3>}	N(CC[5]H)(NC)	119.5512	0.390	5	119.5512	0.152	5	119.5512	0.152	5	118.9967	1.966	6	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	3:3:3:	3:3:	C[5]-3:N-2:H-1:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C-3:	C(C[5]C[5]2)(NC[6a])(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHN)	N(C[6a]C[6a]2)(CC[5]H)	C(C[5]C[5]2)(NC[6a])(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHN){2|H<1>}	N(C[6a]C[6a]2)(CC[5]H)	126.6420	0.000	1	126.6420	0.000	1	126.6420	0.000	1	115.9854	24.132	12	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	3:3:3:	3:3:	C[5]-3:N-2:H-1:	C[5]-3:N[5]-3:C-3:	N-3:C-3:	C(C[5]C[5]N[5])(NN)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CHN)	N(NC[5a]C)(CC[5]H)	C(C[5]C[5]N[5])(NN)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CHN){2|H<1>}	N(NC[5a]C)(CC[5]H)	117.8650	0.000	1	117.8650	0.000	1	117.8650	0.000	1	115.9854	24.132	12	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	3:3:3:	3:3:	C[5]-3:N-2:H-1:	N[5]-3:N[5]-3:C-3:	C-3:N-3:	C(C[5]N[5]2)(NN)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(CHN)	N(CC[5]H)(NCH)	C(C[5]N[5]2)(NN)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(CHN){2|H<1>}	N(CC[5]H)(NCH)	119.9430	0.000	1	119.9430	0.000	1	118.1410	6.494	2	115.9854	24.132	12	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	3:3:3:	3:3:	C[5]-3:N-2:H-1:	N[5]-3:N[5]-3:C-3:	C-3:N-3:	C(C[5]N[5]2)(NN)(H)	C[5](N[5]C[5]H)2(CHN)	N(CC[5]H)(NC[6]C)	C(C[5]N[5]2)(NN)(H)	C[5](N[5]C[5]H)2(CHN){2|H<1>}	N(CC[5]H)(NC[6]C)	116.3390	0.000	1	116.3390	0.000	1	118.1410	6.494	2	115.9854	24.132	12	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	3:3:3:	3:3:	C[5]-3:N-2:H-1:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C-3:	C(C[5]N[5]2)(NC[6a])(H)	C[5](N[5]C[6a]C[5])2(CHN)	N(C[6a]C[6a]2)(CC[5]H)	C(C[5]N[5]2)(NC[6a])(H)	C[5](N[5]C[6a]C[5])2(CHN){2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CC[5]H)	120.4360	0.000	1	120.4360	0.000	1	120.4360	0.000	1	115.9854	24.132	12	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	3:3:3:	3:3:	C[5]-3:N-2:H-1:	P[5]-3:C[5]-3:C-3:	N-3:C-3:	C(C[5]C[5]P[5])(NN)(H)	C[5](P[5]C[6a]C[5])(C[5]C[5]C)(CHN)	N(NC[6a]C)(CC[5]H)	C(C[5]C[5]P[5])(NN)(H)	C[5](P[5]C[6a]C[5])(C[5]C[5]C)(CHN){1|C<4>,1|H<1>,2|C<3>}	N(NC[6a]C)(CC[5]H)	118.9650	0.000	1	118.9650	0.000	1	118.9650	0.000	1	115.9854	24.132	12	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	3:3:3:	3:3:	C[5]-3:N-2:O-1:	C[5,6a]-3:N[5]-3:C-3:	C[6a]-3:C-3:	C(C[5]C[5,6a]N[5])(NC[6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(CNO)	N(C[6a]C[6a]2)(CC[5]O)	C(C[5]C[5,6a]N[5])(NC[6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(CNO){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[5]O)	110.7690	0.000	1	110.7690	0.000	1	110.7690	0.000	1	115.9854	24.132	12	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	3:3:3:	3:3:	C[5]-3:N-2:S-1:	N[5]-3:N[5]-3:C-3:	C-3:C-3:	C(C[5]N[5]2)(NC)(S)	C[5](N[5]C[5,6a]C)2(CNS)	N(CC[6a]O)(CC[5]S)	C(C[5]N[5]2)(NC)(S)	C[5](N[5]C[5,6a]C)2(CNS){2|C<3>}	N(CC[6a]O)(CC[5]S)	112.9610	0.000	1	112.9610	0.000	1	112.9610	0.000	1	115.9854	24.132	12	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	3:3:3:	3:3:	C[5]-3:N-2:S-1:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C-3:	C(C[5]N[5]2)(NC[6a])(S)	C[5](N[5]C[5,6a]C)2(CNS)	N(C[6a]C[6a]2)(CC[5]S)	C(C[5]N[5]2)(NC[6a])(S)	C[5](N[5]C[5,6a]C)2(CNS){2|C<3>}	N(C[6a]C[6a]2)(CC[5]S)	111.2350	0.557	2	111.2350	0.310	2	111.9762	1.079	4	115.9854	24.132	12	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	3:3:3:	3:3:	C[5]-3:N-2:S-1:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C-3:	C(C[5]N[5]2)(NC[6a])(S)	C[5](N[5]C[5]C)2(CNS)	N(C[6a]C[6a]2)(CC[5]S)	C(C[5]N[5]2)(NC[6a])(S)	C[5](N[5]C[5]C)2(CNS){2|C<4>}	N(C[6a]C[6a]2)(CC[5]S)	112.7175	0.853	2	112.7175	0.728	2	111.9762	1.079	4	115.9854	24.132	12	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	3:3:3:	4:3:	C[5]-3:N-2:O-1:	C[5]-3:C[5]-3:C-3:	C-4:C-3:	C(C[5]C[5]2)(NC)(O)	C[5](C[5]C[5]C)2(CNO)	N(CC[6a]CH)(CC[5]O)	C(C[5]C[5]2)(NC)(O)	C[5](C[5]C[5]C)2(CNO){2|C<3>}	N(CC[6a]CH)(CC[5]O)	119.8380	0.000	1	119.8380	0.000	1	119.8380	0.000	1	115.0740	45.391	2	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	3:3:3:	4:3:	C[5]-3:N-2:O-1:	N[5]-3:N[5]-3:C-3:	C-4:C-3:	C(C[5]N[5]2)(NC)(O)	C[5](N[5]C[6a]C[5])2(CNO)	N(CC[6a]HH)(CC[5]O)	C(C[5]N[5]2)(NC)(O)	C[5](N[5]C[6a]C[5])2(CNO){4|C<3>,4|H<1>}	N(CC[6a]HH)(CC[5]O)	110.3100	0.000	1	110.3100	0.000	1	110.3100	0.000	1	115.0740	45.391	2	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	4:3:3:	3:2:	C[5]-3:N-2:H-1:	C[5]-4:N[5]-3:C-3:	C-3:N-2:	C(C[5]C[5]N[5])(NN)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CHN)	N(CC[5]H)(NC[6a])	C(C[5]C[5]N[5])(NN)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CHN){2|C<3>}	N(CC[5]H)(NC[6a])	119.9735	1.573	2	119.9735	2.475	2	119.9735	2.475	2	119.9735	2.475	2	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	4:3:3:	3:3:	C[5]-3:N-2:H-1:	C[5,5]-4:C[5]-3:C-3:	N-3:C-3:	C(C[5]C[5,5]C[5])(NN)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CHN)	N(NC[6a]H)(CC[5]H)	C(C[5]C[5,5]C[5])(NN)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CHN){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N(NC[6a]H)(CC[5]H)	116.5990	0.000	1	116.5990	0.000	1	116.5990	0.000	1	121.9935	46.094	4	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	4:3:3:	3:3:	C[5]-3:N-2:H-1:	C[5,6]-4:C[5]-3:C-3:	C-3:N-3:	C(C[5]C[5,6]C[5])(NN)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]H)(CHN)	N(CC[5]H)(NCH)	C(C[5]C[5,6]C[5])(NN)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]H)(CHN){3|H<1>,4|C<4>}	N(CC[5]H)(NCH)	122.0370	0.000	1	122.0370	0.000	1	122.0370	0.000	1	121.9935	46.094	4	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	4:3:3:	3:3:	C[5]-3:N-2:H-1:	C[5]-4:C[5]-3:C-3:	N-3:C-3:	C(C[5]C[5]2)(NN)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CHN)	N(NC[6a]H)(CC[5]H)	C(C[5]C[5]2)(NN)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CHN){1|C<3>}	N(NC[6a]H)(CC[5]H)	117.7820	0.000	1	117.7820	0.000	1	117.7820	0.000	1	121.9935	46.094	4	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	4:3:3:	3:3:	C[5]-3:N-2:H-1:	S[5]-4:C[5]-3:C-3:	N[5a]-3:C-3:	C(C[5]C[5]S[5])(NN[5a])(H)	C[5](S[5]O[5]OO)(C[5]C[5]S)(CHN)	N(N[5a]C[5a]2)(CC[5]H)	C(C[5]C[5]S[5])(NN[5a])(H)	C[5](S[5]O[5]OO)(C[5]C[5]S)(CHN){2|C<4>}	N(N[5a]C[5a]2)(CC[5]H)	131.5560	0.000	1	131.5560	0.000	1	131.5560	0.000	1	121.9935	46.094	4	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:1:	4:3:3:	3:4:	C[5]-3:N-2:H-1:	C[5]-4:C[5]-3:C-3:	C-3:C-4:	C(C[5]C[5]2)(NC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]P)(CHN)	N(CC[5]H)(CC3)	C(C[5]C[5]2)(NC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]P)(CHN){4|H<1>}	N(CC[5]H)(CC3)	120.1790	0.607	2	120.1790	0.368	2	120.1790	0.368	2	120.1790	0.368	2	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:2:	3:2:3:	3:2:	C[5]-3:O-2:N-2:	N[5]-3:S[5]-2:C-3:	C-3:O-2:	C(C[5]N[5]S[5])(OZn)(NO)	C[5](N[5]C[5,6a]Zn)(S[5]C[5,6a])(CNO)	N(CC[5]O)(OC)	C(C[5]N[5]S[5])(OZn)(NO)	C[5](N[5]C[5,6a]Zn)(S[5]C[5,6a])(CNO){2|C<3>}	N(CC[5]O)(OC)	114.8900	0.000	1	114.8900	0.000	1	116.6013	2.338	3	116.6013	2.338	3	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:2:	3:2:3:	3:2:	C[5]-3:O-2:N-2:	N[5]-3:S[5]-2:C-3:	C-3:O-2:	C(C[5]N[5]S[5])(OZn)(NO)	C[5](N[5]C[5,6a]Zn)(S[5]C[5,6a])(CNO)	N(CC[5]O)(OH)	C(C[5]N[5]S[5])(OZn)(NO)	C[5](N[5]C[5,6a]Zn)(S[5]C[5,6a])(CNO){2|C<3>}	N(CC[5]O)(OH)	117.4570	0.532	2	117.4570	0.283	2	116.6013	2.338	3	116.6013	2.338	3	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:2:	3:3:3:	3:2:	C[5]-3:O-2:N-2:	N[5]-3:N[5]-3:C-3:	C-3:O-2:	C(C[5]N[5]2)(OZn)(NO)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CNO)	N(CC[5]O)(OH)	C(C[5]N[5]2)(OZn)(NO)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(CNO){2|C<3>}	N(CC[5]O)(OH)	119.6840	0.000	1	119.6840	0.000	1	119.6840	0.000	1	119.6840	0.000	1	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:2:	3:3:3:	3:3:	C[5]-3:N-2:N-2:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C-3:	C(C[5]N[5]2)(NC[6a])2	C[5](N[5]C[5]C[6])2(CNN)	N(C[6a]C[6a]2)(CC[5]N)	C(C[5]N[5]2)(NC[6a])2	C[5](N[5]C[5]C[6])2(CNN){4|C<4>,4|H<1>}	N(C[6a]C[6a]2)(CC[5]N)	115.8323	7.991	4	115.8323	63.864	4	115.8323	63.864	4	114.8962	40.858	6	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:2:	3:3:3:	3:3:	C[5]-3:N-2:S-2:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C-3:	C(C[5]N[5]2)(NC[6a])(SAu)	C[5](N[5]C[6a]C[5])2(CNS)	N(C[6a]C[6a]2)(CC[5]S)	C(C[5]N[5]2)(NC[6a])(SAu)	C[5](N[5]C[6a]C[5])2(CNS){2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CC[5]S)	113.0240	1.478	2	113.0240	2.184	2	113.0240	2.184	2	114.8962	40.858	6	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:2:	4:2:3:	3:4:	C[5]-3:S-2:N-2:	C[5]-4:N[5]-2:C-3:	C-3:C-4:	C(C[5]C[5]N[5])(SC[6a])(NC)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CNS)	N(CC[5]S)(CHHS)	C(C[5]C[5]N[5])(SC[6a])(NC)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CNS){2|C<3>,2|H<1>}	N(CC[5]S)(CHHS)	116.2610	0.000	1	116.2610	0.000	1	116.2610	0.000	1	116.2610	0.000	1	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:4:	3:3:3:	3:3:	C[5]-3:N-2:C-4:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C-3:	C(C[5]C[5]2)(NC[6a])(CF3)	C[5](C[5]C[5]H)2(CCN)	N(C[6a]C[6a]2)(CC[5]C)	C(C[5]C[5]2)(NC[6a])(CF3)	C[5](C[5]C[5]H)2(CCN){1|C<3>,1|H<1>}	N(C[6a]C[6a]2)(CC[5]C)	130.2770	0.000	1	130.2770	0.000	1	130.2770	0.000	1	121.8447	56.062	3	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:4:	3:3:3:	3:3:	C[5]-3:N-2:C-4:	P[5]-3:C[5]-3:C-3:	C[6a]-3:C-3:	C(C[5]C[5]P[5])(NC[6a])(CH3)	C[5](P[5]C[5]Sn)(C[5]C[5]C)(CCN)	N(C[6a]C[6a]2)(CC[5]C)	C(C[5]C[5]P[5])(NC[6a])(CH3)	C[5](P[5]C[5]Sn)(C[5]C[5]C)(CCN){1|C<3>,1|C<4>}	N(C[6a]C[6a]2)(CC[5]C)	119.2820	0.000	1	119.2820	0.000	1	117.6285	5.468	2	121.8447	56.062	3	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:4:	3:3:3:	3:3:	C[5]-3:N-2:C-4:	P[5]-3:C[5]-3:C-3:	C[6a]-3:C-3:	C(C[5]C[5]P[5])(NC[6a])(CH3)	C[5](P[5]C[6a]P[5])(C[5]N[5]C)(CCN)	N(C[6a]C[6a]2)(CC[5]C)	C(C[5]C[5]P[5])(NC[6a])(CH3)	C[5](P[5]C[6a]P[5])(C[5]N[5]C)(CCN){4|C<3>}	N(C[6a]C[6a]2)(CC[5]C)	115.9750	0.000	1	115.9750	0.000	1	117.6285	5.468	2	121.8447	56.062	3	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:4:	4:3:3:	3:3:	C[5]-3:N-2:C-4:	P[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:	C(C[5]C[5]P[5])(NC[6a])(CH3)	C[5](P[5]As[5]C[6a]2)(C[5]C[5]N)(CCN)	N(C[6a]C[6a]2)(CC[5]C)	C(C[5]C[5]P[5])(NC[6a])(CH3)	C[5](P[5]As[5]C[6a]2)(C[5]C[5]N)(CCN){2|H<1>,4|C<3>}	N(C[6a]C[6a]2)(CC[5]C)	118.7270	0.000	1	118.7270	0.000	1	118.0820	0.832	2	118.0820	0.832	2	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:2:4:	4:3:3:	3:3:	C[5]-3:N-2:C-4:	P[5]-4:C[5]-3:C-3:	C[6a]-3:C-3:	C(C[5]C[5]P[5])(NC[6a])(CH3)	C[5](P[5]C[6a]2Ge[5])(C[5]N[5]C)(CCN)	N(C[6a]C[6a]2)(CC[5]C)	C(C[5]C[5]P[5])(NC[6a])(CH3)	C[5](P[5]C[6a]2Ge[5])(C[5]N[5]C)(CCN){1|Cl<1>,5|C<3>}	N(C[6a]C[6a]2)(CC[5]C)	117.4370	0.000	1	117.4370	0.000	1	118.0820	0.832	2	118.0820	0.832	2	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:3:2:	2:2:3:	3:2:	C[5]-3:C-3:N-2:	S[5]-2:S[5]-2:C-3:	C-3:N-2:	C(C[5]S[5]2)(CC[6a]O)(NN)	C[5](S[5]C[5])2(CCN)	N(CC[5]C)(NC[6a])	C(C[5]S[5]2)(CC[6a]O)(NN)	C[5](S[5]C[5])2(CCN){4|H<1>}	N(CC[5]C)(NC[6a])	124.3320	0.000	1	124.3320	0.000	1	124.3320	0.000	1	124.3320	0.000	1	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:3:2:	2:2:3:	3:3:	C[5]-3:C[5]-3:N-2:	N[5]-2:N[5]-2:C-3:	C-3:N-3:	C(C[5]N[5]2)2(NN)	C[5](N[5]N[5])2(CC[5]N)	N(CC[5]2)(NHH)	C(C[5]N[5]2)2(NN)	C[5](N[5]N[5])2(CC[5]N)	N(CC[5]2)(NHH)	120.8320	6.966	2	120.8320	48.531	2	120.8320	48.531	2	120.8320	48.531	2	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:3:2:	3:2:3:	3:2:	C[5]-3:N-3:N-2:	C[5]-3:N[5]-2:C-3:	C-3:O-2:	C(C[5]C[5]N[5])(NHH)(NO)	C[5](C[5]N[5]C)(N[5]O[5])(CNN)	N(CC[5]N)(OH)	C(C[5]C[5]N[5])(NHH)(NO)	C[5](C[5]N[5]C)(N[5]O[5])(CNN){1|O<1>}	N(CC[5]N)(OH)	114.4950	0.000	1	114.4950	0.000	1	114.4950	0.000	1	120.9810	29.438	4	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:3:2:	3:2:3:	3:2:	C[5]-3:N-3:N-2:	N[5]-3:S[5]-2:C-3:	C-3:N-2:	C(C[5]N[5]S[5])(NOO)(NN)	C[5](N[5]C[5]H)(S[5]C[5])(CNN)	N(CC[5]N)(NC[6a])	C(C[5]N[5]S[5])(NOO)(NN)	C[5](N[5]C[5]H)(S[5]C[5])(CNN){4|H<1>}	N(CC[5]N)(NC[6a])	127.6800	0.000	1	127.6800	0.000	1	127.6800	0.000	1	120.9810	29.438	4	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:3:2:	3:2:3:	3:2:	C[6a]-3:C[5]-3:N-2:	N[5]-3:N[5]-2:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(C[5]N[5]2)(NO)	C[5](N[5]C[5]N)(N[5]C[5])(CC[6a]N)	N(CC[6a]C[5])(OC)	C(C[6a]C[6a]2)(C[5]N[5]2)(NO)	C[5](N[5]C[5]N)(N[5]C[5])(CC[6a]N){4|H<1>}	N(CC[6a]C[5])(OC)	121.6950	0.000	1	121.6950	0.000	1	120.8745	1.346	2	120.9810	29.438	4	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:3:2:	3:2:3:	3:2:	C[6a]-3:C[5]-3:N-2:	N[5]-3:N[5]-2:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(C[5]N[5]2)(NO)	C[5](N[5]C[5]N)(N[5]C[5])(CC[6a]N)	N(CC[6a]C[5])(OH)	C(C[6a]C[6a]2)(C[5]N[5]2)(NO)	C[5](N[5]C[5]N)(N[5]C[5])(CC[6a]N){4|H<1>}	N(CC[6a]C[5])(OH)	120.0540	0.000	1	120.0540	0.000	1	120.8745	1.346	2	120.9810	29.438	4	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:3:2:	3:2:3:	3:4:	C[5]-3:C-3:N-2:	C[5,6a]-3:N[5]-2:C-3:	C-3:C-4:	C(C[5]C[5,6a]N[5])(CC[5]N)(NC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCN)	N(CC[5]C)(CCHH)	C(C[5]C[5,6a]N[5])(CC[5]N)(NC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5])(CCN){1|H<1>,2|C<3>}	N(CC[5]C)(CCHH)	128.4940	0.000	1	128.4940	0.000	1	128.4940	0.000	1	128.4940	0.000	1	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:3:2:	3:3:3:	3:2:	C[5]-3:C-3:N-2:	C[5]-3:N[5]-3:C-3:	C-3:O-2:	C(C[5]C[5]N[5])(COO)(NO)	C[5](C[5]S[5]H)(N[5]C[5]H)(CCN)	N(CC[5]C)(OC)	C(C[5]C[5]N[5])(COO)(NO)	C[5](C[5]S[5]H)(N[5]C[5]H)(CCN){1|N<3>}	N(CC[5]C)(OC)	116.5650	0.000	1	116.5650	0.000	1	116.5650	0.000	1	119.4087	21.647	6	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:3:2:	3:3:3:	3:2:	C[5]-3:C[6a]-3:N-2:	C[5]-3:N[5]-3:C-3:	C-3:N-2:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NN)	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]N)	N(CC[6a]C[5])(NC)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NN)	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]N){1|C<3>}	N(CC[6a]C[5])(NC)	120.5120	0.000	1	120.5120	0.000	1	120.5120	0.000	1	119.4087	21.647	6	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:3:2:	3:3:3:	3:2:	C[5]-3:N-3:N-2:	C[5]-3:N[5]-3:C-3:	C-3:O-2:	C(C[5]C[5]N[5])(NHH)(NO)	C[5](C[5]N[5]C)(N[5]O[5]O)(CNN)	N(CC[5]N)(OH)	C(C[5]C[5]N[5])(NHH)(NO)	C[5](C[5]N[5]C)(N[5]O[5]O)(CNN)	N(CC[5]N)(OH)	115.1060	0.000	1	115.1060	0.000	1	115.1060	0.000	1	119.4087	21.647	6	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:3:2:	3:3:3:	3:2:	C[5]-3:N-3:N-2:	N[5]-3:N[5]-3:C-3:	C-3:N-2:	C(C[5]N[5]2)(NOO)(NN)	C[5](N[5]C[5]C)(N[5]C[5]H)(CNN)	N(CC[5]N)(NC[6a])	C(C[5]N[5]2)(NOO)(NN)	C[5](N[5]C[5]C)(N[5]C[5]H)(CNN){4|H<1>}	N(CC[5]N)(NC[6a])	121.0095	8.199	2	121.0095	67.222	2	121.0095	67.222	2	119.4087	21.647	6	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[5]-3:N-2:	N[5]-3:N[5]-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(C[5]N[5]2)(NO)	C[5](N[5]C[5]H)2(CC[6a]N)	N(CC[6a]C[5])(OH)	C(C[6a]C[6a]2)(C[5]N[5]2)(NO)	C[5](N[5]C[5]H)2(CC[6a]N){4|H<1>}	N(CC[6a]C[5])(OH)	122.2500	0.000	1	122.2500	0.000	1	122.2500	0.000	1	119.4087	21.647	6	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:3:2:	3:3:3:	3:3:	C[5]-3:C-3:N-2:	N[5]-3:N[5]-3:C-3:	N-3:C-3:	C(C[5]N[5]2)(COO)(NN)	C[5](N[5]C[5]C)(N[5]C[5]H)(CCN)	N(NC[6a]H)(CC[5]C)	C(C[5]N[5]2)(COO)(NN)	C[5](N[5]C[5]C)(N[5]C[5]H)(CCN){2|H<1>}	N(NC[6a]H)(CC[5]C)	115.7360	0.000	1	115.7360	0.000	1	115.7360	0.000	1	117.7083	7.667	23	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:3:2:	3:3:3:	3:3:	C[5]-3:O-3:N-2:	N[5]-3:C[5]-3:C-3:	C-3:N-3:	C(C[5]C[5]N[5])(OMn2)(NN)	C[5](N[5]C[5]Mn)(C[5]N[5]C)(CNO)	N(CC[5]O)(NMnC)	C(C[5]C[5]N[5])(OMn2)(NN)	C[5](N[5]C[5]Mn)(C[5]N[5]C)(CNO){2|H<1>}	N(CC[5]O)(NMnC)	118.7565	0.203	2	118.7565	0.041	2	117.0557	1.494	20	117.7083	7.667	23	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:3:2:	3:3:3:	3:3:	C[5]-3:O-3:N-2:	N[5]-3:C[5]-3:C-3:	C-3:N-3:	C(C[5]C[5]N[5])(OMn2)(NN)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CNO)	N(CC[5]O)(NMnC)	C(C[5]C[5]N[5])(OMn2)(NN)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CNO){1|C<3>,1|C<4>}	N(CC[5]O)(NMnC)	116.3615	1.760	6	116.8667	1.290	18	117.0557	1.494	20	117.7083	7.667	23	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:3:2:	3:3:3:	3:3:	C[5]-3:O-3:N-2:	N[5]-3:C[5]-3:C-3:	C-3:N-3:	C(C[5]C[5]N[5])(OMn2)(NN)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CNO)	N(CC[5]O)(NMnC)	C(C[5]C[5]N[5])(OMn2)(NN)	C[5](N[5]N[5]Mn)(C[5]C[5]H)(CNO){1|C<4>,1|H<1>}	N(CC[5]O)(NMnC)	117.1193	0.613	12	116.8667	1.290	18	117.0557	1.494	20	117.7083	7.667	23	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N-2:	C[5]-3:C[5]-3:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(NN)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]N)	N(CC[6a]C[5])(NC[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(NN)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]N){1|C<3>}	N(CC[6a]C[5])(NC[5]H)	127.9610	0.000	1	127.9610	0.000	1	127.9610	0.000	1	117.7083	7.667	23	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[5]-3:N-2:	C[5]-3:C[5]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a])	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a])	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]N){2|H<1>}	N(C[6a]C[6a]2)(CC[6a]C[5])	122.4790	0.000	1	122.4790	0.000	1	122.4790	0.000	1	117.7083	7.667	23	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:3:2:	3:3:3:	3:4:	C[5]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5]-3:C-3:	C-3:S-4:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N)	N(CC[6a]C[5])(SC[6a]CO)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N){1|H<1>,5|C<3>}	N(CC[6a]C[5])(SC[6a]CO)	127.6270	1.199	2	127.6270	1.438	2	127.6270	1.438	2	127.6270	1.438	2	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:3:2:	3:3:3:	4:3:	C[5]-3:N-3:N-2:	N[5]-3:N[5]-3:C-3:	C[6]-4:C-3:	C(C[5]N[5]2)(NC[6]Al)(NC[6])	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CNN)	N(C[6]C[6]2H)(CC[5]N)	C(C[5]N[5]2)(NC[6]Al)(NC[6])	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CNN){2|C<3>,2|H<1>}	N(C[6]C[6]2H)(CC[5]N)	122.0010	0.000	1	122.0010	0.000	1	122.0010	0.000	1	122.0010	0.000	1	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:3:2:	4:3:3:	3:2:	C[5]-3:C[6a]-3:N-2:	C[5]-4:N[5]-3:C-3:	C-3:O-2:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]N)	N(CC[6a]C[5])(OH)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]N){4|H<1>}	N(CC[6a]C[5])(OH)	110.3880	0.000	1	110.3880	0.000	1	110.3880	0.000	1	110.3880	0.000	1	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:4:2:	3:2:3:	3:2:	C[5]-3:C-4:N-2:	C[5]-3:N[5]-2:C-3:	C-3:O-2:	C(C[5]C[5]N[5])(CH3)(NO)	C[5](C[5]C[5]H)(N[5]N[5])(CCN)	N(CC[5]C)(OH)	C(C[5]C[5]N[5])(CH3)(NO)	C[5](C[5]C[5]H)(N[5]N[5])(CCN){1|H<1>}	N(CC[5]C)(OH)	111.8360	0.000	1	111.8360	0.000	1	111.8360	0.000	1	111.8360	0.000	1	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:4:2:	4:2:3:	3:1:	C[5]-3:Si-4:N-2:	C[5,5]-4:N[5]-2:C-3:	C-3:N-1:	C(C[5]C[5,5]N[5])(SiC[6a]2C)(NN)	C[5](C[5,5]C[5]2O[5])(N[5]C[5])(CSiN)	N(CC[5]Si)(N)	C(C[5]C[5,5]N[5])(SiC[6a]2C)(NN)	C[5](C[5,5]C[5]2O[5])(N[5]C[5])(CSiN){1|O<1>,2|C<4>,4|H<1>}	N(CC[5]Si)(N)	115.2710	0.000	1	115.2710	0.000	1	115.2710	0.000	1	115.2710	0.000	1	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:4:2:	4:2:3:	3:3:	C[5]-3:C-4:N-2:	C[5]-4:S[5]-2:C-3:	C-3:N-3:	C(C[5]C[5]S[5])(CCCH)(NN)	C[5](C[5]C[5]HH)(S[5]C[5])(CCN)	N(CC[5]C)(NCS)	C(C[5]C[5]S[5])(CCCH)(NN)	C[5](C[5]C[5]HH)(S[5]C[5])(CCN){2|H<1>}	N(CC[5]C)(NCS)	116.2230	0.000	1	116.2230	0.000	1	116.2230	0.000	1	116.2230	0.000	1	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:4:2:	4:3:3:	3:2:	C[5]-3:C-4:N-2:	C[5,6]-4:C[5]-3:C-3:	C-3:O-2:	C(C[5]C[5,6]C[5])(CH3)(NO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCN)	N(CC[5]C)(OH)	C(C[5]C[5,6]C[5])(CH3)(NO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCN){1|C<3>,1|C<4>,5|H<1>}	N(CC[5]C)(OH)	117.3340	0.000	1	117.3340	0.000	1	117.3340	0.000	1	117.3340	0.000	1	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:4:2:	4:3:3:	3:3:	C[5]-3:C-4:N-2:	C[5]-4:C[5]-3:C-3:	N-3:C-3:	C(C[5]C[5]2)(CH3)(NN)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CCN)	N(NC[6a]H)(CC[5]C)	C(C[5]C[5]2)(CH3)(NN)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CCN){1|C<3>,1|C<4>,2|H<1>}	N(NC[6a]H)(CC[5]C)	114.6430	0.000	1	114.6430	0.000	1	115.1860	0.590	2	115.1860	0.590	2	118.4551	19.502	112	118.4551	19.502	112
930	818	941	0:SP2_SP2_SP2	C	C[5]	N	3:4:2:	4:3:3:	3:3:	C[5]-3:C-4:N-2:	C[5]-4:C[5]-3:C-3:	N-3:C-3:	C(C[5]C[5]2)(CH3)(NN)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCN)	N(NC[6a]H)(CC[5]C)	C(C[5]C[5]2)(CH3)(NN)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCN){1|C<3>,1|C<4>,2|H<1>}	N(NC[6a]H)(CC[5]C)	115.7290	0.000	1	115.7290	0.000	1	115.1860	0.590	2	115.1860	0.590	2	118.4551	19.502	112	118.4551	19.502	112
930	818	944	0:SP2_SP-NON_SP2	C	C[5]	I	3:1:1:	3:4:3:	3:	C[5]-3:H-1:I-1:	N[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]N[5,6a]C[5])(H)(I)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHI)	I(CC[5]H)	C(C[5]N[5,6a]C[5])(H)(I)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHI){1|O<1>,1|S<4>,2|N<2>}	I(CC[5]H)	118.5710	0.000	1	118.5710	0.000	1	118.5710	0.000	1	118.5710	0.000	1	119.3990	9.009	33	119.3990	9.009	33
930	818	944	0:SP2_SP-NON_SP2	C	C[5]	I	3:1:1:	4:2:3:	3:	C[5]-3:H-1:I-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(H)(I)	C[5](C[5]C[5]HH)(O[5]C[5])(CHI)	I(CC[5]H)	C(C[5]C[5]O[5])(H)(I)	C[5](C[5]C[5]HH)(O[5]C[5])(CHI){1|C<3>,1|N<2>,2|H<1>}	I(CC[5]H)	124.1640	0.000	1	124.1640	0.000	1	122.0480	3.414	3	122.0480	3.414	3	119.3990	9.009	33	119.3990	9.009	33
930	818	944	0:SP2_SP-NON_SP2	C	C[5]	I	3:1:1:	4:2:3:	3:	C[5]-3:H-1:I-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(H)(I)	C[5](C[5]N[5]HH)(O[5]C[5])(CHI)	I(CC[5]H)	C(C[5]C[5]O[5])(H)(I)	C[5](C[5]N[5]HH)(O[5]C[5])(CHI){1|C<4>,1|N<2>}	I(CC[5]H)	120.9900	0.335	2	120.9900	0.112	2	122.0480	3.414	3	122.0480	3.414	3	119.3990	9.009	33	119.3990	9.009	33
930	818	944	0:SP2_SP-NON_SP2	C	C[5]	I	3:1:1:	4:3:3:	3:	C[5]-3:H-1:I-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(H)(I)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]S)(CHI)	I(CC[5]H)	C(C[5]C[5]N[5])(H)(I)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]S)(CHI){4|C<3>}	I(CC[5]H)	124.9670	0.324	2	124.9670	0.105	2	124.9670	0.105	2	124.9670	0.105	2	119.3990	9.009	33	119.3990	9.009	33
930	818	944	0:SP2_SP-NON_SP2	C	C[5]	I	3:1:1:	4:4:3:	3:	C[5]-3:H-1:I-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(H)(I)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CHI)	I(CC[5]H)	C(C[5]C[5,5]C[5])(H)(I)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CHI){2|C<3>,3|H<1>}	I(CC[5]H)	123.8010	0.000	1	123.8010	0.000	1	123.8010	0.000	1	123.8010	0.000	1	119.3990	9.009	33	119.3990	9.009	33
930	818	944	0:SP2_SP-NON_SP2	C	C[5]	I	3:3:1:	3:2:3:	3:	C[5]-3:C-3:I-1:	C[5,6a]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5,6a]N[5])(CC[6a]2)(I)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCI)	I(CC[5]C)	C(C[5]C[5,6a]N[5])(CC[6a]2)(I)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCI){1|H<1>,2|C<3>,2|O<1>}	I(CC[5]C)	111.7340	0.000	1	111.7340	0.000	1	111.7340	0.000	1	114.9550	20.750	2	119.3990	9.009	33	119.3990	9.009	33
930	818	944	0:SP2_SP-NON_SP2	C	C[5]	I	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:I-1:	C[5,6a]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(I)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]I)	I(CC[6a]C[5])	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(I)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]I){1|H<1>,2|C<3>,2|C<4>}	I(CC[6a]C[5])	118.1760	0.000	1	118.1760	0.000	1	118.1760	0.000	1	114.9550	20.750	2	119.3990	9.009	33	119.3990	9.009	33
930	818	944	0:SP2_SP-NON_SP2	C	C[5]	I	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:I-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(I)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]I)	I(CC[6a]C[5])	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(I)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]I){1|H<1>,1|O<1>,2|C<3>}	I(CC[6a]C[5])	119.4960	0.000	1	119.4960	0.000	1	119.4960	0.000	1	119.4960	0.000	1	119.3990	9.009	33	119.3990	9.009	33
930	818	944	0:SP2_SP-NON_SP2	C	C[5]	I	3:3:1:	3:4:3:	3:	C[5]-3:C[6a]-3:I-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]I)	I(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]I){1|N<2>,2|C<3>,2|H<1>}	I(CC[6a]C[5])	121.4110	0.000	1	122.3155	1.636	2	122.3155	1.636	2	122.3155	1.636	2	119.3990	9.009	33	119.3990	9.009	33
930	818	944	0:SP2_SP-NON_SP2	C	C[5]	I	3:3:1:	3:4:3:	3:	C[5]-3:C[6a]-3:I-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]I)	I(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]I){2|C<3>,3|H<1>}	I(CC[6a]C[5])	123.2200	0.000	1	122.3155	1.636	2	122.3155	1.636	2	122.3155	1.636	2	119.3990	9.009	33	119.3990	9.009	33
930	818	944	0:SP2_SP-NON_SP2	C	C[5]	I	3:3:1:	4:2:3:	3:	C[5]-3:C[6a]-3:I-1:	C[5]-4:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(I)	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CC[6a]I)	I(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(I)	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CC[6a]I){1|S<2>,3|C<3>}	I(CC[6a]C[5])	122.4160	0.000	1	122.4160	0.000	1	122.4160	0.000	1	119.6680	2.630	5	119.3990	9.009	33	119.3990	9.009	33
930	818	944	0:SP2_SP-NON_SP2	C	C[5]	I	3:3:1:	4:2:3:	3:	C[5]-3:C[6a]-3:I-1:	C[5]-4:Se[5]-2:C-3:	C-3:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(I)	C[5](C[5]C[5]HH)(Se[5]C[5])(CC[6a]I)	I(CC[6a]C[5])	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(I)	C[5](C[5]C[5]HH)(Se[5]C[5])(CC[6a]I){4|H<1>}	I(CC[6a]C[5])	118.9810	0.600	4	118.9810	0.361	4	118.9810	0.361	4	119.6680	2.630	5	119.3990	9.009	33	119.3990	9.009	33
930	818	944	0:SP2_SP-NON_SP2	C	C[5]	I	3:3:1:	4:3:3:	3:	C[5]-3:C[5]-3:I-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])2(I)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[5]I)	I(CC[5]2)	C(C[5]C[5]N[5])2(I)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[5]I){2|C<3>}	I(CC[5]2)	117.6810	1.328	2	117.6810	1.763	2	117.6810	1.763	2	118.2482	1.339	4	119.3990	9.009	33	119.3990	9.009	33
930	818	944	0:SP2_SP-NON_SP2	C	C[5]	I	3:3:1:	4:3:3:	3:	C[5]-3:C[6a]-3:I-1:	C[5,5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5,5]N[5])(C[6a]C[6a]2)(I)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(CC[6a]I)	I(CC[6a]C[5])	C(C[5]C[5,5]N[5])(C[6a]C[6a]2)(I)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(CC[6a]I){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	I(CC[6a]C[5])	118.8155	0.984	2	118.8155	0.967	2	118.8155	0.967	2	118.2482	1.339	4	119.3990	9.009	33	119.3990	9.009	33
930	818	944	0:SP2_SP-NON_SP2	C	C[5]	I	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:I-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(I)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]I)	I(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(I)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]I){4|H<1>}	I(CC[6a]C[5])	118.0380	0.000	1	118.0380	0.000	1	119.0438	0.651	8	119.0438	0.651	8	119.3990	9.009	33	119.3990	9.009	33
930	818	944	0:SP2_SP-NON_SP2	C	C[5]	I	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:I-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(I)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I)	I(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(I)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I){1|S<4>,2|H<1>}	I(CC[6a]C[5])	119.1582	0.920	5	119.1582	0.847	5	119.0438	0.651	8	119.0438	0.651	8	119.3990	9.009	33	119.3990	9.009	33
930	818	944	0:SP2_SP-NON_SP2	C	C[5]	I	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:I-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(I)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I)	I(CC[6a]C[5])	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(I)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I){1|S<4>,2|H<1>}	I(CC[6a]C[5])	119.2605	0.049	2	119.2605	0.002	2	119.0438	0.651	8	119.0438	0.651	8	119.3990	9.009	33	119.3990	9.009	33
930	818	944	0:SP2_SP-NON_SP2	C	C[5]	I	3:4:1:	3:2:3:	3:	C[5]-3:C-4:I-1:	C[5,6a]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5,6a]O[5])(CC3)(I)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCI)	I(CC[5]C)	C(C[5]C[5,6a]O[5])(CC3)(I)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCI){1|H<1>,1|O<1>,2|C<3>}	I(CC[5]C)	116.6640	0.000	1	116.6640	0.000	1	116.6640	0.000	1	116.6640	0.000	1	119.3990	9.009	33	119.3990	9.009	33
930	818	944	0:SP2_SP-NON_SP2	C	C[5]	I	3:4:1:	4:2:3:	3:	C[5]-3:C-4:I-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(CHHO)(I)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCI)	I(CC[5]C)	C(C[5]C[5]O[5])(CHHO)(I)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCI){1|N<3>,1|S<4>,3|C<3>}	I(CC[5]C)	119.9920	0.000	1	119.9920	0.000	1	119.9920	0.000	1	119.9920	0.000	1	119.3990	9.009	33	119.3990	9.009	33
930	818	944	0:SP2_SP-NON_SP2	C	C[5]	I	3:4:1:	4:3:3:	3:	C[5]-3:S-4:I-1:	C[5,6]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(SC3)(I)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CIS)	I(CC[5]S)	C(C[5]C[5,6]C[5])(SC3)(I)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CIS){1|O<1>,2|C<4>,3|H<1>}	I(CC[5]S)	113.9050	0.000	1	113.9050	0.000	1	113.9050	0.000	1	113.9050	0.000	1	119.3990	9.009	33	119.3990	9.009	33
930	818	944	0:SP2_SP-NON_SP2	C	C[5]	I	3:4:1:	4:4:3:	3:	C[5]-3:S-4:I-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(SC3)(I)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CIS)	I(CC[5]S)	C(C[5]C[5,6]C[5])(SC3)(I)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CIS){1|O<1>,2|C<4>,3|H<1>}	I(CC[5]S)	113.4370	0.000	1	113.4370	0.000	1	113.4370	0.000	1	113.4370	0.000	1	119.3990	9.009	33	119.3990	9.009	33
930	818	945	0:SP2_SP2_SP3	C	C[5]	P	3:3:1:	3:2:3:	3:3:3:	C[5]-3:P-3:H-1:	N[5]-3:S[5]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]N[5]S[5])(PC[6a]2)(H)	C[5](N[5]C[5]P)(S[5]C[5])(CHP)	P(C[6a]C[6a]2)2(CC[5]H)	C(C[5]N[5]S[5])(PC[6a]2)(H)	C[5](N[5]C[5]P)(S[5]C[5])(CHP){4|H<1>}	P(C[6a]C[6a]2)2(CC[5]H)	122.6690	0.000	1	122.6690	0.000	1	122.6690	0.000	1	122.6690	0.000	1	124.4525	42.619	11	124.4525	42.619	11
930	818	945	0:SP2_SP2_SP3	C	C[5]	P	3:3:1:	3:3:3:	3:4:4:	C[5]-3:P-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:C-4:C-4:	C(C[5]N[5]2)(PCC)(H)	C[5](N[5]C[6a]C[5])2(CHP)	P(CC[5]H)(CCCH)2	C(C[5]N[5]2)(PCC)(H)	C[5](N[5]C[6a]C[5])2(CHP){2|H<1>,4|C<3>}	P(CC[5]H)(CCCH)2	128.1510	1.203	4	128.1510	1.447	4	128.1510	1.447	4	128.1510	1.447	4	124.4525	42.619	11	124.4525	42.619	11
930	818	945	0:SP2_SP2_SP3	C	C[5]	P	3:3:3:	3:3:3:	3:1:1:	C[5]-3:C[5]-3:P-3:	N[5]-3:N[5]-3:C-3:	C-3:Br-1:Br-1:	C(C[5]N[5]2)2(PBr2)	C[5](N[5]C[5,6a]C)2(CC[5]P)	P(CC[5]2)(Br)2	C(C[5]N[5]2)2(PBr2)	C[5](N[5]C[5,6a]C)2(CC[5]P){2|C<3>}	P(CC[5]2)(Br)2	122.4580	10.547	4	122.4580	111.233	4	122.4580	111.233	4	122.4580	111.233	4	124.4525	42.619	11	124.4525	42.619	11
930	818	945	0:SP2_SP2_SP3	C	C[5]	P	3:3:3:	3:3:3:	3:3:3:	C[5]-3:P-3:P-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]2)(PC[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])2(CPP)	P(C[6a]C[6a]2)2(CC[5]P)	C(C[5]C[5,6a]2)(PC[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])2(CPP){2|H<1>,4|C<3>}	P(C[6a]C[6a]2)2(CC[5]P)	121.9365	1.298	2	121.9365	1.684	2	121.9365	1.684	2	121.9365	1.684	2	124.4525	42.619	11	124.4525	42.619	11
930	818	951	0:SP2_SP-NON_SP2	C	C[5,5]	H	3:1:1:	4:4:3:	3:	C[5,5]-3:H-1:H-1:	C[3x5,6]-4:C[3x5,6]-4:C-3:	C-3:	C(C[5,5]C[3x5,6]2)(H)2	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[3x5,6]C[5,5,6]C[5,6]N[5])(CHH)	H(CC[5,5]H)	C(C[5,5]C[3x5,6]2)(H)2	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[3x5,6]C[5,5,6]C[5,6]N[5])(CHH){1|S<4>,4|C<4>,6|H<1>}	H(CC[5,5]H)	119.9900	0.016	2	119.9900	0.000	2	119.9900	0.000	2	119.9900	0.000	2	119.9900	0.000	2	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	3:3:3:	3:	C[5,6]-3:H-1:H-1:	P[5,6]-3:P[5,6]-3:C-3:	C-3:	C(C[5,6]P[5,6]2)(H)2	C[5,6](P[5,6]P[5,6]Ge[5])(P[5,6]P[5,6]C[5])(CHH)	H(CC[5,6]H)	C(C[5,6]P[5,6]2)(H)2	C[5,6](P[5,6]P[5,6]Ge[5])(P[5,6]P[5,6]C[5])(CHH){1|Ge<4>,1|C<3>,1|H<1>,4|C<4>}	H(CC[5,6]H)	119.9760	0.017	2	119.9760	0.000	2	119.9760	0.000	2	119.9760	0.000	2	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	4:2:3:	3:	C[5,6]-3:H-1:H-1:	C[5,5,6]-4:O[5,6]-2:C-3:	C-3:	C(C[5,6]C[5,5,6]O[5,6])(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(O[5,6]C[5,5,6])(CHH)	H(CC[5,6]H)	C(C[5,6]C[5,5,6]O[5,6])(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(O[5,6]C[5,5,6])(CHH){1|H<1>,1|N<3>,2|C<4>}	H(CC[5,6]H)	119.9877	0.082	6	119.9877	0.007	6	119.9877	0.007	6	119.9877	0.007	6	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	4:4:3:	3:	C[5,6]-3:Br-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[5,6]2)(Br)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CBrH)	H(CC[5,6]Br)	C(C[5,6]C[5,6]2)(Br)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CBrH){4|C<3>,4|H<1>}	H(CC[5,6]Br)	118.5065	0.008	2	118.5065	0.000	2	118.5065	0.000	2	119.9367	0.849	63	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	4:4:3:	3:	C[5,6]-3:Cl-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(Cl)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[3x5,6]HH)(CClH)	H(CC[5,6]Cl)	C(C[5,6]C[5,5,6]C[5,6])(Cl)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[3x5,6]HH)(CClH){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	H(CC[5,6]Cl)	123.2120	0.000	1	123.2120	0.000	1	123.2120	0.000	1	119.9367	0.849	63	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	4:4:3:	3:	C[5,6]-3:Cl-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[5,6]2)(Cl)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CClH)	H(CC[5,6]Cl)	C(C[5,6]C[5,6]2)(Cl)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CClH){4|C<3>,4|H<1>}	H(CC[5,6]Cl)	117.9990	0.402	2	117.9990	0.161	2	117.9990	0.161	2	119.9367	0.849	63	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	4:4:3:	3:	C[5,6]-3:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[3x5,6]C[5,6])(H)2	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6]C[6]H)(CHH)	H(CC[5,6]H)	C(C[5,6]C[3x5,6]C[5,6])(H)2	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6]C[3x5,6]C[6]H)(CHH){1|Ru<11>,3|H<1>,5|C<4>}	H(CC[5,6]H)	117.2330	0.972	2	117.2330	0.944	2	117.2330	0.944	2	119.9367	0.849	63	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	4:4:3:	3:	C[5,6]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6,6]C[5,6])(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[3x6]C[5])(C[5,6]C[5]C[6]C)(CHH)	H(CC[5,6]H)	C(C[5,6]C[5,5,6,6]C[5,6])(H)2	C[5,6](C[5,5,6,6]C[5,5,6]C[3x6]C[5])(C[5,6]C[5]C[6]C)(CHH){2|H<1>,2|O<1>,2|O<2>,4|C<4>}	H(CC[5,6]H)	119.9835	0.012	2	119.9835	0.000	2	119.9835	0.000	2	119.9367	0.849	63	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	4:4:3:	3:	C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6]2)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5,6a]C)(C[5,5,6]C[5,6]O[5,5]H)(CHH)	H(CC[5,6]H)	C(C[5,6]C[5,5,6]2)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5,6a]C)(C[5,5,6]C[5,6]O[5,5]H)(CHH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(CC[5,6]H)	119.9925	0.050	2	119.9925	0.003	2	119.9942	0.001	5	119.9367	0.849	63	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	4:4:3:	3:	C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6]2)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(CHH)	H(CC[5,6]H)	C(C[5,6]C[5,5,6]2)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(CHH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(CC[5,6]H)	119.9950	0.000	1	119.9950	0.000	1	119.9942	0.001	5	119.9367	0.849	63	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	4:4:3:	3:	C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6]2)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CHH)	H(CC[5,6]H)	C(C[5,6]C[5,5,6]2)(H)2	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(CHH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(CC[5,6]H)	119.9955	0.039	2	119.9955	0.002	2	119.9942	0.001	5	119.9367	0.849	63	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	4:4:3:	3:	C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(CHH)	H(CC[5,6]H)	C(C[5,6]C[5,5,6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(CHH){1|H<1>,1|O<2>,2|C<4>}	H(CC[5,6]H)	119.9770	0.000	1	119.9770	0.000	1	120.1307	0.324	41	119.9367	0.849	63	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	4:4:3:	3:	C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HO)(CHH)	H(CC[5,6]H)	C(C[5,6]C[5,5,6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]HO)(CHH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(CC[5,6]H)	120.0110	0.045	2	120.0110	0.002	2	120.1307	0.324	41	119.9367	0.849	63	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	4:4:3:	3:	C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHH)	H(CC[5,6]H)	C(C[5,6]C[5,5,6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CHH){1|C<3>,4|H<1>}	H(CC[5,6]H)	119.9960	0.080	4	119.9960	0.006	4	120.1307	0.324	41	119.9367	0.849	63	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	4:4:3:	3:	C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]CC)(CHH)	H(CC[5,6]H)	C(C[5,6]C[5,5,6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]CC)(CHH){1|C<4>,5|H<1>}	H(CC[5,6]H)	120.0028	0.023	5	120.0028	0.001	5	120.1307	0.324	41	119.9367	0.849	63	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	4:4:3:	3:	C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	H(CC[5,6]H)	C(C[5,6]C[5,5,6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){1|C<3>,1|H<1>,2|O<1>,3|C<4>,3|O<2>}	H(CC[5,6]H)	119.9990	0.000	1	120.7491	1.616	7	120.1307	0.324	41	119.9367	0.849	63	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	4:4:3:	3:	C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	H(CC[5,6]H)	C(C[5,6]C[5,5,6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){1|C<3>,2|H<1>,2|O<1>,2|O<2>,3|C<4>}	H(CC[5,6]H)	122.6095	0.054	2	120.7491	1.616	7	120.1307	0.324	41	119.9367	0.849	63	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	4:4:3:	3:	C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	H(CC[5,6]H)	C(C[5,6]C[5,5,6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){2|H<1>,2|O<1>,2|O<2>,4|C<4>}	H(CC[5,6]H)	120.0065	0.028	4	120.7491	1.616	7	120.1307	0.324	41	119.9367	0.849	63	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	4:4:3:	3:	C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]CH)(CHH)	H(CC[5,6]H)	C(C[5,6]C[5,5,6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]CH)(CHH){5|C<3>}	H(CC[5,6]H)	120.0185	0.013	2	120.0185	0.000	2	120.1307	0.324	41	119.9367	0.849	63	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	4:4:3:	3:	C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]P[6])(CHH)	H(CC[5,6]H)	C(C[5,6]C[5,5,6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C[6a]P[6])(CHH){1|O<1>,2|O<2>,7|C<3>}	H(CC[5,6]H)	119.9848	0.028	6	119.9848	0.001	6	120.1307	0.324	41	119.9367	0.849	63	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	4:4:3:	3:	C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(CHH)	H(CC[5,6]H)	C(C[5,6]C[5,5,6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6]H)(CHH){1|O<1>,1|O<2>,2|H<1>,7|C<4>}	H(CC[5,6]H)	120.0185	0.068	4	120.0185	0.005	4	120.1307	0.324	41	119.9367	0.849	63	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	4:4:3:	3:	C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(CHH)	H(CC[5,6]H)	C(C[5,6]C[5,5,6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(CHH){1|C<4>,1|N<3>,3|H<1>}	H(CC[5,6]H)	119.9965	0.006	4	120.0097	0.001	10	120.1307	0.324	41	119.9367	0.849	63	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	4:4:3:	3:	C[5,6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(CHH)	H(CC[5,6]H)	C(C[5,6]C[5,5,6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(CHH){1|N<3>,2|C<4>,2|H<1>}	H(CC[5,6]H)	120.0185	0.038	6	120.0097	0.001	10	120.1307	0.324	41	119.9367	0.849	63	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	4:4:3:	3:	C[5,6]-3:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6,6])(H)2	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(CHH)	H(CC[5,6]H)	C(C[5,6]C[5,5,6]C[5,6,6])(H)2	C[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,6]O[5,5]H)(CHH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(CC[5,6]H)	119.9995	0.023	2	119.9995	0.001	2	119.9995	0.001	2	119.9367	0.849	63	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	4:4:3:	3:	C[5,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[5,6]2)(H)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(CHH)	H(CC[5,6]H)	C(C[5,6]C[5,6]2)(H)2	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(CHH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(CC[5,6]H)	120.0175	0.021	2	120.0175	0.000	2	120.0045	0.001	6	119.9367	0.849	63	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:1:1:	4:4:3:	3:	C[5,6]-3:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[5,6]2)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CHH)	H(CC[5,6]H)	C(C[5,6]C[5,6]2)(H)2	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(CHH){4|C<3>,4|H<1>}	H(CC[5,6]H)	119.9980	0.036	4	119.9980	0.001	4	120.0045	0.001	6	119.9367	0.849	63	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:2:1:	4:3:3:	3:	C[5,6]-3:S-2:H-1:	C[5,6]-4:C[5,6]-3:C-3:	C-3:	C(C[5,6]C[5,6]2)(SC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CHS)	H(CC[5,6]S)	C(C[5,6]C[5,6]2)(SC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CHS){1|C<3>,5|H<1>}	H(CC[5,6]S)	137.5680	0.000	1	137.5680	0.000	1	137.5680	0.000	1	137.5680	0.000	1	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:2:1:	4:4:3:	3:	C[5,6]-3:S-2:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[5,6]2)(SC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CHS)	H(CC[5,6]S)	C(C[5,6]C[5,6]2)(SC)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CHS){1|C<3>,5|H<1>}	H(CC[5,6]S)	121.5970	0.000	1	121.5970	0.000	1	121.5970	0.000	1	121.5970	0.000	1	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:3:1:	4:3:3:	3:	C[5,6]-3:C-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(CCH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]H)(CCH)	H(CC[5,6]C)	C(C[5,6]C[5,5,6]C[5,6])(CCH)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,5,6,6]H)(CCH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(CC[5,6]C)	116.5480	0.000	1	116.5480	0.000	1	116.8110	0.138	2	116.7183	0.973	21	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:3:1:	4:3:3:	3:	C[5,6]-3:C-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(CC[6a]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a])(CCH)	H(CC[5,6]C)	C(C[5,6]C[5,5,6]C[5,6])(CC[6a]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C[6a])(C[5,6]C[5,5,6]C[6a])(CCH){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(CC[5,6]C)	117.0740	0.000	1	117.0740	0.000	1	116.8110	0.138	2	116.7183	0.973	21	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:3:1:	4:3:3:	3:	C[5,6]-3:C-3:H-1:	P[5,5,6]-4:C[5,6]-3:C-3:	C-3:	C(C[5,6]P[5,5,6]C[5,6])(CC[5,6]H)(H)	C[5,6](P[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]C[6a])(CCH)	H(CC[5,6]C)	C(C[5,6]P[5,5,6]C[5,6])(CC[5,6]H)(H)	C[5,6](P[5,5,6]C[5,5]C[5,6]Pd)(C[5,6]C[5,5,6]C[6a])(CCH){1|C<4>,2|H<1>,4|C<3>}	H(CC[5,6]C)	118.1400	0.110	2	118.1400	0.012	2	116.7885	2.451	4	116.7183	0.973	21	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:3:1:	4:3:3:	3:	C[5,6]-3:C-3:H-1:	P[5,5,6]-4:C[5,6]-3:C-3:	C-3:	C(C[5,6]P[5,5,6]C[5,6])(CC[5,6]H)(H)	C[5,6](P[5,5,6]C[5,5]C[5,6]Rh)(C[5,6]C[5,5,6]C[6a])(CCH)	H(CC[5,6]C)	C(C[5,6]P[5,5,6]C[5,6])(CC[5,6]H)(H)	C[5,6](P[5,5,6]C[5,5]C[5,6]Rh)(C[5,6]C[5,5,6]C[6a])(CCH){1|C<4>,2|H<1>,4|C<3>}	H(CC[5,6]C)	115.4370	0.184	2	115.4370	0.034	2	116.7885	2.451	4	116.7183	0.973	21	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:3:1:	4:3:3:	3:	C[5,6]-3:C[5]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]H)	H(CC[5,6]C[5])	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(CC[5,6]C[5])	116.3220	0.000	1	116.3220	0.000	1	116.3220	0.000	1	116.7183	0.973	21	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:3:1:	4:3:3:	3:	C[5,6]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CC[6a]H)	H(CC[5,6]C[6a])	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CC[6a]H){1|C<4>,5|H<1>}	H(CC[5,6]C[6a])	116.1121	0.359	8	116.1121	0.129	8	116.1121	0.129	8	116.7183	0.973	21	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:3:1:	4:3:3:	3:	C[5,6]-3:N-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(NC[6a]Cu)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHN)	H(CC[5,6]N)	C(C[5,6]C[5,5,6]C[5,6])(NC[6a]Cu)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHN){2|H<1>,4|C<4>}	H(CC[5,6]N)	118.0305	0.452	4	118.0305	0.205	4	117.5150	0.826	6	116.7183	0.973	21	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:3:1:	4:3:3:	3:	C[5,6]-3:N-3:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(NC[6a]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHN)	H(CC[5,6]N)	C(C[5,6]C[5,5,6]C[5,6])(NC[6a]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHN){2|H<1>,4|C<4>}	H(CC[5,6]N)	116.4840	0.571	2	116.4840	0.326	2	117.5150	0.826	6	116.7183	0.973	21	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:3:1:	4:4:3:	3:	C[5,6]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CC[6a]H)	H(CC[5,6]C[6a])	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CC[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(CC[5,6]C[6a])	115.5140	0.713	3	115.5140	0.508	3	115.5140	0.508	3	117.0150	11.076	5	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:3:1:	4:4:3:	3:	C[5,6]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[5,6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(CC[6a]H)	H(CC[5,6]C[6a])	C(C[5,6]C[5,6]2)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(CC[6a]H){2|H<1>,6|C<3>}	H(CC[5,6]C[6a])	115.6340	0.000	1	115.6340	0.000	1	115.6340	0.000	1	117.0150	11.076	5	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:3:1:	4:4:3:	3:	C[5,6]-3:N-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(NCC)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHN)	H(CC[5,6]N)	C(C[5,6]C[5,5,6]C[5,6])(NCC)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHN){1|C<3>,2|H<1>}	H(CC[5,6]N)	122.8990	0.000	1	122.8990	0.000	1	122.8990	0.000	1	117.0150	11.076	5	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:4:1:	4:4:3:	3:	C[5,6]-3:C-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6,6]C[5,6])(CH3)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]N[5,5,6]HH)(CCH)	H(CC[5,6]C)	C(C[5,6]C[5,5,6,6]C[5,6])(CH3)(H)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]N[5,5,6]HH)(CCH){2|C<3>,2|C<4>,3|H<1>}	H(CC[5,6]C)	116.1290	0.000	1	116.1290	0.000	1	116.1290	0.000	1	115.9770	7.751	3	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:4:1:	4:4:3:	3:	C[5,6]-3:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HN)(CCH)	H(CC[5,6]C)	C(C[5,6]C[5,5,6]C[5,6])(CCHH)(H)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HN)(CCH){1|C<3>,2|H<1>}	H(CC[5,6]C)	118.6820	0.000	1	118.6820	0.000	1	118.6820	0.000	1	115.9770	7.751	3	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5,6]	H	3:4:1:	4:4:3:	3:	C[5,6]-3:P-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6,6])(PC[6a]2O)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]2)(CHP)	H(CC[5,6]P)	C(C[5,6]C[5,5,6]C[5,6,6])(PC[6a]2O)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]2)(CHP){2|C<4>,4|H<1>,5|C<3>}	H(CC[5,6]P)	113.1200	0.000	1	113.1200	0.000	1	113.1200	0.000	1	115.9770	7.751	3	119.2073	6.916	102	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:2:3:	3:	C[5]-3:H-1:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5])(CHH)	H(CC[5]H)	C(C[5]C[5]N[5])(H)2	C[5](C[5]C[5]H)(N[5]N[5])(CHH){1|C<3>,1|C<4>}	H(CC[5]H)	109.9827	2.472	4	109.9827	6.111	4	107.8157	22.482	8	111.9651	41.947	22	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:2:3:	3:	C[5]-3:H-1:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(H)2	C[5](C[5]C[5]N)(N[5]O[5])(CHH)	H(CC[5]H)	C(C[5]C[5]N[5])(H)2	C[5](C[5]C[5]N)(N[5]O[5])(CHH){1|C<4>}	H(CC[5]H)	109.1340	6.917	2	109.1340	47.844	2	107.8157	22.482	8	111.9651	41.947	22	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:2:3:	3:	C[5]-3:H-1:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(H)2	C[5](C[5]C[5]O)(N[5]C[5])(CHH)	H(CC[5]H)	C(C[5]C[5]N[5])(H)2	C[5](C[5]C[5]O)(N[5]C[5])(CHH){1|H<1>,2|C<3>}	H(CC[5]H)	102.1635	2.245	2	102.1635	5.040	2	107.8157	22.482	8	111.9651	41.947	22	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:2:3:	3:	C[5]-3:H-1:H-1:	N[5]-3:N[5]-2:C-3:	C-3:	C(C[5]N[5]2)(H)2	C[5](N[5]C[5]Ag)(N[5]C[5])(CHH)	H(CC[5]H)	C(C[5]N[5]2)(H)2	C[5](N[5]C[5]Ag)(N[5]C[5])(CHH){2|H<1>}	H(CC[5]H)	115.3925	1.018	2	115.3925	1.035	2	115.3925	1.035	2	111.9651	41.947	22	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:2:3:	3:	C[5]-3:H-1:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])(H)2	C[5](N[5]C[5]Pt)(O[5]N[5])(CHH)	H(CC[5]H)	C(C[5]N[5]O[5])(H)2	C[5](N[5]C[5]Pt)(O[5]N[5])(CHH){1|H<1>,2|C<3>}	H(CC[5]H)	111.5530	9.077	4	111.5530	82.401	4	111.5530	82.401	4	111.9651	41.947	22	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:2:3:	3:	C[5]-3:H-1:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(H)2	C[5](N[5]N[5]C)(S[5]C[5])(CHH)	H(CC[5]H)	C(C[5]N[5]S[5])(H)2	C[5](N[5]N[5]C)(S[5]C[5])(CHH){1|C<3>,1|N<2>}	H(CC[5]H)	106.8090	3.893	2	106.8090	15.158	2	106.8090	15.158	2	111.9651	41.947	22	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:2:3:	3:	C[5]-3:H-1:O-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(H)(O)	C[5](C[5]C[5]S)(N[5]C[5])(CHO)	H(CC[5]O)	C(C[5]C[5]N[5])(H)(O)	C[5](C[5]C[5]S)(N[5]C[5])(CHO){1|C<3>,1|S<2>}	H(CC[5]O)	117.8440	0.000	1	117.8440	0.000	1	117.8440	0.000	1	111.9651	41.947	22	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:2:3:	3:	C[5]-3:H-1:O-1:	C[5]-3:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(H)(O)	C[5](C[5]S[5]C)(S[5]C[5])(CHO)	H(CC[5]O)	C(C[5]C[5]S[5])(H)(O)	C[5](C[5]S[5]C)(S[5]C[5])(CHO){1|S<1>}	H(CC[5]O)	118.1750	0.000	2	118.1750	0.000	2	118.4492	0.063	5	111.9651	41.947	22	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:2:3:	3:	C[5]-3:H-1:O-1:	C[5]-3:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(H)(O)	C[5](C[5]S[5]H)(S[5]C[5])(CHO)	H(CC[5]O)	C(C[5]C[5]S[5])(H)(O)	C[5](C[5]S[5]H)(S[5]C[5])(CHO){1|C<3>}	H(CC[5]O)	118.6330	0.000	1	118.6330	0.000	1	118.4492	0.063	5	111.9651	41.947	22	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:2:3:	3:	C[5]-3:H-1:O-1:	C[5]-3:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(H)(O)	C[5](C[5]S[5]S)(S[5]C[5])(CHO)	H(CC[5]O)	C(C[5]C[5]S[5])(H)(O)	C[5](C[5]S[5]S)(S[5]C[5])(CHO){1|C<3>}	H(CC[5]O)	118.6315	0.013	2	118.6315	0.000	2	118.4492	0.063	5	111.9651	41.947	22	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:3:3:	3:	C[5]-3:Cl-1:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(Cl)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CClH)	H(CC[5]Cl)	C(C[5]C[5,6a]N[5])(Cl)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CClH){1|H<1>,2|C<3>,2|O<1>}	H(CC[5]Cl)	117.4190	0.000	1	117.4190	0.000	1	117.4190	0.000	1	118.9524	2.855	34	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:3:3:	3:	C[5]-3:H-1:H-1:	C[5,5a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,5a]N[5])(H)2	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(CHH)	H(CC[5]H)	C(C[5]C[5,5a]N[5])(H)2	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(CHH){1|H<1>,1|O<1>,4|C<3>}	H(CC[5]H)	119.1315	1.893	2	119.1315	3.583	2	119.1315	3.583	2	118.9524	2.855	34	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6]N[5])(H)2	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5,6]N[5])(H)2	C[5](C[5,6]C[5,6]O[6])(N[5]C[5]O)(CHH){1|O<1>,2|C<4>}	H(CC[5]H)	120.0098	0.067	5	120.0098	0.004	5	120.0098	0.004	5	118.9524	2.855	34	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:	C(C[5]C[5,6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CHH)	H(CC[5]H)	C(C[5]C[5,6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])2(CHH){1|H<1>,1|O<2>,4|C<3>}	H(CC[5]H)	119.9830	0.027	2	119.9830	0.001	2	119.9928	0.001	4	118.9524	2.855	34	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:	C(C[5]C[5,6a]2)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CHH)	H(CC[5]H)	C(C[5]C[5,6a]2)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,1|O<2>,4|C<3>}	H(CC[5]H)	120.0025	0.040	2	120.0025	0.002	2	119.9928	0.001	4	118.9524	2.855	34	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CHH)	H(CC[5]H)	C(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CHH){1|H<1>,1|O<1>,4|C<3>}	H(CC[5]H)	120.0023	0.038	4	120.0023	0.001	4	120.0023	0.001	4	118.9524	2.855	34	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CHH)	H(CC[5]H)	C(C[5]C[5,6a]N[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CHH){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	H(CC[5]H)	120.0050	0.106	2	120.0050	0.011	2	120.0065	0.004	4	118.9524	2.855	34	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]C)(CHH)	H(CC[5]H)	C(C[5]C[5,6a]N[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]C)(CHH){1|H<1>,1|O<1>,3|C<3>}	H(CC[5]H)	120.0080	0.027	2	120.0080	0.001	2	120.0065	0.004	4	118.9524	2.855	34	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:3:3:	3:	C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-3:C-3:	C-3:	C(C[5]N[5,5]C[5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]O)(CHH)	H(CC[5]H)	C(C[5]N[5,5]C[5])(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]O)(CHH){1|O<1>,1|O<2>,2|C<4>}	H(CC[5]H)	120.0325	0.023	2	120.0325	0.001	2	120.0325	0.001	2	118.9524	2.855	34	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:3:3:	3:	C[5]-3:H-1:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CHH)	H(CC[5]H)	C(C[5]C[5]N[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(CHH){1|O<1>,3|C<3>}	H(CC[5]H)	120.2080	1.455	2	120.2080	2.118	2	120.2080	2.118	2	118.9524	2.855	34	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:3:3:	3:	C[5]-3:H-1:O-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CHO)	H(CC[5]O)	C(C[5]C[5,6a]C[5])(H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CHO){1|H<1>,3|C<3>}	H(CC[5]O)	117.3770	0.286	2	117.3770	0.082	2	117.3770	0.082	2	118.9524	2.855	34	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:3:3:	3:	C[5]-3:H-1:O-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHO)	H(CC[5]O)	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHO){1|H<1>,1|P<4>}	H(CC[5]O)	115.0805	0.186	2	115.3390	0.218	3	116.0142	0.699	6	118.9524	2.855	34	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:3:3:	3:	C[5]-3:H-1:O-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHO)	H(CC[5]O)	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHO){2|H<1>}	H(CC[5]O)	115.8560	0.000	1	115.3390	0.218	3	116.0142	0.699	6	118.9524	2.855	34	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:3:3:	3:	C[5]-3:H-1:O-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[5]C)(C[5]N[5]C)(CHO)	H(CC[5]O)	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[5]C)(C[5]N[5]C)(CHO){1|C<3>}	H(CC[5]O)	116.9020	0.000	1	116.9020	0.000	1	116.0142	0.699	6	118.9524	2.855	34	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:3:3:	3:	C[5]-3:H-1:O-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[5]C)2(CHO)	H(CC[5]O)	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[5]C)2(CHO){2|C<3>}	H(CC[5]O)	116.9400	0.000	1	116.9400	0.000	1	116.0142	0.699	6	118.9524	2.855	34	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:3:3:	3:	C[5]-3:H-1:O-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHO)	H(CC[5]O)	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHO){4|C<3>}	H(CC[5]O)	116.2260	0.000	1	116.2260	0.000	1	116.0142	0.699	6	118.9524	2.855	34	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:3:3:	3:	C[5]-3:H-1:O-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(H)(O)	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHO)	H(CC[5]O)	C(C[5]N[5]2)(H)(O)	C[5](N[5]C[5]Zn)(N[5]C[5]C)(CHO){2|H<1>}	H(CC[5]O)	118.6615	1.135	2	118.6615	1.288	2	118.6615	1.288	2	118.9524	2.855	34	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:Cl-1:H-1:	N[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]N[5,6a]C[5])(Cl)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CClH)	H(CC[5]Cl)	C(C[5]N[5,6a]C[5])(Cl)(H)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CClH){1|C<4>,1|O<1>,2|C<3>}	H(CC[5]Cl)	125.5280	0.000	1	125.5280	0.000	1	125.5280	0.000	1	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:H-1:H-1:	C[5,5]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CHH)	H(CC[5]H)	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CHH){1|C<3>,1|C<4>,2|O<1>}	H(CC[5]H)	119.9972	0.006	6	119.9972	0.000	6	119.9972	0.000	6	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHH){2|H<1>,4|C<4>}	H(CC[5]H)	117.6745	2.988	2	118.8388	4.782	4	118.8388	4.782	4	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHH){3|C<4>,3|H<1>}	H(CC[5]H)	120.0030	0.008	2	118.8388	4.782	4	118.8388	4.782	4	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5,5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CHH)	H(CC[5]H)	C(C[5]C[5,6a]C[5,5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CHH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(CC[5]H)	118.4575	1.101	2	118.4575	1.212	2	119.3800	1.013	5	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5,5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CHH)	H(CC[5]H)	C(C[5]C[5,6a]C[5,5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CHH){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(CC[5]H)	119.9950	0.037	3	119.9950	0.001	3	119.3800	1.013	5	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5,6])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CHH)	H(CC[5]H)	C(C[5]C[5,6a]C[5,6])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CHH){1|O<1>,3|H<1>,5|C<3>}	H(CC[5]H)	120.0025	0.009	2	120.0025	0.000	2	120.0025	0.000	2	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]CC)(CHH)	H(CC[5]H)	C(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]CC)(CHH){1|C<3>,1|N<3>,1|S<2>}	H(CC[5]H)	121.5395	2.508	2	121.5395	6.291	2	120.2031	0.695	16	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHH)	H(CC[5]H)	C(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[5]H)	120.0085	0.032	2	120.0085	0.001	2	120.2031	0.695	16	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CHH){1|O<2>,2|C<3>,2|H<1>}	H(CC[5]H)	120.0042	0.116	4	120.0042	0.014	4	120.2031	0.695	16	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(CHH)	H(CC[5]H)	C(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(CHH){2|H<1>,4|C<3>}	H(CC[5]H)	120.0100	0.017	2	120.0100	0.000	2	120.2031	0.695	16	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]N)(CHH)	H(CC[5]H)	C(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]N)(CHH){1|H<1>,4|C<3>}	H(CC[5]H)	120.0215	0.062	2	120.0215	0.004	2	120.2031	0.695	16	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHH){1|H<1>,1|S<4>,2|C<3>}	H(CC[5]H)	120.0050	0.028	2	120.0050	0.001	2	120.2031	0.695	16	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(CHH)	H(CC[5]H)	C(C[5]C[5,6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]HN)(CHH){1|H<1>,2|C<3>}	H(CC[5]H)	120.0315	0.025	2	120.0315	0.001	2	120.2031	0.695	16	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:H-1:H-1:	N[3,5]-3:C[5]-4:C-3:	C-3:	C(C[5]N[3,5]C[5])(H)2	C[5](N[3,5]C[3,5]C[3])(C[5]C[5]HH)(CHH)	H(CC[5]H)	C(C[5]N[3,5]C[5])(H)2	C[5](N[3,5]C[3,5]C[3])(C[5]C[5]HH)(CHH){1|C<3>,4|H<1>}	H(CC[5]H)	119.9857	0.036	4	119.9857	0.001	4	119.9857	0.001	4	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:H-1:H-1:	N[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]N[5,6a]C[5])(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHH)	H(CC[5]H)	C(C[5]N[5,6a]C[5])(H)2	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHH){1|O<1>,1|S<4>,2|N<2>}	H(CC[5]H)	119.9980	0.006	2	119.9980	0.000	2	119.9980	0.000	2	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5]N[5])(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5]N[5])(H)2	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CHH){2|C<2>,2|C<3>}	H(CC[5]H)	120.0115	0.036	4	120.0115	0.001	4	118.7756	11.378	18	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5]N[5])(H)2	C[5](N[5]C[5,5]C)(C[5]S[5]CC)(CHH)	H(CC[5]H)	C(C[5]C[5]N[5])(H)2	C[5](N[5]C[5,5]C)(C[5]S[5]CC)(CHH){1|C<3>,1|C<4>}	H(CC[5]H)	120.0190	0.086	2	120.0190	0.007	2	118.7756	11.378	18	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5]N[5])(H)2	C[5](N[5]C[5]C[6])(C[5]O[5]CC)(CHH)	H(CC[5]H)	C(C[5]C[5]N[5])(H)2	C[5](N[5]C[5]C[6])(C[5]O[5]CC)(CHH){1|O<1>,2|C<3>}	H(CC[5]H)	112.3510	5.254	2	112.3510	27.602	2	118.7756	11.378	18	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5]N[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5]N[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(CHH){1|Mn<6>,1|H<1>,2|C<3>}	H(CC[5]H)	119.5595	4.601	2	119.5595	21.171	2	118.7756	11.378	18	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5]N[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(CHH)	H(CC[5]H)	C(C[5]C[5]N[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(CHH){1|O<1>,2|C<3>}	H(CC[5]H)	120.4755	0.647	4	120.4755	0.419	4	118.7756	11.378	18	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5]N[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5]N[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CHH){1|Mn<6>,2|C<3>}	H(CC[5]H)	115.3365	1.999	2	118.0385	12.225	4	118.7756	11.378	18	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:H-1:H-1:	N[5]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5]N[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5]N[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CHH){1|S<1>,2|C<3>}	H(CC[5]H)	120.7405	1.865	2	118.0385	12.225	4	118.7756	11.378	18	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:H-1:I-1:	N[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]N[5,6a]C[5])(H)(I)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHI)	H(CC[5]I)	C(C[5]N[5,6a]C[5])(H)(I)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CHI){1|O<1>,1|S<4>,2|N<2>}	H(CC[5]I)	120.7130	0.000	1	120.7130	0.000	1	120.7130	0.000	1	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	3:4:3:	3:	C[5]-3:H-1:O-1:	C[5,6]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(CHO)	H(CC[5]O)	C(C[5]C[5,6]C[5])(H)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(CHO){3|C<4>,4|H<1>}	H(CC[5]O)	117.5850	0.000	1	117.5850	0.000	1	117.5850	0.000	1	119.6203	4.838	60	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:2:3:	3:	C[5]-3:Br-1:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(Br)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrH)	H(CC[5]Br)	C(C[5]C[5]O[5])(Br)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrH){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]Br)	120.7080	0.000	1	120.7080	0.000	1	120.7080	0.000	1	119.9159	0.177	30	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:2:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5,6]O[5])(H)2	C[5](C[5,6]N[5,6]O[6]H)(O[5]C[5,6])(CHH)	H(CC[5]H)	C(C[5]C[5,6]O[5])(H)2	C[5](C[5,6]N[5,6]O[6]H)(O[5]C[5,6])(CHH){1|H<1>,1|S<4>,2|C<3>}	H(CC[5]H)	119.9705	0.056	2	119.9705	0.003	2	119.9705	0.003	2	119.9159	0.177	30	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:2:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(H)2	C[5](C[5]C[5,6]HO)(O[5]C[5])(CHH)	H(CC[5]H)	C(C[5]C[5]O[5])(H)2	C[5](C[5]C[5,6]HO)(O[5]C[5])(CHH){1|O<1>,2|C<4>}	H(CC[5]H)	120.0160	0.008	2	120.0160	0.000	2	119.9865	0.002	12	119.9159	0.177	30	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:2:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CHH)	H(CC[5]H)	C(C[5]C[5]O[5])(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(CHH){1|C<3>,1|C<4>}	H(CC[5]H)	119.9710	0.031	2	119.9710	0.001	2	119.9865	0.002	12	119.9159	0.177	30	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:2:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHH)	H(CC[5]H)	C(C[5]C[5]O[5])(H)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHH){1|C<3>,1|C<4>,1|O<1>}	H(CC[5]H)	119.9860	0.000	1	119.9860	0.000	1	119.9865	0.002	12	119.9159	0.177	30	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:2:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHH)	H(CC[5]H)	C(C[5]C[5]O[5])(H)2	C[5](C[5]N[5]HH)(O[5]C[5])(CHH){1|C<3>}	H(CC[5]H)	120.0090	0.038	2	120.0090	0.001	2	119.9865	0.002	12	119.9159	0.177	30	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:2:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CHH)	H(CC[5]H)	C(C[5]C[5]O[5])(H)2	C[5](C[5]O[5]CH)(O[5]C[5])(CHH){1|O<1>}	H(CC[5]H)	119.9720	0.054	5	119.9720	0.003	5	119.9865	0.002	12	119.9159	0.177	30	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:2:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(H)2	C[5](C[5]N[5,5a]HH)(S[5]C[5,5a])(CHH)	H(CC[5]H)	C(C[5]C[5]S[5])(H)2	C[5](C[5]N[5,5a]HH)(S[5]C[5,5a])(CHH){1|C<3>,1|N<2>}	H(CC[5]H)	119.9970	0.028	4	119.9970	0.001	4	120.0039	0.002	12	119.9159	0.177	30	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:2:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(CHH)	H(CC[5]H)	C(C[5]C[5]S[5])(H)2	C[5](C[5]N[5]HH)(S[5]C[5])(CHH){1|N<3>}	H(CC[5]H)	120.0074	0.045	8	120.0074	0.002	8	120.0039	0.002	12	119.9159	0.177	30	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:2:3:	3:	C[5]-3:H-1:I-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(H)(I)	C[5](C[5]C[5]HH)(O[5]C[5])(CHI)	H(CC[5]I)	C(C[5]C[5]O[5])(H)(I)	C[5](C[5]C[5]HH)(O[5]C[5])(CHI){1|C<3>,1|N<2>,2|H<1>}	H(CC[5]I)	117.9270	0.000	1	117.9270	0.000	1	118.9807	0.843	3	119.9159	0.177	30	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:2:3:	3:	C[5]-3:H-1:I-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(H)(I)	C[5](C[5]N[5]HH)(O[5]C[5])(CHI)	H(CC[5]I)	C(C[5]C[5]O[5])(H)(I)	C[5](C[5]N[5]HH)(O[5]C[5])(CHI){1|C<4>,1|N<2>}	H(CC[5]I)	119.5075	0.141	2	119.5075	0.020	2	118.9807	0.843	3	119.9159	0.177	30	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:Br-1:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(Br)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CBrH)	H(CC[5]Br)	C(C[5]C[5]N[5])(Br)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CBrH){1|O<1>}	H(CC[5]Br)	120.8570	0.000	1	120.8570	0.000	1	120.8570	0.000	1	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[3,5,5]-4:C[5,5]-3:C-3:	C-3:	C(C[5]C[3,5,5]C[5,5])(H)2	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5,5]C[5])(CHH)	H(CC[5]H)	C(C[5]C[3,5,5]C[5,5])(H)2	C[5](C[3,5,5]C[3,5,5]C[3]C[5])(C[5,5]C[5,5]C[5])(CHH){2|Br<1>,4|C<4>,4|H<1>}	H(CC[5]H)	120.0075	0.025	2	120.0075	0.001	2	120.0075	0.001	2	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[3,5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[3,5]N[5])(H)2	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CHH)	H(CC[5]H)	C(C[5]C[3,5]N[5])(H)2	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CHH){1|C<3>,2|H<1>}	H(CC[5]H)	119.9875	0.022	2	119.9875	0.000	2	119.9875	0.000	2	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[4,5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[4,5]C[5])(H)2	C[5](C[4,5]Si[4,5]C[4,5]C)(C[5]C[5]C)(CHH)	H(CC[5]H)	C(C[5]C[4,5]C[5])(H)2	C[5](C[4,5]Si[4,5]C[4,5]C)(C[5]C[5]C)(CHH){2|N<3>,3|C<4>}	H(CC[5]H)	121.1895	1.167	2	121.1895	1.363	2	121.1895	1.363	2	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,5,6]C[5])(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5,5,6]C[5])(H)2	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CHH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(CC[5]H)	119.9965	0.093	2	119.9965	0.009	2	119.9965	0.009	2	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6]-3:C-3:	C-3:	C(C[5]C[5,5]C[5,6])(H)2	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHH)	H(CC[5]H)	C(C[5]C[5,5]C[5,6])(H)2	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(CC[5]H)	119.5995	4.255	2	119.5995	18.102	2	119.5995	18.102	2	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5,5])(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CHH)	H(CC[5]H)	C(C[5]C[5,6a]C[5,5])(H)2	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(CC[5]H)	120.1965	0.333	2	120.1965	0.111	2	121.1172	1.886	10	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5,5])(H)2	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CHH)	H(CC[5]H)	C(C[5]C[5,6a]C[5,5])(H)2	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,5|C<3>}	H(CC[5]H)	121.3474	1.451	8	121.3474	2.106	8	121.1172	1.886	10	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(CHH){2|H<1>,3|C<4>}	H(CC[5]H)	120.0070	0.000	1	120.0070	0.000	1	119.9978	0.001	5	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(CHH)	H(CC[5]H)	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(CHH){1|O<2>,2|C<4>,3|H<1>}	H(CC[5]H)	119.9960	0.034	2	119.9960	0.001	2	119.9978	0.001	5	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CHH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CC[5]H)	119.9950	0.052	2	119.9950	0.003	2	119.9978	0.001	5	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5,5]N[5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CHH)	H(CC[5]H)	C(C[5]C[5,5]N[5])(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[5]H)	120.0485	0.049	2	120.0485	0.002	2	120.0192	0.003	6	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5,5]N[5])(H)2	C[5](C[5,5]C[5]3)(N[5]N[5]C)(CHH)	H(CC[5]H)	C(C[5]C[5,5]N[5])(H)2	C[5](C[5,5]C[5]3)(N[5]N[5]C)(CHH){1|O<1>,5|C<3>}	H(CC[5]H)	120.0045	0.051	4	120.0045	0.003	4	120.0192	0.003	6	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:B[5]-3:C-3:	C-3:	C(C[5]C[5,6]B[5])(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(B[5]O[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5,6]B[5])(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(B[5]O[5]O)(CHH){2|H<1>,3|C<4>}	H(CC[5]H)	120.0370	0.023	2	120.0370	0.001	2	120.0370	0.001	2	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5,6])(H)2	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(CHH)	H(CC[5]H)	C(C[5]C[5,6a]C[5,6])(H)2	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(CHH){1|O<1>,2|H<1>,6|C<3>}	H(CC[5]H)	120.0010	0.004	3	120.0010	0.000	3	119.6026	1.443	7	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5,6])(H)2	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CHH)	H(CC[5]H)	C(C[5]C[5,6a]C[5,6])(H)2	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CHH){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	H(CC[5]H)	118.5895	2.403	2	118.5895	5.777	2	119.6026	1.443	7	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5,6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5,6])(H)2	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])(CHH)	H(CC[5]H)	C(C[5]C[5,6a]C[5,6])(H)2	C[5](C[5,6]N[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,6|C<3>}	H(CC[5]H)	120.0180	0.076	2	120.0180	0.006	2	119.6026	1.443	7	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]O[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[3,6]C[5,6]H)(C[5]O[5]O)(CHH){1|H<1>,4|C<4>}	H(CC[5]H)	118.7255	2.976	2	118.7255	8.858	2	119.8154	0.806	77	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,4x6]O)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,4x6]O)(CHH){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]H)	118.5980	1.248	4	118.5980	1.557	4	119.8154	0.806	77	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(CHH){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]H)	120.0139	1.018	10	120.0066	0.849	12	119.8154	0.806	77	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]O)(CHH){3|C<4>,4|H<1>}	H(CC[5]H)	119.9700	0.096	2	120.0066	0.849	12	119.8154	0.806	77	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CC[5]H)	119.9660	0.623	13	119.8225	0.845	35	119.8154	0.806	77	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]H)	119.5548	1.372	13	119.8225	0.845	35	119.8154	0.806	77	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]H)	119.9956	0.035	5	119.8225	0.845	35	119.8154	0.806	77	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHH){3|C<4>,4|H<1>}	H(CC[5]H)	120.0097	0.010	4	119.8225	0.845	35	119.8154	0.806	77	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]O)(CHH){1|C<4>,2|C<3>,4|H<1>}	H(CC[5]H)	120.0035	0.056	2	120.0035	0.003	2	119.8154	0.806	77	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CHH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(CC[5]H)	119.9905	0.111	2	119.9922	0.004	4	119.8154	0.806	77	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CHH){1|S<4>,2|H<1>,3|C<3>}	H(CC[5]H)	119.9940	0.030	2	119.9922	0.004	4	119.8154	0.806	77	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH){1|O<2>,2|C<4>,2|H<1>}	H(CC[5]H)	119.9890	0.088	2	120.0058	0.001	18	119.8154	0.806	77	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CHH){2|C<4>,3|H<1>}	H(CC[5]H)	120.0079	0.031	16	120.0058	0.001	18	119.8154	0.806	77	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5,6]N[5])(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CHH)	H(CC[5]H)	C(C[5]C[5,6]N[5])(H)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CHH){3|C<4>,7|H<1>}	H(CC[5]H)	119.5565	2.534	2	119.5565	6.419	2	119.5565	6.419	2	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]N[5,5]O)(CHH){1|C<4>,1|H<1>,3|C<3>}	H(CC[5]H)	120.0180	0.017	2	120.0180	0.000	2	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,5]C[6a]H)(C[5]O[5]O)(CHH){4|C<3>}	H(CC[5]H)	119.9855	0.063	2	119.9855	0.004	2	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]H)	120.0240	0.014	2	120.0240	0.000	2	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CHH){1|N<3>,2|C<3>}	H(CC[5]H)	120.2905	3.101	2	120.1903	4.837	3	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CHH){1|O<2>,2|C<3>}	H(CC[5]H)	119.9900	0.000	1	120.1903	4.837	3	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CHH){2|C<3>}	H(CC[5]H)	119.9660	0.163	4	119.9660	0.027	4	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CHH){1|H<1>,1|O<2>,3|C<4>}	H(CC[5]H)	119.9883	0.018	3	119.9883	0.000	3	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]2H)(C[5]O[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]2H)(C[5]O[5]O)(CHH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[5]H)	120.0155	0.114	2	120.0155	0.013	2	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]O)(CHH){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]H)	120.0110	0.040	2	120.1115	2.361	6	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]O)(CHH){1|C<3>,1|O<1>}	H(CC[5]H)	120.1617	1.981	4	120.1115	2.361	6	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<3>,1|H<1>}	H(CC[5]H)	119.9614	1.271	11	120.2080	0.954	127	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	H(CC[5]H)	120.2490	0.980	108	120.2080	0.954	127	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){2|H<1>}	H(CC[5]H)	119.9933	0.043	8	120.2080	0.954	127	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CO)(C[5]N[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CO)(C[5]N[5]O)(CHH){1|C<3>,2|C<4>}	H(CC[5]H)	120.0165	0.025	2	120.0165	0.001	2	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHH){2|C<3>,2|H<1>}	H(CC[5]H)	120.0147	0.017	4	119.9965	0.001	6	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHH){4|H<1>}	H(CC[5]H)	119.9600	0.024	2	119.9965	0.001	6	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CHH){1|H<1>,2|C<4>}	H(CC[5]H)	120.0410	0.000	1	120.0277	0.001	3	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]O)(CHH){3|C<3>}	H(CC[5]H)	120.0210	0.037	2	120.0277	0.001	3	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	H(CC[5]H)	119.9945	0.005	2	120.0035	0.000	4	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHH){1|O<1>}	H(CC[5]H)	120.0125	0.016	2	120.0035	0.000	4	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]Ru)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]Ru)(CHH){1|H<1>,3|C<3>}	H(CC[5]H)	120.0120	0.007	2	120.0120	0.000	2	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CHH){2|H<1>,3|C<3>}	H(CC[5]H)	119.9960	0.023	2	119.9960	0.001	2	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CHH){1|C<4>,1|H<1>,3|C<3>}	H(CC[5]H)	120.0110	0.006	2	120.0110	0.000	2	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CHH){1|H<1>,3|C<3>}	H(CC[5]H)	116.1925	1.204	2	116.1925	1.450	2	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(CHH){3|C<3>}	H(CC[5]H)	120.0390	0.170	2	120.0390	0.029	2	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CHH){3|C<3>}	H(CC[5]H)	120.9195	0.211	2	120.9195	0.045	2	120.1237	1.000	178	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(H)2	C[5](C[5]C[5,6a]C[5,5]H)(N[5]C[5,6a]S)(CHH)	H(CC[5]H)	C(C[5]C[5]N[5])(H)2	C[5](C[5]C[5,6a]C[5,5]H)(N[5]C[5,6a]S)(CHH){2|C<4>,3|C<3>}	H(CC[5]H)	119.9860	0.000	1	119.9860	0.000	1	119.7988	1.976	12	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHH)	H(CC[5]H)	C(C[5]C[5]N[5])(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHH){1|O<1>,2|H<1>}	H(CC[5]H)	120.0000	0.025	3	120.0000	0.001	3	119.7988	1.976	12	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(H)2	C[5](C[5]C[5a]C[6a]C[5])(N[5]C[5]H)(CHH)	H(CC[5]H)	C(C[5]C[5]N[5])(H)2	C[5](C[5]C[5a]C[6a]C[5])(N[5]C[5]H)(CHH){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(CC[5]H)	120.0080	0.017	2	120.0080	0.000	2	119.7988	1.976	12	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(H)2	C[5](C[5]C[6]O[5]H)(N[5]C[6a]C[5])(CHH)	H(CC[5]H)	C(C[5]C[5]N[5])(H)2	C[5](C[5]C[6]O[5]H)(N[5]C[6a]C[5])(CHH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(CC[5]H)	118.8070	4.401	2	118.8070	19.369	2	119.7988	1.976	12	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CHH)	H(CC[5]H)	C(C[5]C[5]N[5])(H)2	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CHH){4|C<3>}	H(CC[5]H)	119.9915	0.016	2	119.9915	0.000	2	119.7988	1.976	12	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(H)2	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(CHH)	H(CC[5]H)	C(C[5]C[5]N[5])(H)2	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(CHH){1|C<4>,2|F<1>,3|C<3>}	H(CC[5]H)	119.9935	0.025	2	119.9935	0.001	2	119.7988	1.976	12	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:I-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(H)(I)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]S)(CHI)	H(CC[5]I)	C(C[5]C[5]N[5])(H)(I)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]S)(CHI){4|C<3>}	H(CC[5]I)	117.5545	0.210	2	117.5545	0.044	2	117.5545	0.044	2	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:O-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]C)(CHO)	H(CC[5]O)	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5]C)(CHO){2|H<1>,4|C<3>}	H(CC[5]O)	118.1370	0.000	1	118.1370	0.000	1	116.2653	5.718	18	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:O-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Br)(CHO)	H(CC[5]O)	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Br)(CHO){1|H<1>,3|C<4>}	H(CC[5]O)	118.4070	0.000	1	118.4070	0.000	1	116.2653	5.718	18	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:O-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CHO)	H(CC[5]O)	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]C)(CHO){1|H<1>,3|C<4>}	H(CC[5]O)	117.5450	0.000	1	117.5450	0.000	1	116.2653	5.718	18	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:O-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Cl)(CHO)	H(CC[5]O)	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]Cl)(CHO){1|H<1>,3|C<4>}	H(CC[5]O)	113.7983	1.910	7	113.7983	3.649	7	116.2653	5.718	18	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:O-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(CHO)	H(CC[5]O)	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]C)(CHO){2|C<3>}	H(CC[5]O)	115.8290	0.000	1	115.8290	0.000	1	116.2653	5.718	18	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:O-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CHO)	H(CC[5]O)	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CHO){4|H<1>}	H(CC[5]O)	117.9560	0.000	1	117.9560	0.000	1	116.2653	5.718	18	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:O-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CHO)	H(CC[5]O)	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(CHO){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(CC[5]O)	118.2698	0.259	4	118.2698	0.067	4	116.2653	5.718	18	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:3:3:	3:	C[5]-3:H-1:O-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]H)(CHO)	H(CC[5]O)	C(C[5]C[5]2)(H)(O)	C[5](C[5]C[6a]S[5]H)(C[5]C[5]H)(CHO){2|C<3>,2|H<1>}	H(CC[5]O)	117.6175	0.086	2	117.6175	0.007	2	116.2653	5.718	18	119.8284	2.084	330	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:Cl-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(Cl)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CClH)	H(CC[5]Cl)	C(C[5]C[5,6]C[5])(Cl)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CClH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	H(CC[5]Cl)	122.4540	0.000	1	122.4540	0.000	1	122.4540	0.000	1	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[3,5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[3,5,6]C[5])(H)2	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]O[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[3,5,6]C[5])(H)2	C[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]O[5]HH)(CHH){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]H)	119.9950	0.030	2	119.9950	0.001	2	119.9950	0.001	2	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[3,5]-4:C[5,6]-4:C-3:	C-3:	C(C[5]C[3,5]C[5,6])(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]2H)(CHH)	H(CC[5]H)	C(C[5]C[3,5]C[5,6])(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]2H)(CHH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(CC[5]H)	120.0100	0.025	2	120.0100	0.001	2	120.1755	0.409	16	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[3,5]-4:C[5,6]-4:C-3:	C-3:	C(C[5]C[3,5]C[5,6])(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	H(CC[5]H)	C(C[5]C[3,5]C[5,6])(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(CC[5]H)	120.1765	0.271	4	120.1991	0.468	14	120.1755	0.409	16	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[3,5]-4:C[5,6]-4:C-3:	C-3:	C(C[5]C[3,5]C[5,6])(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	H(CC[5]H)	C(C[5]C[3,5]C[5,6])(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH){1|C<3>,2|C<4>,5|H<1>}	H(CC[5]H)	120.0041	0.024	8	120.1991	0.468	14	120.1755	0.409	16	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[3,5]-4:C[5,6]-4:C-3:	C-3:	C(C[5]C[3,5]C[5,6])(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH)	H(CC[5]H)	C(C[5]C[3,5]C[5,6])(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]H)(CHH){1|O<2>,3|C<4>,4|H<1>}	H(CC[5]H)	121.0245	2.046	2	120.1991	0.468	14	120.1755	0.409	16	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[3,5]C[5])(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(CHH)	H(CC[5]H)	C(C[5]C[3,5]C[5])(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(CHH){2|C<4>,3|H<1>}	H(CC[5]H)	119.9910	0.018	2	119.9910	0.000	2	119.9910	0.000	2	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[3x5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[3x5,6]C[5])(H)2	C[5](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5]C[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[3x5,6]C[5])(H)2	C[5](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5]C[5]HH)(CHH){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(CC[5]H)	120.4850	0.327	2	120.4850	0.107	2	120.4850	0.107	2	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[3x5]C[5])(H)2	C[5](C[3x5]C[5,5]2C[5])(C[5]N[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[3x5]C[5])(H)2	C[5](C[3x5]C[5,5]2C[5])(C[5]N[5]HH)(CHH){1|N<3>,1|S<4>,3|C<4>,4|H<1>}	H(CC[5]H)	122.6335	3.004	2	121.7467	6.873	3	121.7467	6.873	3	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[3x5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[3x5]C[5])(H)2	C[5](C[3x5]C[5,5]2C[5])(C[5]N[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[3x5]C[5])(H)2	C[5](C[3x5]C[5,5]2C[5])(C[5]N[5]HH)(CHH){1|O<2>,1|S<4>,3|C<4>,4|H<1>}	H(CC[5]H)	119.9730	0.000	1	121.7467	6.873	3	121.7467	6.873	3	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[4,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[4,5]C[5])(H)2	C[5](C[4,5]C[4]2N[5])(C[5]C[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[4,5]C[5])(H)2	C[5](C[4,5]C[4]2N[5])(C[5]C[5]HH)(CHH){1|C<4>,1|N<3>,6|H<1>}	H(CC[5]H)	119.9935	0.087	2	119.9935	0.008	2	119.9935	0.008	2	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5,6]C[5])(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,5,6]C[5])(H)2	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CHH){1|C<3>,1|C<4>,1|O<1>,2|O<2>,4|H<1>}	H(CC[5]H)	121.9250	2.164	2	121.9250	4.682	2	121.9250	4.682	2	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-3:	C-3:	C(C[5]C[5,5]C[5,6])(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(CHH)	H(CC[5]H)	C(C[5]C[5,5]C[5,6])(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]H)(CHH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(CC[5]H)	119.9790	0.045	2	119.9790	0.002	2	120.8050	4.169	4	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:C-3:	C-3:	C(C[5]C[5,5]C[5,6])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHH)	H(CC[5]H)	C(C[5]C[5,5]C[5,6])(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]O[6]2)(CHH){2|C<3>,3|H<1>,4|C<4>}	H(CC[5]H)	121.6310	3.127	2	121.6310	9.777	2	120.8050	4.169	4	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]HH)(CHH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(CC[5]H)	119.9815	0.062	2	119.9815	0.004	2	120.9031	3.073	23	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5,5]2C)(C[5]C[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5,5]2C)(C[5]C[5]HH)(CHH){3|C<4>,4|H<1>}	H(CC[5]H)	119.9750	0.051	2	119.9750	0.003	2	120.9031	3.073	23	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5,5]2H)(C[5]C[5]HH)(CHH){3|C<4>,4|H<1>}	H(CC[5]H)	119.9865	0.053	2	119.9865	0.003	2	120.9031	3.073	23	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CHH){1|O<2>,2|H<1>,3|C<3>}	H(CC[5]H)	123.6155	2.167	4	123.4613	2.891	6	120.9031	3.073	23	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CHH){1|S<4>,2|C<3>,3|H<1>}	H(CC[5]H)	123.1530	0.277	2	123.4613	2.891	6	120.9031	3.073	23	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]CC)(CHH)	H(CC[5]H)	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]CC)(CHH){1|S<4>,2|C<3>,2|H<1>}	H(CC[5]H)	120.0000	0.004	2	120.0000	0.000	2	120.9031	3.073	23	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CHH)	H(CC[5]H)	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(CC[5]H)	120.0195	0.006	2	120.0195	0.000	2	120.9031	3.073	23	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(CHH){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	H(CC[5]H)	120.0070	0.086	2	120.0070	0.007	2	120.9031	3.073	23	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]HH)(CHH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	H(CC[5]H)	120.0440	0.044	3	120.0440	0.002	3	120.9031	3.073	23	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,5]C[5])(H)2	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(CHH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(CC[5]H)	119.9665	0.040	2	119.9665	0.002	2	120.9031	3.073	23	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6,6]C[5])(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,3x6]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,6,6]C[5])(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,3x6]HH)(CHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(CC[5]H)	118.8770	0.939	2	118.8770	0.882	2	118.8770	0.882	2	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5,5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]2)(CHH)	H(CC[5]H)	C(C[5]C[5,5]C[5,6])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]O[5]2)(CHH){1|O<1>,3|H<1>,4|C<4>}	H(CC[5]H)	120.0110	0.004	2	120.0110	0.000	2	120.0110	0.000	2	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6,6]C[6,6a]O)(C[5]C[5,6]HO)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6,6]C[6,6a]O)(C[5]C[5,6]HO)(CHH){1|C<4>,2|O<2>,3|C<3>}	H(CC[5]H)	119.9960	0.042	4	119.9960	0.002	4	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6,6]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]2H)(C[5]C[5,6,6]HH)(CHH){2|H<1>,2|O<2>,3|C<4>}	H(CC[5]H)	119.9965	0.074	2	119.9965	0.006	2	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]HH)(CHH){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]H)	119.9996	0.053	5	119.9996	0.003	5	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(CHH){1|O<1>,3|H<1>,4|C<3>}	H(CC[5]H)	121.8475	1.899	2	121.8475	3.605	2	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHH){2|C<4>,5|H<1>}	H(CC[5]H)	120.0060	0.000	1	120.0060	0.000	1	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]HO)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]HO)(CHH){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]H)	120.0190	0.052	2	120.0101	0.001	8	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]HO)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,3x6]HO)(CHH){3|C<4>,4|H<1>}	H(CC[5]H)	120.0072	0.017	6	120.0101	0.001	8	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(CHH){3|C<4>,4|H<1>}	H(CC[5]H)	120.0242	0.068	4	120.0242	0.005	4	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HO)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HO)(CHH){3|C<4>,4|H<1>}	H(CC[5]H)	120.0200	0.049	2	120.0200	0.002	2	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5]H)	120.0037	0.044	4	120.0899	0.302	29	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH){1|C<3>,1|O<1>,4|C<4>}	H(CC[5]H)	120.0045	0.012	2	120.0899	0.302	29	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[5]H)	120.0165	0.077	2	120.0899	0.302	29	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(CC[5]H)	119.9925	0.078	2	120.0899	0.302	29	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH){1|C<4>,2|C<3>,4|H<1>}	H(CC[5]H)	120.2590	0.942	10	120.0899	0.302	29	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH){1|O<1>,2|H<1>,3|C<4>}	H(CC[5]H)	120.0130	0.017	5	120.0899	0.302	29	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH){3|C<4>,4|H<1>}	H(CC[5]H)	119.9775	0.027	4	120.0899	0.302	29	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]H)	119.9718	0.030	12	119.9764	0.001	14	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HO)(CHH){3|C<4>,4|H<1>}	H(CC[5]H)	120.0040	0.031	2	119.9764	0.001	14	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHH){1|O<2>,2|C<4>,4|H<1>}	H(CC[5]H)	119.9870	0.017	2	119.9884	0.002	7	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CHH){1|O<2>,3|C<4>,3|H<1>}	H(CC[5]H)	119.9890	0.051	5	119.9884	0.002	7	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,3x6]HO)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,3x6]HO)(CHH){3|C<4>,4|H<1>}	H(CC[5]H)	120.0095	0.039	2	120.0095	0.002	2	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CHH){3|C<4>,4|H<1>}	H(CC[5]H)	120.0167	0.051	6	120.0167	0.003	6	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HO)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HO)(CHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(CC[5]H)	121.2655	2.705	2	121.2655	7.315	2	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,6,6]HH)(CHH){3|C<4>,4|H<1>}	H(CC[5]H)	120.0078	0.039	4	120.0078	0.002	4	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]2H)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]2H)(CHH){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	H(CC[5]H)	119.5220	4.045	2	119.5220	16.359	2	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CHH){3|H<1>,5|C<3>}	H(CC[5]H)	120.0023	0.055	3	120.0023	0.003	3	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(CHH){1|Si<4>,1|H<1>,1|N<3>,3|C<4>}	H(CC[5]H)	119.9765	0.005	4	119.9870	0.001	10	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(CHH){1|Si<4>,1|N<3>,2|C<4>,2|H<1>}	H(CC[5]H)	119.9940	0.048	6	119.9870	0.001	10	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]N[5,6]C[6]Si)(C[5]C[5,6]HH)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]N[5,6]C[6]Si)(C[5]C[5,6]HH)(CHH){1|N<3>,2|C<4>,3|H<1>}	H(CC[5]H)	120.0038	0.064	12	120.0038	0.004	12	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(CHH)	H(CC[5]H)	C(C[5]C[5,6]C[5])(H)2	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(CHH){1|C<4>,2|H<1>,4|C<3>}	H(CC[5]H)	119.9910	0.010	2	119.9910	0.000	2	120.0638	0.384	121	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[3,5,5]HO)(C[5]C[5,5]CH)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[3,5,5]HO)(C[5]C[5,5]CH)(CHH){1|H<1>,3|C<4>}	H(CC[5]H)	119.9945	0.016	2	119.9945	0.000	2	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(CHH){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]H)	120.0164	0.033	8	120.0164	0.001	8	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,5]CC)(C[5]N[5,5]HH)(CHH){1|H<1>,2|C<3>}	H(CC[5]H)	119.9915	0.035	2	119.9915	0.001	2	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,5]CH)(C[5]N[5,5]HH)(CHH){1|C<3>,1|C<4>,1|S<4>}	H(CC[5]H)	120.0055	0.035	2	120.0055	0.001	2	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,5]HH)(C[5]C[5]CH)(CHH){2|C<3>,2|C<4>}	H(CC[5]H)	119.9980	0.058	2	119.9980	0.003	2	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,5]HH)2(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,5]HH)2(CHH){1|C<4>,1|O<2>,2|C<3>}	H(CC[5]H)	121.6745	0.292	2	121.6745	0.085	2	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,6,6]HH)(C[5]C[5,6]HH)(CHH){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]H)	119.9880	0.020	2	119.9880	0.000	2	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,6]C[6a]C)(C[5]C[5,6]HH)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5,6]C[6a]C)(C[5]C[5,6]HH)(CHH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(CC[5]H)	120.0220	0.024	2	120.0220	0.001	2	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]HO)(CHH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(CC[5]H)	121.3895	2.581	4	121.3895	6.660	4	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]2O)(C[5]O[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]2O)(C[5]O[5]HH)(CHH){1|H<1>,4|C<4>}	H(CC[5]H)	120.0480	0.052	2	120.0480	0.003	2	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CHH){4|H<1>}	H(CC[5]H)	119.9955	0.026	2	119.9955	0.001	2	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CC)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CC)(CHH){1|H<1>}	H(CC[5]H)	117.0350	0.710	2	117.0350	0.504	2	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CHH){1|C<3>,1|H<1>,1|S<4>}	H(CC[5]H)	120.0085	0.015	2	120.0085	0.000	2	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHH){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]H)	119.9770	0.016	2	120.3644	0.854	10	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHH){2|C<3>,2|H<1>}	H(CC[5]H)	120.4613	1.022	8	120.3644	0.854	10	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHH){1|C<3>,1|C<4>,1|S<4>}	H(CC[5]H)	119.9995	0.062	4	119.9674	0.003	16	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHH){1|C<3>,1|H<1>,1|S<3>}	H(CC[5]H)	119.9526	0.053	10	119.9674	0.003	16	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHH){1|S<4>,2|H<1>}	H(CC[5]H)	119.9775	0.029	2	119.9674	0.003	16	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HP)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]HP)(CHH){1|C<3>,1|N<3>,2|H<1>}	H(CC[5]H)	119.9960	0.038	2	119.9960	0.001	2	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CHH){1|H<1>,2|C<3>}	H(CC[5]H)	120.0145	0.012	4	120.0145	0.000	4	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)2(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)2(CHH){1|C<3>,1|N<3>,2|H<1>}	H(CC[5]H)	120.0175	0.030	2	120.0018	0.001	4	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)2(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[5]HH)2(CHH){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	H(CC[5]H)	119.9860	0.045	2	120.0018	0.001	4	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CHH){3|C<3>}	H(CC[5]H)	119.5035	1.716	2	119.5035	2.945	2	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CHH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(CC[5]H)	120.4018	1.034	6	120.4018	1.070	6	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]N[5]CC)(C[5]N[5]HH)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]N[5]CC)(C[5]N[5]HH)(CHH)	H(CC[5]H)	120.0075	0.036	2	120.0075	0.001	2	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CC)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CC)(CHH){2|C<3>,2|H<1>,2|O<2>}	H(CC[5]H)	120.7605	0.418	2	120.7605	0.175	2	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(CHH){1|O<2>,2|C<3>,3|H<1>}	H(CC[5]H)	120.0457	0.016	4	120.0457	0.000	4	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]N[5a]C[5]H)(C[5]O[5]CH)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]N[5a]C[5]H)(C[5]O[5]CH)(CHH){2|C<3>,2|H<1>}	H(CC[5]H)	120.0135	0.026	2	120.0135	0.001	2	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]N[6a]C[5]H)(C[5]O[5]CH)(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]N[6a]C[5]H)(C[5]O[5]CH)(CHH){2|C<3>,2|H<1>}	H(CC[5]H)	120.0233	0.074	4	120.0233	0.006	4	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(H)2	C[5](C[5]S[5]HH)2(CHH)	H(CC[5]H)	C(C[5]C[5]2)(H)2	C[5](C[5]S[5]HH)2(CHH){2|Ru<6>}	H(CC[5]H)	119.9935	0.060	2	119.9935	0.004	2	120.1025	0.760	94	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:H-1:	Si[5]-4:Si[5]-4:C-3:	C-3:	C(C[5]Si[5]2)(H)2	C[5](Si[5]C[5,6a]CC)2(CHH)	H(CC[5]H)	C(C[5]Si[5]2)(H)2	C[5](Si[5]C[5,6a]CC)2(CHH){2|C<3>}	H(CC[5]H)	120.0040	0.022	4	120.0040	0.000	4	120.0040	0.000	4	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:1:1:	4:4:3:	3:	C[5]-3:H-1:I-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(H)(I)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CHI)	H(CC[5]I)	C(C[5]C[5,5]C[5])(H)(I)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]HH)(CHI){2|C<3>,3|H<1>}	H(CC[5]I)	118.0960	0.000	1	118.0960	0.000	1	118.0960	0.000	1	120.1869	0.947	281	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	2:2:3:	3:	C[5]-3:C-2:H-1:	S[5]-2:S[5]-2:C-3:	C-3:	C(C[5]S[5]2)(CC)(H)	C[5](S[5]C[5])2(CCH)	H(CC[5]C)	C(C[5]S[5]2)(CC)(H)	C[5](S[5]C[5])2(CCH){2|C<3>}	H(CC[5]C)	120.0180	1.082	2	120.0180	1.170	2	120.0180	1.170	2	119.4950	1.406	3	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	2:2:3:	3:	C[5]-3:N-2:H-1:	N[5]-2:N[5]-2:C-3:	C-3:	C(C[5]N[5]2)(NN)(H)	C[5](N[5]C[5])2(CHN)	H(CC[5]N)	C(C[5]N[5]2)(NN)(H)	C[5](N[5]C[5])2(CHN){2|H<1>}	H(CC[5]N)	118.4490	0.000	1	118.4490	0.000	1	118.4490	0.000	1	119.4950	1.406	3	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	3:2:3:	3:	C[5]-3:C-2:H-1:	C[5]-3:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(CN)(H)	C[5](C[5]N[5]Cl)(S[5]S[5])(CCH)	H(CC[5]C)	C(C[5]C[5]S[5])(CN)(H)	C[5](C[5]N[5]Cl)(S[5]S[5])(CCH)	H(CC[5]C)	119.1170	0.000	1	119.1170	0.000	1	119.1170	0.000	1	120.1263	1.684	19	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	3:2:3:	3:	C[5]-3:N-2:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(NC)(H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NC)(H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CHN){2|C<3>}	H(CC[5]N)	115.5110	0.000	1	115.5110	0.000	1	119.9571	2.084	13	120.1263	1.684	19	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	3:2:3:	3:	C[5]-3:N-2:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(NC)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NC)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CHN){1|C<3>,1|H<1>}	H(CC[5]N)	120.1815	0.230	2	120.1815	0.053	2	119.9571	2.084	13	120.1263	1.684	19	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	3:2:3:	3:	C[5]-3:N-2:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(NN)(H)	C[5](C[5]N[5]C)(N[5]O[5])(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NN)(H)	C[5](C[5]N[5]C)(N[5]O[5])(CHN){1|O<1>}	H(CC[5]N)	120.3568	0.623	10	120.3568	0.388	10	119.9571	2.084	13	120.1263	1.684	19	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	3:2:3:	3:	C[5]-3:N-2:H-1:	C[5]-3:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(NC[6])(H)	C[5](C[5]S[5]H)(S[5]C[5])(CHN)	H(CC[5]N)	C(C[5]C[5]S[5])(NC[6])(H)	C[5](C[5]S[5]H)(S[5]C[5])(CHN){1|C<3>}	H(CC[5]N)	120.2857	0.198	3	120.2857	0.039	3	120.6145	0.459	4	120.1263	1.684	19	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	3:2:3:	3:	C[5]-3:N-2:H-1:	C[5]-3:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(NC[6a])(H)	C[5](C[5]S[5]H)(S[5]C[5])(CHN)	H(CC[5]N)	C(C[5]C[5]S[5])(NC[6a])(H)	C[5](C[5]S[5]H)(S[5]C[5])(CHN){1|C<3>}	H(CC[5]N)	121.6010	0.000	1	121.6010	0.000	1	120.6145	0.459	4	120.1263	1.684	19	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	3:2:3:	3:	C[5]-3:O-2:H-1:	C[5,6a]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5,6a]O[5])(OS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHO)	H(CC[5]O)	C(C[5]C[5,6a]O[5])(OS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHO){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]O)	121.3830	0.000	1	121.3830	0.000	1	121.3830	0.000	1	120.1263	1.684	19	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	3:3:3:	3:	C[5]-3:C-2:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<4>,1|H<1>}	H(CC[5]C)	118.0070	0.000	1	118.0070	0.000	1	118.0070	0.000	1	119.3293	3.238	14	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	3:3:3:	3:	C[5]-3:N-2:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NC[6a])(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NC[6a])(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHN){2|H<1>}	H(CC[5]N)	116.6720	0.000	1	116.6720	0.000	1	116.6720	0.000	1	119.3293	3.238	14	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	3:3:3:	3:	C[5]-3:N-2:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NN)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NN)(H)	C[5](C[5]N[5]H)(N[5]C[5]H)(CHN){2|H<1>}	H(CC[5]N)	120.6410	0.000	1	120.6410	0.000	1	120.6410	0.000	1	119.3293	3.238	14	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	3:3:3:	3:	C[5]-3:N-2:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(NC[6a])(H)	C[5](N[5]C[6a]C[5])2(CHN)	H(CC[5]N)	C(C[5]N[5]2)(NC[6a])(H)	C[5](N[5]C[6a]C[5])2(CHN){2|H<1>,4|C<3>}	H(CC[5]N)	119.7370	0.000	1	119.7370	0.000	1	120.2782	0.500	8	119.3293	3.238	14	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	3:3:3:	3:	C[5]-3:N-2:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(NN)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(CHN)	H(CC[5]N)	C(C[5]N[5]2)(NN)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(CHN){2|H<1>}	H(CC[5]N)	119.5230	0.000	1	119.5230	0.000	1	120.2782	0.500	8	119.3293	3.238	14	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	3:3:3:	3:	C[5]-3:N-2:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(NN)(H)	C[5](N[5]C[5]H)2(CHN)	H(CC[5]N)	C(C[5]N[5]2)(NN)(H)	C[5](N[5]C[5]H)2(CHN){2|H<1>}	H(CC[5]N)	121.8490	0.000	1	121.8490	0.000	1	120.2782	0.500	8	119.3293	3.238	14	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	3:3:3:	3:	C[5]-3:N-2:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(NN)(H)	C[5](N[5]C[6a]C[5])2(CHN)	H(CC[5]N)	C(C[5]N[5]2)(NN)(H)	C[5](N[5]C[6a]C[5])2(CHN){2|H<1>,4|C<3>}	H(CC[5]N)	120.2234	0.195	5	120.2234	0.038	5	120.2782	0.500	8	119.3293	3.238	14	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	3:3:3:	3:	C[5]-3:N-2:H-1:	P[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]P[5])(NN)(H)	C[5](P[5]C[6a]C[5])(C[5]C[5]C)(CHN)	H(CC[5]N)	C(C[5]C[5]P[5])(NN)(H)	C[5](P[5]C[6a]C[5])(C[5]C[5]C)(CHN){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]N)	120.5070	0.000	1	120.5070	0.000	1	120.5070	0.000	1	119.3293	3.238	14	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	3:3:3:	3:	C[5]-3:Se-2:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(SeC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CSeH)	H(CC[5]Se)	C(C[5]C[5,6a]C[5])(SeC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CSeH){1|H<1>,3|C<3>}	H(CC[5]Se)	116.9320	0.000	1	116.9320	0.000	1	116.9320	0.000	1	119.3293	3.238	14	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	3:3:3:	3:	C[5]-3:Si-2:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(SiSi)(H)	C[5](N[5]C[6a]C[5])2(CSiH)	H(CC[5]Si)	C(C[5]N[5]2)(SiSi)(H)	C[5](N[5]C[6a]C[5])2(CSiH){2|C<4>,4|C<3>}	H(CC[5]Si)	115.6250	0.000	1	115.6250	0.000	1	115.6250	0.000	1	119.3293	3.238	14	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	4:2:3:	3:	C[5]-3:C-2:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(CC)(H)	C[5](C[5]C[5]HO)(O[5]C[5,6])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(CC)(H)	C[5](C[5]C[5]HO)(O[5]C[5,6])(CCH){1|C<4>,1|H<1>,2|O<2>}	H(CC[5]C)	117.4045	0.919	2	117.4045	0.844	2	117.4045	0.844	2	118.4110	1.667	4	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	4:2:3:	3:	C[5]-3:Se-2:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(SeC[6a])(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CSeH)	H(CC[5]Se)	C(C[5]C[5]O[5])(SeC[6a])(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CSeH){1|C<4>,1|O<1>}	H(CC[5]Se)	119.4175	0.323	2	119.4175	0.104	2	119.4175	0.104	2	118.4110	1.667	4	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	4:3:3:	3:	C[5]-3:C-2:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	H(CC[5]C)	116.6470	0.000	1	116.6470	0.000	1	117.7340	0.888	3	119.2966	3.517	20	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	4:3:3:	3:	C[5]-3:C-2:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH){1|C<3>,2|H<1>}	H(CC[5]C)	118.3180	0.000	1	118.3180	0.000	1	117.7340	0.888	3	119.2966	3.517	20	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	4:3:3:	3:	C[5]-3:C-2:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC)(H)	C[5](C[5]N[5]HH)(C[5]C[5]H)(CCH){1|S<4>,2|H<1>}	H(CC[5]C)	118.2370	0.000	1	118.2370	0.000	1	117.7340	0.888	3	119.2966	3.517	20	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	4:3:3:	3:	C[5]-3:N-2:H-1:	C[5,5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,5]C[5])(NN)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5,5]C[5])(NN)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CHN){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5]N)	121.7140	0.000	1	121.7140	0.000	1	121.7140	0.000	1	119.2966	3.517	20	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	4:3:3:	3:	C[5]-3:N-2:H-1:	C[5,6]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(NN)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]H)(CHN)	H(CC[5]N)	C(C[5]C[5,6]C[5])(NN)(H)	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]H)(CHN){3|H<1>,4|C<4>}	H(CC[5]N)	119.0110	0.000	1	119.0110	0.000	1	119.0110	0.000	1	119.2966	3.517	20	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	4:3:3:	3:	C[5]-3:N-2:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]P)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]P)(CHN){4|H<1>}	H(CC[5]N)	119.9055	0.298	2	119.9055	0.089	2	120.2840	0.474	3	119.2966	3.517	20	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	4:3:3:	3:	C[5]-3:N-2:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NN)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NN)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CHN){1|C<3>}	H(CC[5]N)	121.0410	0.000	1	121.0410	0.000	1	120.2840	0.474	3	119.2966	3.517	20	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	4:3:3:	3:	C[5]-3:N-2:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NN)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NN)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CHN){2|C<3>}	H(CC[5]N)	120.0100	0.857	2	120.0100	0.734	2	120.0100	0.734	2	119.2966	3.517	20	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	4:3:3:	3:	C[5]-3:N-2:H-1:	S[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]S[5])(NN[5a])(H)	C[5](S[5]O[5]OO)(C[5]C[5]S)(CHN)	H(CC[5]N)	C(C[5]C[5]S[5])(NN[5a])(H)	C[5](S[5]O[5]OO)(C[5]C[5]S)(CHN){2|C<4>}	H(CC[5]N)	114.2580	0.000	1	114.2580	0.000	1	114.2580	0.000	1	119.2966	3.517	20	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	4:3:3:	3:	C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,5]C[5])(OC[5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CHO)	H(CC[5]O)	C(C[5]C[5,5]C[5])(OC[5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CHO){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]O)	121.4160	0.000	1	120.2047	0.748	6	120.0970	0.776	8	119.2966	3.517	20	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	4:3:3:	3:	C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,5]C[5])(OC[5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CHO)	H(CC[5]O)	C(C[5]C[5,5]C[5])(OC[5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CHO){1|O<2>,2|C<3>,2|H<1>}	H(CC[5]O)	119.7153	0.558	3	120.2047	0.748	6	120.0970	0.776	8	119.2966	3.517	20	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	4:3:3:	3:	C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,5]C[5])(OC[5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CHO)	H(CC[5]O)	C(C[5]C[5,5]C[5])(OC[5])(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CHO){2|C<3>,3|H<1>}	H(CC[5]O)	120.3330	0.949	2	120.2047	0.748	6	120.0970	0.776	8	119.2966	3.517	20	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	4:3:3:	3:	C[5]-3:O-2:H-1:	C[5,5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,5]C[5])(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CHO)	H(CC[5]O)	C(C[5]C[5,5]C[5])(OH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CHO){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]O)	119.7740	1.189	2	119.7740	1.415	2	120.0970	0.776	8	119.2966	3.517	20	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	4:3:3:	3:	C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(OC)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(CHO)	H(CC[5]O)	C(C[5]C[5]2)(OC)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(CHO){2|C<3>}	H(CC[5]O)	116.0990	0.000	1	116.0990	0.000	1	116.0990	0.000	1	119.2966	3.517	20	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	4:4:3:	3:	C[5]-3:C-2:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5,6]C[5])(CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CCH){1|C<4>,2|C<3>,2|H<1>}	H(CC[5]C)	117.4430	0.144	2	117.4430	0.021	2	118.1077	2.178	4	116.8155	5.459	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	4:4:3:	3:	C[5]-3:C-2:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(CN)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(CCH)	H(CC[5]C)	C(C[5]C[5,6]C[5])(CN)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(CCH){1|S<4>,2|C<4>,6|H<1>}	H(CC[5]C)	117.2320	0.000	1	117.2320	0.000	1	118.1077	2.178	4	116.8155	5.459	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	4:4:3:	3:	C[5]-3:C-2:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(COs)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5,6]C[5])(COs)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH){2|C<4>,5|H<1>}	H(CC[5]C)	120.3130	0.000	1	120.3130	0.000	1	118.1077	2.178	4	116.8155	5.459	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	4:4:3:	3:	C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5,3x6]HO)(C[5]N[5,6,6]CH)(CHO)	H(CC[5]O)	C(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5,3x6]HO)(C[5]N[5,6,6]CH)(CHO){1|S<2>,2|C<3>}	H(CC[5]O)	114.1900	0.000	1	114.1900	0.000	1	116.0770	6.259	7	116.8155	5.459	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	4:4:3:	3:	C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(CHO)	H(CC[5]O)	C(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(CHO){1|H<1>,2|C<3>}	H(CC[5]O)	119.3240	2.455	2	116.3915	6.680	6	116.0770	6.259	7	116.8155	5.459	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	4:4:3:	3:	C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(CHO)	H(CC[5]O)	C(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(CHO){1|O<2>,2|C<3>}	H(CC[5]O)	114.7785	0.333	2	116.3915	6.680	6	116.0770	6.259	7	116.8155	5.459	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:2:1:	4:4:3:	3:	C[5]-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(CHO)	H(CC[5]O)	C(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(CHO){1|S<2>,2|C<3>}	H(CC[5]O)	115.0720	1.174	2	116.3915	6.680	6	116.0770	6.259	7	116.8155	5.459	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	2:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-2:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(CCC)(H)	C[5](C[5]C[5])(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(CCC)(H)	C[5](C[5]C[5])(O[5]C[5])(CCH){2|H<1>}	H(CC[5]C)	110.2380	0.000	1	110.2380	0.000	1	110.2380	0.000	1	116.4299	5.069	29	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	2:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-2:N[5]-2:C-3:	C-3:	C(C[5]N[5]2)(CC[6a]O)(H)	C[5](N[5]C[5])2(CCH)	H(CC[5]C)	C(C[5]N[5]2)(CC[6a]O)(H)	C[5](N[5]C[5])2(CCH){4|H<1>}	H(CC[5]C)	118.9800	0.000	1	118.9800	0.000	1	118.9800	0.000	1	116.4299	5.069	29	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	2:2:3:	3:	C[5]-3:C-3:H-1:	O[5]-2:S[5]-2:C-3:	C-3:	C(C[5]O[5]S[5])(COO)(H)	C[5](O[5]C[5,6a])(S[5]C[5,6a])(CCH)	H(CC[5]C)	C(C[5]O[5]S[5])(COO)(H)	C[5](O[5]C[5,6a])(S[5]C[5,6a])(CCH){2|C<3>}	H(CC[5]C)	120.0510	0.000	1	120.0510	0.000	1	120.0510	0.000	1	116.4299	5.069	29	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	2:2:3:	3:	C[5]-3:C-3:H-1:	S[5]-2:S[5]-2:C-3:	C-3:	C(C[5]S[5]2)(CCO)(H)	C[5](S[5]C[5])2(CCH)	H(CC[5]C)	C(C[5]S[5]2)(CCO)(H)	C[5](S[5]C[5])2(CCH){4|H<1>}	H(CC[5]C)	118.3270	0.242	3	118.3270	0.058	3	117.8448	0.465	5	116.4299	5.069	29	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	2:2:3:	3:	C[5]-3:C-3:H-1:	S[5]-2:S[5]-2:C-3:	C-3:	C(C[5]S[5]2)(CCS)(H)	C[5](S[5]C[5])2(CCH)	H(CC[5]C)	C(C[5]S[5]2)(CCS)(H)	C[5](S[5]C[5])2(CCH){1|C<3>,1|H<1>}	H(CC[5]C)	117.1130	0.000	1	117.1130	0.000	1	117.8448	0.465	5	116.4299	5.069	29	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	2:2:3:	3:	C[5]-3:C-3:H-1:	S[5]-2:S[5]-2:C-3:	C-3:	C(C[5]S[5]2)(CSS)(H)	C[5](S[5]C[5])2(CCH)	H(CC[5]C)	C(C[5]S[5]2)(CSS)(H)	C[5](S[5]C[5])2(CCH){1|C<3>,1|H<1>}	H(CC[5]C)	117.1300	0.000	1	117.1300	0.000	1	117.8448	0.465	5	116.4299	5.069	29	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	2:2:3:	3:	C[5]-3:C[6a]-3:H-1:	N[5]-2:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)	C[5](N[5]C[5])(O[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)	C[5](N[5]C[5])(O[5]C[5])(CC[6a]H){1|C<4>,1|O<1>}	H(CC[6a]C[5])	115.2140	0.000	1	115.0360	0.063	2	115.0360	0.063	2	116.4299	5.069	29	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	2:2:3:	3:	C[5]-3:C[6a]-3:H-1:	N[5]-2:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)	C[5](N[5]C[5])(O[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)	C[5](N[5]C[5])(O[5]C[5])(CC[6a]H){1|H<1>,1|O<1>}	H(CC[6a]C[5])	114.8580	0.000	1	115.0360	0.063	2	115.0360	0.063	2	116.4299	5.069	29	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	2:2:3:	3:	C[5]-3:N-3:H-1:	C[5]-2:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(NCoN)(H)	C[5](C[5]C[5])(S[5]C[5])(CHN)	H(CC[5]N)	C(C[5]C[5]S[5])(NCoN)(H)	C[5](C[5]C[5])(S[5]C[5])(CHN){1|H<1>}	H(CC[5]N)	115.9120	0.000	1	115.2760	0.809	2	115.2760	0.809	2	116.4299	5.069	29	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	2:2:3:	3:	C[5]-3:N-3:H-1:	C[5]-2:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(NCoN)(H)	C[5](C[5]C[5])(S[5]C[5])(CHN)	H(CC[5]N)	C(C[5]C[5]S[5])(NCoN)(H)	C[5](C[5]C[5])(S[5]C[5])(CHN){2|H<1>}	H(CC[5]N)	114.6400	0.000	1	115.2760	0.809	2	115.2760	0.809	2	116.4299	5.069	29	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	2:2:3:	3:	C[5]-3:N-3:H-1:	S[5]-2:S[5]-2:C-3:	C-3:	C(C[5]S[5]2)(NOO)(H)	C[5](S[5]C[5])(S[5]N[5])(CHN)	H(CC[5]N)	C(C[5]S[5]2)(NOO)(H)	C[5](S[5]C[5])(S[5]N[5])(CHN){1|N<3>}	H(CC[5]N)	120.6920	0.000	1	120.6920	0.000	1	119.9040	1.242	2	116.4299	5.069	29	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	2:2:3:	3:	C[5]-3:N-3:H-1:	S[5]-2:S[5]-2:C-3:	C-3:	C(C[5]S[5]2)(NOO)(H)	C[5](S[5]C[5])2(CHN)	H(CC[5]N)	C(C[5]S[5]2)(NOO)(H)	C[5](S[5]C[5])2(CHN){1|C<4>,3|H<1>}	H(CC[5]N)	119.1160	0.000	1	119.1160	0.000	1	119.9040	1.242	2	116.4299	5.069	29	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	2:2:3:	3:	C[5a]-3:C[5]-3:H-1:	N[5]-2:O[5]-2:C-3:	C-3:	C(C[5a]C[5a,6a]O[5a])(C[5]N[5]O[5])(H)	C[5](N[5]C[5])(O[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a,6a]O[5a])(C[5]N[5]O[5])(H)	C[5](N[5]C[5])(O[5]C[5])(CC[5a]H){1|C<3>,3|H<1>}	H(CC[5a]C[5])	115.7845	3.849	2	115.2458	5.506	4	116.2391	4.064	8	116.4299	5.069	29	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	2:2:3:	3:	C[5a]-3:C[5]-3:H-1:	N[5]-2:O[5]-2:C-3:	C-3:	C(C[5a]C[5a,6a]O[5a])(C[5]N[5]O[5])(H)	C[5](N[5]C[5])(O[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a,6a]O[5a])(C[5]N[5]O[5])(H)	C[5](N[5]C[5])(O[5]C[5])(CC[5a]H){1|C<4>,3|H<1>}	H(CC[5a]C[5])	114.7070	0.738	2	115.2458	5.506	4	116.2391	4.064	8	116.4299	5.069	29	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	2:2:3:	3:	C[5a]-3:C[5]-3:H-1:	N[5]-2:O[5]-2:C-3:	C-3:	C(C[5a]C[5a,6a]S[5a])(C[5]N[5]O[5])(H)	C[5](N[5]C[5])(O[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a,6a]S[5a])(C[5]N[5]O[5])(H)	C[5](N[5]C[5])(O[5]C[5])(CC[5a]H){1|C<3>,3|H<1>}	H(CC[5a]C[5])	117.2325	1.159	4	117.2325	1.344	4	116.2391	4.064	8	116.4299	5.069	29	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[5]-3:H-1:	S[5]-2:S[5]-2:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]S[5]2)(H)	C[5](S[5]C[5])2(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]S[5]2)(H)	C[5](S[5]C[5])2(CC[6a]H){2|C<3>}	H(CC[6a]C[5])	115.1230	0.000	1	115.1385	0.088	6	115.3756	0.467	7	116.4299	5.069	29	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[5]-3:H-1:	S[5]-2:S[5]-2:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]S[5]2)(H)	C[5](S[5]C[5])2(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]S[5]2)(H)	C[5](S[5]C[5])2(CC[6a]H){2|C<4>}	H(CC[6a]C[5])	115.1330	0.000	1	115.1385	0.088	6	115.3756	0.467	7	116.4299	5.069	29	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[5]-3:H-1:	S[5]-2:S[5]-2:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]S[5]2)(H)	C[5](S[5]C[5])2(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]S[5]2)(H)	C[5](S[5]C[5])2(CC[6a]H){2|S<2>}	H(CC[6a]C[5])	115.1437	0.383	4	115.1385	0.088	6	115.3756	0.467	7	116.4299	5.069	29	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	2:2:3:	3:	C[6a]-3:C[5]-3:H-1:	S[5]-2:S[5]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[5]S[5]2)(H)	C[5](S[5]C[5])2(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]N[6a])(C[5]S[5]2)(H)	C[5](S[5]C[5])2(CC[6a]H){2|C<4>}	H(CC[6a]C[5])	116.7980	0.000	1	116.7980	0.000	1	115.3756	0.467	7	116.4299	5.069	29	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	2:3:3:	3:	C[5]-3:C[6a]-3:H-1:	O[5]-2:C[5]-3:C-3:	C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](O[5]C[5,5])(C[5]C[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](O[5]C[5,5])(C[5]C[5]O)(CC[6a]H){2|C<3>,2|H<1>}	H(CC[6a]C[5])	114.9840	0.000	1	114.9840	0.000	1	114.9840	0.000	1	115.4777	0.291	3	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	2:3:3:	3:	C[5]-3:C[6a]-3:H-1:	S[5]-2:C[5]-3:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](S[5]C[5,5,6])(C[5]N[5,6]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](S[5]C[5,5,6])(C[5]N[5,6]O)(CC[6a]H){1|C<4>,1|N<3>,1|O<2>}	H(CC[6a]C[5])	116.0530	0.000	1	116.0530	0.000	1	115.7245	0.216	2	115.4777	0.291	3	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	2:3:3:	3:	C[5]-3:C[6a]-3:H-1:	S[5]-2:C[5]-3:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](S[5]C[5,5])(C[5]N[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](S[5]C[5,5])(C[5]N[5]O)(CC[6a]H){1|C<3>,1|N<3>,1|S<2>}	H(CC[6a]C[5])	115.3960	0.000	1	115.3960	0.000	1	115.7245	0.216	2	115.4777	0.291	3	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5,6a]N[5])(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCH)	H(CC[5]C)	C(C[5]C[5,6a]N[5])(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCH){1|H<1>,2|C<3>,2|O<1>}	H(CC[5]C)	118.2680	0.000	1	118.2680	0.000	1	118.2680	0.000	1	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5,6a]O[5])(CC[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5,6a]O[5])(CC[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]C)	117.9680	0.000	1	117.9680	0.000	1	117.7867	0.529	3	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5,6a]O[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5,6a]O[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]C)	118.4060	0.000	1	117.6960	1.008	2	117.7867	0.529	3	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5,6a]O[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5,6a]O[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH){2|C<3>,3|H<1>}	H(CC[5]C)	116.9860	0.000	1	117.6960	1.008	2	117.7867	0.529	3	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CCH){1|C<3>,1|N<3>}	H(CC[5]C)	111.0360	0.000	1	111.0360	0.000	1	115.1282	6.538	15	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](C[5]C[6a]C[5])(N[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](C[5]C[6a]C[5])(N[5]C[5])(CCH){4|C<3>}	H(CC[5]C)	120.2665	0.460	2	120.2665	0.212	2	115.1282	6.538	15	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](C[5]N[5]C)(N[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](C[5]N[5]C)(N[5]C[5])(CCH){1|C<3>}	H(CC[5]C)	116.3255	0.067	2	116.3255	0.005	2	115.1282	6.538	15	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(CC[5]H)(H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[5]H)(H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CCH){2|C<3>}	H(CC[5]C)	114.3115	0.023	2	114.3115	0.001	2	115.1282	6.538	15	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(CC[5]H)(H)	C[5](C[5]C[5]O)(N[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[5]H)(H)	C[5](C[5]C[5]O)(N[5]C[5])(CCH){1|Cl<1>,1|C<3>}	H(CC[5]C)	114.1020	0.229	2	114.1020	0.052	2	115.1282	6.538	15	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(CC[5a]H)(H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[5a]H)(H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CCH){2|C<3>}	H(CC[5]C)	113.6940	0.000	1	113.6940	0.000	1	115.1282	6.538	15	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(CC[5a]H)(H)	C[5](C[5]C[5]C)(N[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[5a]H)(H)	C[5](C[5]C[5]C)(N[5]C[5])(CCH){1|Br<1>,1|C<3>}	H(CC[5]C)	113.8820	0.000	1	113.7240	0.050	2	115.1282	6.538	15	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(CC[5a]H)(H)	C[5](C[5]C[5]C)(N[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[5a]H)(H)	C[5](C[5]C[5]C)(N[5]C[5])(CCH){1|C<3>,1|C<4>}	H(CC[5]C)	113.5660	0.000	1	113.7240	0.050	2	115.1282	6.538	15	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(CC[5a]H)(H)	C[5](C[5]C[5]Cl)(N[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[5a]H)(H)	C[5](C[5]C[5]Cl)(N[5]C[5])(CCH){1|C<3>,1|O<2>}	H(CC[5]C)	114.4670	0.000	1	114.4670	0.000	1	115.1282	6.538	15	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(CC[5a]H)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[5a]H)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CCH){1|C<3>,1|C<4>}	H(CC[5]C)	113.0220	0.000	1	113.0220	0.000	1	115.1282	6.538	15	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(CHH)(H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CHH)(H)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a])(CCH){2|C<3>}	H(CC[5]C)	117.2450	0.000	1	117.2450	0.000	1	115.1282	6.538	15	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(CC[5]H)(H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(CC[5]H)(H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCH){1|C<2>,1|O<1>,2|C<3>}	H(CC[5]C)	117.4190	0.000	1	117.4190	0.000	1	116.5794	2.480	11	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(CC[6a]H)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(CC[6a]H)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCH){4|H<1>}	H(CC[5]C)	117.1780	0.000	1	117.1780	0.000	1	116.5794	2.480	11	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(COO)(H)	C[5](C[5]C[5]Br)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(COO)(H)	C[5](C[5]C[5]Br)(O[5]C[5])(CCH){1|C<4>,1|O<1>}	H(CC[5]C)	115.8687	0.940	6	115.8687	0.885	6	116.5794	2.480	11	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(COO)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(COO)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCH){1|Br<1>,1|O<1>}	H(CC[5]C)	115.7320	0.000	1	116.0240	0.171	2	116.5794	2.480	11	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(COO)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(COO)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCH){1|C<4>,1|O<1>}	H(CC[5]C)	116.3160	0.000	1	116.0240	0.171	2	116.5794	2.480	11	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(COO)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(COO)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCH){1|C<4>,1|O<1>}	H(CC[5]C)	120.5160	0.000	1	120.5160	0.000	1	116.5794	2.480	11	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(CC[5]H)(H)	C[5](C[5]S[5]H)(S[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]S[5])(CC[5]H)(H)	C[5](C[5]S[5]H)(S[5]C[5])(CCH){1|C<3>}	H(CC[5]C)	116.5540	1.693	2	116.5540	2.866	2	117.6713	1.685	6	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(CC[6]H)(H)	C[5](C[5]S[5]H)(S[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]S[5])(CC[6]H)(H)	C[5](C[5]S[5]H)(S[5]C[5])(CCH){1|C<3>}	H(CC[5]C)	117.2320	0.000	1	117.2320	0.000	1	117.6713	1.685	6	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(CC[6a]H)(H)	C[5](C[5]S[5]C)(S[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]S[5])(CC[6a]H)(H)	C[5](C[5]S[5]C)(S[5]C[5])(CCH){1|C<3>}	H(CC[5]C)	118.2510	0.000	1	118.2510	0.000	1	117.6713	1.685	6	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(CC[6a]O)(H)	C[5](C[5]C[5]C)(S[5]S[5])(CCH)	H(CC[5]C)	C(C[5]C[5]S[5])(CC[6a]O)(H)	C[5](C[5]C[5]C)(S[5]S[5])(CCH){1|S<2>}	H(CC[5]C)	118.3050	0.000	1	118.3050	0.000	1	117.6713	1.685	6	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(COO)(H)	C[5](C[5]N[5]O)(S[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]S[5])(COO)(H)	C[5](C[5]N[5]O)(S[5]C[5])(CCH){1|N<3>}	H(CC[5]C)	119.1320	0.000	1	119.1320	0.000	1	117.6713	1.685	6	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:Se[5]-2:C-3:	C-3:	C(C[5]Se[5]C[5])(CC[6a]H)(H)	C[5](C[5]C[5]H)(Se[5]P[5])(CCH)	H(CC[5]C)	C(C[5]Se[5]C[5])(CC[6a]H)(H)	C[5](C[5]C[5]H)(Se[5]P[5])(CCH){1|Se<1>,1|H<1>,2|C<3>}	H(CC[5]C)	117.0570	0.000	1	117.0570	0.000	1	117.0570	0.000	1	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5,5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5,5]O[5])(CC[6a]C)(H)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]N[5,5]O[5])(CC[6a]C)(H)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CCH){2|C<4>,5|H<1>}	H(CC[5]C)	116.5030	0.000	1	116.5030	0.000	1	116.5030	0.000	1	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(CC[5a]H)(H)	C[5](N[5]C[5]Fe)(C[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[5a]H)(H)	C[5](N[5]C[5]Fe)(C[5]C[5])(CCH){1|C<3>,1|C<4>}	H(CC[5]C)	111.3420	0.000	1	111.3420	0.000	1	111.3420	0.000	1	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:N[5]-2:C-3:	C-3:	C(C[5]N[5]2)(CCH)(H)	C[5](N[5]C[5]N)(N[5]N[5])(CCH)	H(CC[5]C)	C(C[5]N[5]2)(CCH)(H)	C[5](N[5]C[5]N)(N[5]N[5])(CCH){1|H<1>,1|N<3>}	H(CC[5]C)	112.4230	4.558	2	112.4230	20.775	2	116.8634	7.589	14	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:N[5]-2:C-3:	C-3:	C(C[5]N[5]2)(CCH)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5])(CCH)	H(CC[5]C)	C(C[5]N[5]2)(CCH)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5])(CCH){1|O<1>,3|C<3>}	H(CC[5]C)	118.3000	0.000	1	118.3000	0.000	1	116.8634	7.589	14	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:N[5]-2:C-3:	C-3:	C(C[5]N[5]2)(CC[5]H)(H)	C[5](N[5]C[5]N)(N[5]N[5])(CCH)	H(CC[5]C)	C(C[5]N[5]2)(CC[5]H)(H)	C[5](N[5]C[5]N)(N[5]N[5])(CCH){1|H<1>,1|N<3>}	H(CC[5]C)	117.6667	1.779	9	117.6667	3.165	9	116.8634	7.589	14	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:N[5]-2:C-3:	C-3:	C(C[5]N[5]2)(CC[5a]H)(H)	C[5](N[5]C[5]N)(N[5]N[5])(CCH)	H(CC[5]C)	C(C[5]N[5]2)(CC[5a]H)(H)	C[5](N[5]C[5]N)(N[5]N[5])(CCH){1|H<1>,1|N<3>}	H(CC[5]C)	115.3540	0.000	1	115.3540	0.000	1	116.8634	7.589	14	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:N[5]-2:C-3:	C-3:	C(C[5]N[5]2)(CC[6a]O)(H)	C[5](N[5]C[5]C)(N[5]C[5])(CCH)	H(CC[5]C)	C(C[5]N[5]2)(CC[6a]O)(H)	C[5](N[5]C[5]C)(N[5]C[5])(CCH){4|H<1>}	H(CC[5]C)	118.5870	0.000	1	118.5870	0.000	1	116.8634	7.589	14	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])(CCN)(H)	C[5](N[5]C[5]Zn)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]N[5]O[5])(CCN)(H)	C[5](N[5]C[5]Zn)(O[5]C[5])(CCH){1|C<4>,3|H<1>}	H(CC[5]C)	116.4780	0.129	2	116.4780	0.017	2	118.8026	1.348	30	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])(CCO)(H)	C[5](N[5]C[5,6a]Al)(O[5]C[5,6a])(CCH)	H(CC[5]C)	C(C[5]N[5]O[5])(CCO)(H)	C[5](N[5]C[5,6a]Al)(O[5]C[5,6a])(CCH){2|C<3>}	H(CC[5]C)	120.6965	0.257	2	120.6965	0.066	2	118.8026	1.348	30	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])(CCO)(H)	C[5](N[5]C[5]Al)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]N[5]O[5])(CCO)(H)	C[5](N[5]C[5]Al)(O[5]C[5])(CCH){2|C<4>}	H(CC[5]C)	120.4383	0.375	3	120.4383	0.141	3	118.8026	1.348	30	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])(CCO)(H)	C[5](N[5]C[5]Co)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]N[5]O[5])(CCO)(H)	C[5](N[5]C[5]Co)(O[5]C[5])(CCH){2|C<4>}	H(CC[5]C)	118.6770	0.054	2	118.6770	0.003	2	118.8026	1.348	30	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])(CCO)(H)	C[5](N[5]C[5]H)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]N[5]O[5])(CCO)(H)	C[5](N[5]C[5]H)(O[5]C[5])(CCH){2|C<4>,2|H<1>}	H(CC[5]C)	118.6300	0.000	1	118.6300	0.000	1	118.8026	1.348	30	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])(CC[5]H)(H)	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCH)	H(CC[5]C)	C(C[5]N[5]O[5])(CC[5]H)(H)	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCH){2|C<3>}	H(CC[5]C)	119.3410	0.000	1	119.3410	0.000	1	118.8026	1.348	30	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])(CC[5a]O)(H)	C[5](N[5]C[5]Ni)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]N[5]O[5])(CC[5a]O)(H)	C[5](N[5]C[5]Ni)(O[5]C[5])(CCH){2|C<4>,2|H<1>}	H(CC[5]C)	118.6170	0.238	2	118.6170	0.056	2	118.8026	1.348	30	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])(CC[6a]H)(H)	C[5](N[5]C[5,6a]Co)(O[5]C[5,6a])(CCH)	H(CC[5]C)	C(C[5]N[5]O[5])(CC[6a]H)(H)	C[5](N[5]C[5,6a]Co)(O[5]C[5,6a])(CCH){2|C<3>}	H(CC[5]C)	117.7883	0.188	3	117.7883	0.035	3	118.8026	1.348	30	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])(CC[6a]O)(H)	C[5](N[5]C[5,5]H)(O[5]C[5,5])(CCH)	H(CC[5]C)	C(C[5]N[5]O[5])(CC[6a]O)(H)	C[5](N[5]C[5,5]H)(O[5]C[5,5])(CCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]C)	120.1060	0.000	1	120.1060	0.000	1	118.8026	1.348	30	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])(CC[6a]O)(H)	C[5](N[5]C[5]C)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]N[5]O[5])(CC[6a]O)(H)	C[5](N[5]C[5]C)(O[5]C[5])(CCH){2|C<4>,2|H<1>}	H(CC[5]C)	117.1470	0.178	2	117.1470	0.032	2	118.8026	1.348	30	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])(CC[6a]O)(H)	C[5](N[5]C[5]Cu)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]N[5]O[5])(CC[6a]O)(H)	C[5](N[5]C[5]Cu)(O[5]C[5])(CCH){2|C<4>,2|H<1>}	H(CC[5]C)	118.8790	0.206	2	118.8790	0.043	2	118.8026	1.348	30	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])(CC[6a]O)(H)	C[5](N[5]C[5]H)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]N[5]O[5])(CC[6a]O)(H)	C[5](N[5]C[5]H)(O[5]C[5])(CCH){2|C<4>,2|H<1>}	H(CC[5]C)	119.3960	0.407	3	119.3960	0.166	3	118.8026	1.348	30	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])(CC[6a]O)(H)	C[5](N[5]C[5]Ni)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]N[5]O[5])(CC[6a]O)(H)	C[5](N[5]C[5]Ni)(O[5]C[5])(CCH){2|C<4>,2|H<1>}	H(CC[5]C)	118.6908	0.264	6	118.6908	0.070	6	118.8026	1.348	30	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(CCH)(H)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCH)	H(CC[5]C)	C(C[5]N[5]S[5])(CCH)(H)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCH){2|C<3>}	H(CC[5]C)	117.9182	0.592	6	117.9182	0.350	6	118.3806	4.734	53	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(CCO)(H)	C[5](N[5]C[5,6a]Cu)(S[5]C[5,6a])(CCH)	H(CC[5]C)	C(C[5]N[5]S[5])(CCO)(H)	C[5](N[5]C[5,6a]Cu)(S[5]C[5,6a])(CCH){2|C<3>}	H(CC[5]C)	117.8715	0.104	2	117.8715	0.011	2	118.3806	4.734	53	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(CCO)(H)	C[5](N[5]C[5,6a]Zn)(S[5]C[5,6a])(CCH)	H(CC[5]C)	C(C[5]N[5]S[5])(CCO)(H)	C[5](N[5]C[5,6a]Zn)(S[5]C[5,6a])(CCH){2|C<3>}	H(CC[5]C)	114.3853	5.864	3	114.3853	34.387	3	118.3806	4.734	53	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(CCO)(H)	C[5](N[5]C[5]Fe)(S[5]C[5])(CCH)	H(CC[5]C)	C(C[5]N[5]S[5])(CCO)(H)	C[5](N[5]C[5]Fe)(S[5]C[5])(CCH){2|C<4>}	H(CC[5]C)	118.3125	0.247	4	118.3125	0.061	4	118.3806	4.734	53	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(CCO)(H)	C[5](N[5]C[6a]C[5])(S[5]C[5])(CCH)	H(CC[5]C)	C(C[5]N[5]S[5])(CCO)(H)	C[5](N[5]C[6a]C[5])(S[5]C[5])(CCH){1|H<1>,1|O<1>,3|C<3>}	H(CC[5]C)	119.6240	0.000	1	119.6240	0.000	1	118.3806	4.734	53	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(CC[5]H)(H)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCH)	H(CC[5]C)	C(C[5]N[5]S[5])(CC[5]H)(H)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCH){2|C<3>}	H(CC[5]C)	118.5655	0.622	2	118.5655	0.386	2	118.3806	4.734	53	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(CC[5]H)(H)	C[5](N[5]C[5,6a]Cu)(S[5]C[5,6a])(CCH)	H(CC[5]C)	C(C[5]N[5]S[5])(CC[5]H)(H)	C[5](N[5]C[5,6a]Cu)(S[5]C[5,6a])(CCH){2|C<3>}	H(CC[5]C)	117.0880	0.205	2	117.0880	0.042	2	118.3806	4.734	53	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(CC[5a]H)(H)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCH)	H(CC[5]C)	C(C[5]N[5]S[5])(CC[5a]H)(H)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCH){2|C<3>}	H(CC[5]C)	118.6705	0.609	2	118.6705	0.371	2	118.3806	4.734	53	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(CC[6]H)(H)	C[5](N[5]C[5,6]C)(S[5]C[5,6])(CCH)	H(CC[5]C)	C(C[5]N[5]S[5])(CC[6]H)(H)	C[5](N[5]C[5,6]C)(S[5]C[5,6])(CCH){1|C<2>,1|C<3>}	H(CC[5]C)	116.5270	0.000	1	116.5270	0.000	1	118.3806	4.734	53	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(CC[6a]C)(H)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCH)	H(CC[5]C)	C(C[5]N[5]S[5])(CC[6a]C)(H)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCH){2|C<3>}	H(CC[5]C)	117.0400	0.000	1	117.0400	0.000	1	118.3806	4.734	53	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(CC[6a]H)(H)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCH)	H(CC[5]C)	C(C[5]N[5]S[5])(CC[6a]H)(H)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CCH){2|C<3>}	H(CC[5]C)	118.1566	1.948	13	118.1566	3.796	13	118.3806	4.734	53	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(CC[6a]Ir)(H)	C[5](N[5]C[5,6a]Ir)(S[5]C[5,6a])(CCH)	H(CC[5]C)	C(C[5]N[5]S[5])(CC[6a]Ir)(H)	C[5](N[5]C[5,6a]Ir)(S[5]C[5,6a])(CCH){2|C<3>}	H(CC[5]C)	122.9385	0.298	2	122.9385	0.089	2	118.3806	4.734	53	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(CC[6a]N)(H)	C[5](N[5]C[6a]N[5])(S[5]C[5])(CCH)	H(CC[5]C)	C(C[5]N[5]S[5])(CC[6a]N)(H)	C[5](N[5]C[6a]N[5])(S[5]C[5])(CCH){3|C<3>}	H(CC[5]C)	118.8690	0.819	2	118.8690	0.670	2	118.3806	4.734	53	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(CC[6a]O)(H)	C[5](N[5]C[5]C)(S[5]C[5])(CCH)	H(CC[5]C)	C(C[5]N[5]S[5])(CC[6a]O)(H)	C[5](N[5]C[5]C)(S[5]C[5])(CCH){2|C<4>}	H(CC[5]C)	119.7920	0.000	1	119.7920	0.000	1	118.3806	4.734	53	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(CC[6a]O)(H)	C[5](N[5]C[6a]C[5])(S[5]C[5])(CCH)	H(CC[5]C)	C(C[5]N[5]S[5])(CC[6a]O)(H)	C[5](N[5]C[6a]C[5])(S[5]C[5])(CCH){1|C<4>,3|C<3>}	H(CC[5]C)	121.7780	0.000	1	119.2804	1.969	5	118.3806	4.734	53	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(CC[6a]O)(H)	C[5](N[5]C[6a]C[5])(S[5]C[5])(CCH)	H(CC[5]C)	C(C[5]N[5]S[5])(CC[6a]O)(H)	C[5](N[5]C[6a]C[5])(S[5]C[5])(CCH){2|C<3>,4|H<1>}	H(CC[5]C)	118.6560	0.162	4	119.2804	1.969	5	118.3806	4.734	53	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(CC[6a]O)(H)	C[5](N[5]C[6a]C[5])(S[5]S[5])(CCH)	H(CC[5]C)	C(C[5]N[5]S[5])(CC[6a]O)(H)	C[5](N[5]C[6a]C[5])(S[5]S[5])(CCH){3|C<3>}	H(CC[5]C)	120.4125	0.077	2	120.4125	0.006	2	118.3806	4.734	53	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(CHN)(H)	C[5](N[5]C[5]C)(S[5]C[5])(CCH)	H(CC[5]C)	C(C[5]N[5]S[5])(CHN)(H)	C[5](N[5]C[5]C)(S[5]C[5])(CCH){1|C<4>,1|H<1>}	H(CC[5]C)	117.9790	0.000	1	117.9790	0.000	1	118.3806	4.734	53	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(CNO)(H)	C[5](N[5]C[5]H)(S[5]C[5])(CCH)	H(CC[5]C)	C(C[5]N[5]S[5])(CNO)(H)	C[5](N[5]C[5]H)(S[5]C[5])(CCH){1|O<1>,2|H<1>}	H(CC[5]C)	119.0840	0.000	1	119.0840	0.000	1	118.3806	4.734	53	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(CN[6]O)(H)	C[5](N[5]C[5]H)(S[5]C[5])(CCH)	H(CC[5]C)	C(C[5]N[5]S[5])(CN[6]O)(H)	C[5](N[5]C[5]H)(S[5]C[5])(CCH){1|O<1>,2|H<1>}	H(CC[5]C)	119.9030	0.000	1	119.9030	0.000	1	118.3806	4.734	53	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(COO)(H)	C[5](N[5]C[6a]C[5])(S[5]C[5])(CCH)	H(CC[5]C)	C(C[5]N[5]S[5])(COO)(H)	C[5](N[5]C[6a]C[5])(S[5]C[5])(CCH){2|C<3>,4|H<1>}	H(CC[5]C)	119.0390	0.000	1	119.0390	0.000	1	118.3806	4.734	53	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:Se[5]-2:C-3:	C-3:	C(C[5]Se[5]N[5])(CC[5]H)(H)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CCH)	H(CC[5]C)	C(C[5]Se[5]N[5])(CC[5]H)(H)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CCH){2|C<3>}	H(CC[5]C)	119.3060	0.000	1	119.3060	0.000	1	118.4114	5.329	7	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:Se[5]-2:C-3:	C-3:	C(C[5]Se[5]N[5])(CC[6a]C)(H)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CCH)	H(CC[5]C)	C(C[5]Se[5]N[5])(CC[6a]C)(H)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CCH){2|C<3>}	H(CC[5]C)	113.2780	0.000	1	113.2780	0.000	1	118.4114	5.329	7	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:Se[5]-2:C-3:	C-3:	C(C[5]Se[5]N[5])(CC[6a]H)(H)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CCH)	H(CC[5]C)	C(C[5]Se[5]N[5])(CC[6a]H)(H)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CCH){2|C<3>}	H(CC[5]C)	119.2592	0.555	5	119.2592	0.308	5	118.4114	5.329	7	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[4]-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(C[4]C[4]2)(H)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[4]H)	H(CC[4]C[5])	C(C[5]N[5]S[5])(C[4]C[4]2)(H)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[4]H){2|C<3>}	H(CC[4]C[5])	116.4511	0.438	7	116.4511	0.192	7	116.4511	0.192	7	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[4]-3:H-1:	N[5]-3:Se[5]-2:C-3:	C-3:	C(C[5]Se[5]N[5])(C[4]C[4]2)(H)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[4]H)	H(CC[4]C[5])	C(C[5]Se[5]N[5])(C[4]C[4]2)(H)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[4]H){2|C<3>}	H(CC[4]C[5])	116.6012	0.353	4	116.6012	0.125	4	116.6012	0.125	4	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[4a]-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(C[4a]C[4a]2)(H)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[4a]H)	H(CC[4a]C[5])	C(C[5]N[5]S[5])(C[4a]C[4a]2)(H)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[4a]H){2|C<3>}	H(CC[4a]C[5])	116.7967	0.316	12	116.7967	0.100	12	116.7967	0.100	12	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[4a]-3:H-1:	N[5]-3:Se[5]-2:C-3:	C-3:	C(C[5]Se[5]N[5])(C[4a]C[4a]2)(H)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[4a]H)	H(CC[4a]C[5])	C(C[5]Se[5]N[5])(C[4a]C[4a]2)(H)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[4a]H){2|C<3>}	H(CC[4a]C[5])	116.3280	0.000	1	116.3280	0.000	1	116.3280	0.000	1	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5,5]P[5])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]H)	H(CC[5]2)	C(C[5]C[5,5]P[5])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]H){1|C<3>,1|H<1>}	H(CC[5]2)	118.6660	0.247	2	118.6660	0.061	2	116.4604	4.272	37	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5]H)	H(CC[5]2)	C(C[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5]H){1|C<3>,1|C<4>}	H(CC[5]2)	116.8675	0.107	2	116.8675	0.011	2	116.4604	4.272	37	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5]H)	H(CC[5]2)	C(C[5]C[5]N[5])(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5]H){1|C<3>,1|C<4>}	H(CC[5]2)	115.5710	0.038	2	115.5710	0.001	2	116.4604	4.272	37	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])2(H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5]H)	H(CC[5]2)	C(C[5]C[5]N[5])2(H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5]H){1|C<3>,1|C<4>}	H(CC[5]2)	116.2759	2.238	24	116.2759	5.011	24	116.4604	4.272	37	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]H)	H(CC[5]2)	C(C[5]C[5]N[5])2(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5]H){1|C<3>,1|H<1>}	H(CC[5]2)	115.7500	0.000	1	115.7500	0.000	1	116.4604	4.272	37	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])2(H)	C[5](C[5]C[5]O)(N[5]C[5])(CC[5]H)	H(CC[5]2)	C(C[5]C[5]N[5])2(H)	C[5](C[5]C[5]O)(N[5]C[5])(CC[5]H){1|C<3>,1|O<2>}	H(CC[5]2)	114.2755	0.083	2	114.2755	0.007	2	116.4604	4.272	37	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])2(H)	C[5](C[5]C[5]Si)(N[5]C[5])(CC[5]H)	H(CC[5]2)	C(C[5]C[5]N[5])2(H)	C[5](C[5]C[5]Si)(N[5]C[5])(CC[5]H){1|C<3>,1|H<1>}	H(CC[5]2)	115.7520	0.000	1	115.7520	0.000	1	116.4604	4.272	37	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]Se[5]C[5])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5]H)	H(CC[5]2)	C(C[5]Se[5]C[5])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5]H){1|C<3>,1|C<4>}	H(CC[5]2)	118.7170	0.307	3	118.7170	0.095	3	116.4604	4.272	37	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-3:Se[5]-2:C-3:	C-3:	C(C[5]Se[5]C[5])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]H)(Se[5]C[5])(CC[5]H)	H(CC[5]2)	C(C[5]Se[5]C[5])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]H)(Se[5]C[5])(CC[5]H){1|C<3>,1|H<1>}	H(CC[5]2)	118.6787	0.272	3	118.6787	0.074	3	118.6787	0.074	3	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	N[5]-3:N[5]-2:C-3:	C-3:	C(C[5]N[5]2)2(H)	C[5](N[5]C[5]H)(N[5]C[5])(CC[5]H)	H(CC[5]2)	C(C[5]N[5]2)2(H)	C[5](N[5]C[5]H)(N[5]C[5])(CC[5]H){4|H<1>}	H(CC[5]2)	116.7963	2.698	3	116.7963	7.282	3	116.7963	7.282	3	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(C[5]N[5]O[5])(H)	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]H)	H(CC[5]2)	C(C[5]C[5]N[5])(C[5]N[5]O[5])(H)	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]H){1|C<3>,3|H<1>}	H(CC[5]2)	119.2835	0.151	2	117.8728	2.770	16	118.6014	1.382	84	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(C[5]N[5]O[5])(H)	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]H)	H(CC[5]2)	C(C[5]C[5]N[5])(C[5]N[5]O[5])(H)	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]H){1|C<4>,3|H<1>}	H(CC[5]2)	117.6713	1.686	14	117.8728	2.770	16	118.6014	1.382	84	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(C[5]N[5]O[5])(H)	C[5](N[5]C[5]Rh)(O[5]C[5])(CC[5]H)	H(CC[5]2)	C(C[5]C[5]N[5])(C[5]N[5]O[5])(H)	C[5](N[5]C[5]Rh)(O[5]C[5])(CC[5]H){1|C<4>,3|H<1>}	H(CC[5]2)	117.8737	0.226	6	117.8737	0.051	6	118.6014	1.382	84	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])2(H)	C[5](N[5]C[5,6a]Al)(O[5]C[5,6a])(CC[5]H)	H(CC[5]2)	C(C[5]N[5]O[5])2(H)	C[5](N[5]C[5,6a]Al)(O[5]C[5,6a])(CC[5]H){2|C<3>}	H(CC[5]2)	119.8445	0.474	4	119.8445	0.225	4	118.6014	1.382	84	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])2(H)	C[5](N[5]C[5,6a]Li)(O[5]C[5,6a])(CC[5]H)	H(CC[5]2)	C(C[5]N[5]O[5])2(H)	C[5](N[5]C[5,6a]Li)(O[5]C[5,6a])(CC[5]H){2|C<3>}	H(CC[5]2)	119.2840	1.276	2	119.2840	1.627	2	118.6014	1.382	84	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])2(H)	C[5](N[5]C[5,6a]Mg)(O[5]C[5,6a])(CC[5]H)	H(CC[5]2)	C(C[5]N[5]O[5])2(H)	C[5](N[5]C[5,6a]Mg)(O[5]C[5,6a])(CC[5]H){2|C<3>}	H(CC[5]2)	118.4032	0.299	12	118.4032	0.089	12	118.6014	1.382	84	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])2(H)	C[5](N[5]C[5,6a]Ru)(O[5]C[5,6a])(CC[5]H)	H(CC[5]2)	C(C[5]N[5]O[5])2(H)	C[5](N[5]C[5,6a]Ru)(O[5]C[5,6a])(CC[5]H){2|C<3>}	H(CC[5]2)	119.5137	0.014	3	119.5137	0.000	3	118.6014	1.382	84	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])2(H)	C[5](N[5]C[5]Ir)(O[5]C[5])(CC[5]H)	H(CC[5]2)	C(C[5]N[5]O[5])2(H)	C[5](N[5]C[5]Ir)(O[5]C[5])(CC[5]H){1|C<3>,3|H<1>}	H(CC[5]2)	115.4740	0.079	2	117.0803	9.175	4	118.6014	1.382	84	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])2(H)	C[5](N[5]C[5]Ir)(O[5]C[5])(CC[5]H)	H(CC[5]2)	C(C[5]N[5]O[5])2(H)	C[5](N[5]C[5]Ir)(O[5]C[5])(CC[5]H){4|H<1>}	H(CC[5]2)	118.6865	4.147	2	117.0803	9.175	4	118.6014	1.382	84	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])2(H)	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]H)	H(CC[5]2)	C(C[5]N[5]O[5])2(H)	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5]H){1|C<4>,3|H<1>}	H(CC[5]2)	118.3630	0.027	2	118.3630	0.001	2	118.6014	1.382	84	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])2(H)	C[5](N[5]C[5]Rh)(O[5]C[5])(CC[5]H)	H(CC[5]2)	C(C[5]N[5]O[5])2(H)	C[5](N[5]C[5]Rh)(O[5]C[5])(CC[5]H){1|C<3>,3|H<1>}	H(CC[5]2)	118.9930	0.018	2	119.0686	0.025	9	118.6014	1.382	84	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])2(H)	C[5](N[5]C[5]Rh)(O[5]C[5])(CC[5]H)	H(CC[5]2)	C(C[5]N[5]O[5])2(H)	C[5](N[5]C[5]Rh)(O[5]C[5])(CC[5]H){1|C<4>,3|H<1>}	H(CC[5]2)	119.0901	0.177	7	119.0686	0.025	9	118.6014	1.382	84	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])2(H)	C[5](N[5]C[5]Ru)(O[5]C[5])(CC[5]H)	H(CC[5]2)	C(C[5]N[5]O[5])2(H)	C[5](N[5]C[5]Ru)(O[5]C[5])(CC[5]H){1|C<3>,3|H<1>}	H(CC[5]2)	118.9883	0.133	6	118.9883	0.018	6	118.6014	1.382	84	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])2(H)	C[5](N[5]C[5]Zn)(O[5]C[5])(CC[5]H)	H(CC[5]2)	C(C[5]N[5]O[5])2(H)	C[5](N[5]C[5]Zn)(O[5]C[5])(CC[5]H){1|C<3>,3|H<1>}	H(CC[5]2)	119.0697	0.423	20	119.0697	0.179	20	118.6014	1.382	84	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5]-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])2(H)	C[5](N[5]C[5,6a]Al)(S[5]C[5,6a])(CC[5]H)	H(CC[5]2)	C(C[5]N[5]S[5])2(H)	C[5](N[5]C[5,6a]Al)(S[5]C[5,6a])(CC[5]H){2|C<3>}	H(CC[5]2)	118.2315	0.018	2	118.2315	0.000	2	118.2315	0.000	2	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5a]-3:H-1:	C[5,6a]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5,6a]O[5])(C[5a]C[5a]S[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5]C[5,6a]O[5])(C[5a]C[5a]S[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[5a]H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5a]C[5])	115.3600	0.000	1	115.3600	0.000	1	115.3600	0.000	1	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5a]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(C[5a]N[5a]2)(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5]C[5]N[5])(C[5a]N[5a]2)(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>}	H(CC[5a]C[5])	116.9450	0.000	1	116.9450	0.000	1	116.9450	0.000	1	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[5a]-3:H-1:	C[5]-3:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(C[5a]C[5a]2)(H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5]C[5]S[5])(C[5a]C[5a]2)(H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[5a]H){1|N<3>}	H(CC[5a]C[5])	116.1490	0.000	1	116.1490	0.000	1	116.1490	0.000	1	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(C[6]C[6]2)(H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[6]H)	H(CC[5]C[6])	C(C[5]C[5]N[5])(C[6]C[6]2)(H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[6]H){1|C<3>,1|C<4>}	H(CC[5]C[6])	112.8860	0.000	1	112.8860	0.000	1	115.2130	10.830	2	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(C[6]C[6]N[6])(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6]H)	H(CC[5]C[6])	C(C[5]C[5]N[5])(C[6]C[6]N[6])(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6]H){1|C<3>,1|S<2>}	H(CC[5]C[6])	117.5400	0.000	1	117.5400	0.000	1	115.2130	10.830	2	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6]-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(C[6]C[6]N[6])(H)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[6]H)	H(CC[5]C[6])	C(C[5]N[5]S[5])(C[6]C[6]N[6])(H)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(CC[6]H){2|C<3>}	H(CC[5]C[6])	114.7800	0.000	1	114.7800	0.000	1	114.7800	0.000	1	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6]-3:H-1:	N[5]-3:Se[5]-2:C-3:	C-3:	C(C[5]Se[5]N[5])(C[6]C[6]N[6])(H)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[6]H)	H(CC[5]C[6])	C(C[5]Se[5]N[5])(C[6]C[6]N[6])(H)	C[5](N[5]C[5,6a]C)(Se[5]C[5,6a])(CC[6]H){2|C<3>}	H(CC[5]C[6])	115.5860	0.000	1	115.5860	0.000	1	115.5860	0.000	1	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(CC[6a]C[5])	114.0925	0.241	2	114.7328	0.359	5	114.8239	0.270	7	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]H){1|H<1>,1|N<3>,2|C<3>}	H(CC[6a]C[5])	115.1597	0.079	3	114.7328	0.359	5	114.8239	0.270	7	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CC[6a]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(CC[6a]C[5])	115.1930	0.000	1	115.1930	0.000	1	114.8239	0.270	7	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5])(CC[6a]H){1|O<2>,2|C<3>}	H(CC[6a]C[5])	114.9100	0.000	1	114.9100	0.000	1	114.8239	0.270	7	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	H(CC[6a]C[5])	114.5065	0.097	2	114.7388	0.117	4	114.4766	0.431	5	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]H){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]C[5])	114.9710	0.354	2	114.7388	0.117	4	114.4766	0.431	5	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5])	113.4280	0.000	1	113.4280	0.000	1	114.4766	0.431	5	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[6a]H){1|C<3>,1|C<4>}	H(CC[6a]C[5])	115.8680	0.000	1	115.8680	0.000	1	114.6212	1.085	103	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]H){1|C<4>,1|H<1>}	H(CC[6a]C[5])	110.1100	0.000	1	110.1100	0.000	1	114.6212	1.085	103	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){1|C<3>,1|C<4>}	H(CC[6a]C[5])	113.6370	0.873	9	114.5069	1.006	77	114.6212	1.085	103	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){1|C<3>,1|N<3>}	H(CC[6a]C[5])	115.2592	0.332	4	114.5069	1.006	77	114.6212	1.085	103	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){1|C<4>,1|S<2>}	H(CC[6a]C[5])	115.0370	0.000	1	114.5069	1.006	77	114.6212	1.085	103	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){1|H<1>,1|N<3>}	H(CC[6a]C[5])	115.5782	0.303	4	114.5069	1.006	77	114.6212	1.085	103	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){1|Se<2>,1|C<3>}	H(CC[6a]C[5])	115.5130	0.057	2	114.5069	1.006	77	114.6212	1.085	103	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<3>}	H(CC[6a]C[5])	115.1160	0.000	1	114.5069	1.006	77	114.6212	1.085	103	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	H(CC[6a]C[5])	114.4645	0.992	55	114.5069	1.006	77	114.6212	1.085	103	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|N<3>}	H(CC[6a]C[5])	114.2180	0.000	1	114.5069	1.006	77	114.6212	1.085	103	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]H){1|C<3>}	H(CC[6a]C[5])	115.2506	0.637	11	115.1241	0.227	24	114.6212	1.085	103	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]H){1|C<4>}	H(CC[6a]C[5])	115.0170	0.267	13	115.1241	0.227	24	114.6212	1.085	103	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]H){2|C<3>}	H(CC[6a]C[5])	114.7223	0.387	3	114.7223	0.150	3	114.3290	0.996	16	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CC[6a]H){1|H<1>,1|O<1>}	H(CC[6a]C[5])	114.5290	0.000	1	114.5290	0.000	1	114.3290	0.996	16	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6a]H){1|C<3>,2|C<4>}	H(CC[6a]C[5])	114.3750	0.000	1	114.3750	0.000	1	114.3290	0.996	16	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CC[6a]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.5850	0.000	1	115.5850	0.000	1	114.3290	0.996	16	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]Si)(O[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]Si)(O[5]C[5])(CC[6a]H){1|Si<4>,1|O<1>}	H(CC[6a]C[5])	114.5550	0.000	1	114.5550	0.000	1	114.3290	0.996	16	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]H){1|C<4>,4|C<3>}	H(CC[6a]C[5])	111.9630	0.000	1	113.0010	2.155	2	114.3290	0.996	16	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]H){1|O<1>,3|C<3>}	H(CC[6a]C[5])	114.0390	0.000	1	113.0010	2.155	2	114.3290	0.996	16	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5])(O[5]S[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5])(O[5]S[5])(CC[6a]H){2|C<3>,2|O<1>}	H(CC[6a]C[5])	115.1610	0.000	1	115.1610	0.000	1	114.3290	0.996	16	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(O[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(O[5]C[5])(CC[6a]H){1|C<3>,1|O<1>}	H(CC[6a]C[5])	114.5220	0.000	1	114.5748	0.118	5	114.3290	0.996	16	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(O[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(O[5]C[5])(CC[6a]H){1|C<4>,1|O<1>}	H(CC[6a]C[5])	114.5880	0.396	4	114.5748	0.118	5	114.3290	0.996	16	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]O[5]O)(O[5]B[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]O[5]O)(O[5]B[5])(CC[6a]H){1|C<4>,1|O<2>}	H(CC[6a]C[5])	112.0160	0.000	1	112.0160	0.000	1	114.3290	0.996	16	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]O)(S[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5,5]O)(S[5]C[5])(CC[6a]H){2|C<4>,2|H<1>}	H(CC[6a]C[5])	115.4200	0.000	1	115.4200	0.000	1	114.6632	1.780	46	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6]O)(S[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6]O)(S[5]C[5])(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]C[5])	116.5690	0.000	1	116.5690	0.000	1	114.6632	1.780	46	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(CC[6a]H){2|C<3>}	H(CC[6a]C[5])	115.3716	1.993	11	115.3716	3.972	11	114.6632	1.780	46	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|C<4>,1|O<1>}	H(CC[6a]C[5])	113.7090	1.397	6	114.3464	0.854	33	114.6632	1.780	46	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|H<1>,1|O<1>}	H(CC[6a]C[5])	114.1970	0.929	11	114.3464	0.854	33	114.6632	1.780	46	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|N<3>}	H(CC[6a]C[5])	114.7087	0.569	14	114.3464	0.854	33	114.6632	1.780	46	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|S<1>}	H(CC[6a]C[5])	114.5445	0.387	2	114.3464	0.854	33	114.6632	1.780	46	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:N-3:H-1:	C[5,6a]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5,6a]N[5])(NCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CHN)	H(CC[5]N)	C(C[5]C[5,6a]N[5])(NCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CHN){1|Cl<1>,1|H<1>,2|C<3>}	H(CC[5]N)	114.3940	0.267	2	114.3940	0.071	2	114.3940	0.071	2	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:N-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(NCC)(H)	C[5](C[5]O[5]O)(N[5]C[5])(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NCC)(H)	C[5](C[5]O[5]O)(N[5]C[5])(CHN){1|C<3>}	H(CC[5]N)	114.9317	0.529	3	114.9317	0.280	3	117.3981	4.540	9	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:N-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(NCH)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NCH)(H)	C[5](C[5]C[5]H)(N[5]C[5])(CHN){1|C<3>,1|H<1>}	H(CC[5]N)	117.6607	0.840	3	117.6607	0.706	3	117.3981	4.540	9	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:N-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(NC[6a]H)(H)	C[5](C[5]O[5]O)(N[5]C[5])(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NC[6a]H)(H)	C[5](C[5]O[5]O)(N[5]C[5])(CHN){1|C<3>}	H(CC[5]N)	119.6020	0.813	3	119.6020	0.661	3	117.3981	4.540	9	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:N-3:H-1:	C[5]-3:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(NCH)(H)	C[5](C[5]N[5]O)(S[5]C[5])(CHN)	H(CC[5]N)	C(C[5]C[5]S[5])(NCH)(H)	C[5](C[5]N[5]O)(S[5]C[5])(CHN){1|S<2>}	H(CC[5]N)	118.7730	0.000	1	118.7730	0.000	1	118.7730	0.000	1	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(NCaC)(H)	C[5](N[5]C[5]Ca)(S[5]C[5])(CHN)	H(CC[5]N)	C(C[5]N[5]S[5])(NCaC)(H)	C[5](N[5]C[5]Ca)(S[5]C[5])(CHN){2|H<1>}	H(CC[5]N)	118.2593	1.038	3	118.2593	1.078	3	121.2908	2.968	25	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(NFeC)(H)	C[5](N[5]C[5]Fe)(S[5]C[5])(CHN)	H(CC[5]N)	C(C[5]N[5]S[5])(NFeC)(H)	C[5](N[5]C[5]Fe)(S[5]C[5])(CHN){2|H<1>}	H(CC[5]N)	122.6402	0.534	12	122.6402	0.286	12	121.2908	2.968	25	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(NMgC)(H)	C[5](N[5]C[5]Mg)(S[5]C[5])(CHN)	H(CC[5]N)	C(C[5]N[5]S[5])(NMgC)(H)	C[5](N[5]C[5]Mg)(S[5]C[5])(CHN){2|H<1>}	H(CC[5]N)	119.9053	1.451	3	119.9053	2.105	3	121.2908	2.968	25	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(NMnC)(H)	C[5](N[5]C[5]Mn)(S[5]C[5])(CHN)	H(CC[5]N)	C(C[5]N[5]S[5])(NMnC)(H)	C[5](N[5]C[5]Mn)(S[5]C[5])(CHN){2|H<1>}	H(CC[5]N)	121.3040	0.555	3	121.3040	0.307	3	121.2908	2.968	25	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(NOO)(H)	C[5](N[5]C[6a]C[5])(S[5]C[5])(CHN)	H(CC[5]N)	C(C[5]N[5]S[5])(NOO)(H)	C[5](N[5]C[6a]C[5])(S[5]C[5])(CHN){2|H<1>,4|C<3>}	H(CC[5]N)	118.9620	0.000	1	118.9620	0.000	1	121.2908	2.968	25	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(NZnC)(H)	C[5](N[5]C[5]Zn)(S[5]C[5])(CHN)	H(CC[5]N)	C(C[5]N[5]S[5])(NZnC)(H)	C[5](N[5]C[5]Zn)(S[5]C[5])(CHN){2|H<1>}	H(CC[5]N)	121.0730	0.423	3	121.0730	0.179	3	121.2908	2.968	25	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5]-3:P-3:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(PC[6a]2)(H)	C[5](N[5]C[5]P)(S[5]C[5])(CHP)	H(CC[5]P)	C(C[5]N[5]S[5])(PC[6a]2)(H)	C[5](N[5]C[5]P)(S[5]C[5])(CHP){4|H<1>}	H(CC[5]P)	118.6970	0.000	1	118.6970	0.000	1	118.6970	0.000	1	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5,6,6]-3:N[5]-2:C-3:	C-3:	C(C[5a]C[5a,6,6]N[5a])(C[5]C[5,6,6]N[5])(H)	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a,6,6]N[5a])(C[5]C[5,6,6]N[5])(H)	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5])(CC[5a]H){1|H<1>,2|C<3>,2|C<4>}	H(CC[5a]C[5])	115.7812	0.414	4	115.7812	0.172	4	115.7812	0.172	4	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:N[5]-2:C-3:	C-3:	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[5a]H){1|H<1>,3|C<3>}	H(CC[5a]C[5])	115.1520	1.048	3	115.1520	1.098	3	115.1520	1.098	3	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>}	H(CC[5a]C[5])	116.6230	0.000	1	116.6230	0.000	1	116.1619	1.671	80	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5,5]C)(N[5]C[5,5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5,5]C)(N[5]C[5,5])(CC[5a]H){2|C<3>}	H(CC[5a]C[5])	117.2130	0.000	1	117.2130	0.000	1	116.1619	1.671	80	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>}	H(CC[5a]C[5])	116.1559	1.076	30	116.1842	1.087	34	116.1619	1.671	80	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|H<1>}	H(CC[5a]C[5])	116.4320	0.000	1	116.1842	1.087	34	116.1619	1.671	80	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){2|C<3>}	H(CC[5a]C[5])	117.3880	0.000	1	116.1842	1.087	34	116.1619	1.671	80	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[5a]H){2|C<4>}	H(CC[5a]C[5])	115.8840	0.748	2	116.1842	1.087	34	116.1619	1.671	80	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>}	H(CC[5a]C[5])	116.1430	0.000	1	116.4083	1.300	31	116.1619	1.671	80	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[5a]H){1|C<3>,1|H<1>}	H(CC[5a]C[5])	116.4171	1.159	30	116.4083	1.300	31	116.1619	1.671	80	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>,1|O<2>}	H(CC[5a]C[5])	116.2760	0.290	2	114.2340	4.965	6	116.1619	1.671	80	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H){1|C<3>,1|H<1>}	H(CC[5a]C[5])	111.9470	0.000	2	114.2340	4.965	6	116.1619	1.671	80	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H){1|C<3>,1|O<2>}	H(CC[5a]C[5])	112.7730	0.000	1	114.2340	4.965	6	116.1619	1.671	80	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]O)(N[5]C[5])(CC[5a]H){1|C<3>,2|C<4>}	H(CC[5a]C[5])	116.1850	0.000	1	114.2340	4.965	6	116.1619	1.671	80	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[5a]H){1|C<3>,1|N<3>}	H(CC[5a]C[5])	117.2160	0.000	1	117.2160	0.000	1	116.1619	1.671	80	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[5a]H){1|C<3>,1|N<2>}	H(CC[5a]C[5])	115.9475	0.149	2	115.9475	0.022	2	116.1619	1.671	80	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(H)	C[5](C[5]O[5]O)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(H)	C[5](C[5]O[5]O)(N[5]C[5])(CC[5a]H){1|C<3>}	H(CC[5a]C[5])	117.0700	1.902	2	116.4200	1.771	4	116.1619	1.671	80	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(H)	C[5](C[5]O[5]O)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(H)	C[5](C[5]O[5]O)(N[5]C[5])(CC[5a]H){1|C<4>}	H(CC[5a]C[5])	115.7700	0.069	2	116.4200	1.771	4	116.1619	1.671	80	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:Se[5]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]Se[5]C[5])(H)	C[5](C[5]C[5]H)(Se[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]Se[5]C[5])(H)	C[5](C[5]C[5]H)(Se[5]C[5])(CC[5a]H){1|C<3>,1|H<1>}	H(CC[5a]C[5])	117.7070	0.000	1	117.7070	0.000	1	117.7070	0.000	1	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5a]-3:C[5]-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5a]C[5a,6a]N[5a])(C[5]N[5]O[5])(H)	C[5](N[5]C[5]Co)(O[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a,6a]N[5a])(C[5]N[5]O[5])(H)	C[5](N[5]C[5]Co)(O[5]C[5])(CC[5a]H){1|C<4>,3|H<1>}	H(CC[5a]C[5])	118.8584	0.625	17	118.8584	0.391	17	118.7940	0.686	27	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5a]-3:C[5]-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5a]C[5a,6a]N[5a])(C[5]N[5]O[5])(H)	C[5](N[5]C[5]Fe)(O[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a,6a]N[5a])(C[5]N[5]O[5])(H)	C[5](N[5]C[5]Fe)(O[5]C[5])(CC[5a]H){1|C<3>,3|H<1>}	H(CC[5a]C[5])	117.7188	0.096	4	117.7188	0.009	4	118.7940	0.686	27	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[5a]-3:C[5]-3:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(H)	C[5](N[5]C[5]Ni)(O[5]C[5])(CC[5a]H){1|C<4>,3|H<1>}	H(CC[5a]C[5])	119.3282	1.016	6	119.3282	1.032	6	118.7940	0.686	27	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){1|C<3>,1|S<2>}	H(CC[6a]C[5])	115.1650	0.057	2	115.1650	0.003	2	115.1650	0.003	2	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5])(H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5])(H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]H){2|C<3>}	H(CC[6a]C[5])	115.0440	0.280	4	115.0440	0.078	4	115.0440	0.078	4	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]S[5])(H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]S[5])(H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|N<3>}	H(CC[6a]C[5])	113.9890	0.000	1	113.9890	0.000	1	115.6040	5.216	2	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:S[5]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]S[5])(H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]N[6a])(C[5]C[5]S[5])(H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|H<1>,1|O<1>}	H(CC[6a]C[5])	117.2190	0.000	1	117.2190	0.000	1	115.6040	5.216	2	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:2:3:	3:	N[5a]-3:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]C[5])(CN[5a]H)	H(CN[5a]C[5])	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]C[5])(CN[5a]H){1|C<3>,1|C<4>}	H(CN[5a]C[5])	117.1500	0.000	1	117.1500	0.000	1	117.1500	0.000	1	116.7676	5.495	642	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,5a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,5a]C[5])(CCH)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5,5a]C[5])(CCH)(H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]C)(CCH){1|H<1>,1|S<2>,2|C<3>}	H(CC[5]C)	115.9000	0.078	2	115.9000	0.006	2	116.1505	0.123	4	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,5a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,5a]C[5])(CCH)(H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5,5a]C[5])(CCH)(H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5]C[5]C)(CCH){3|C<3>}	H(CC[5]C)	116.1630	0.000	1	116.1630	0.000	1	116.1505	0.123	4	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,5a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,5a]C[5])(CCH)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5,5a]C[5])(CCH)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]C)(CCH){1|S<2>,3|C<3>}	H(CC[5]C)	116.6390	0.000	1	116.6390	0.000	1	116.1505	0.123	4	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,5a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,5a]N[5])(COO)(H)	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5,5a]N[5])(COO)(H)	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]C)(CCH){1|O<1>,2|C<3>}	H(CC[5]C)	117.7230	0.000	1	117.7230	0.000	1	117.7230	0.000	1	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6]N[5])(CCH)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5,6]N[5])(CCH)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(CCH){1|C<3>,1|O<1>,2|C<4>}	H(CC[5]C)	116.4680	0.000	1	116.4680	0.000	1	116.4680	0.000	1	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:	C(C[5]C[5,6a]2)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCH)	H(CC[5]C)	C(C[5]C[5,6a]2)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCH){2|H<1>,4|C<3>}	H(CC[5]C)	117.5940	0.000	1	117.5940	0.000	1	118.2958	2.246	6	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:	C(C[5]C[5,6a]2)(CIrO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCH)	H(CC[5]C)	C(C[5]C[5,6a]2)(CIrO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCH){1|Ir<8>,1|H<1>,4|C<3>}	H(CC[5]C)	119.1495	0.066	2	118.0587	3.572	3	118.2958	2.246	6	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:	C(C[5]C[5,6a]2)(CIrO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCH)	H(CC[5]C)	C(C[5]C[5,6a]2)(CIrO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCH){2|H<1>,4|C<3>}	H(CC[5]C)	115.8770	0.000	1	118.0587	3.572	3	118.2958	2.246	6	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:	C(C[5]C[5,6a]2)(CIrO)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCH)	H(CC[5]C)	C(C[5]C[5,6a]2)(CIrO)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCH){1|Ir<8>,5|C<3>}	H(CC[5]C)	117.9010	0.000	1	117.9010	0.000	1	118.2958	2.246	6	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:	C(C[5]C[5,6a]2)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCH)	H(CC[5]C)	C(C[5]C[5,6a]2)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCH){2|H<1>,4|C<3>}	H(CC[5]C)	120.1040	0.000	1	120.1040	0.000	1	118.2958	2.246	6	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(CCH)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CCH)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C)(CCH){4|C<3>}	H(CC[5]C)	114.2785	0.190	2	114.2785	0.036	2	116.0580	1.315	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	H(CC[5]C)	115.6125	0.035	2	114.5207	2.004	4	116.0580	1.315	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	H(CC[5]C)	113.4290	1.114	2	114.5207	2.004	4	116.0580	1.315	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){2|C<3>,2|H<1>}	H(CC[5]C)	116.5105	0.463	2	116.5105	0.215	2	116.0580	1.315	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(CCH)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CCH)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	H(CC[5]C)	116.3523	1.772	3	115.9895	2.621	4	116.0580	1.315	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(CCH)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CCH)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]C)(CCH){4|C<3>}	H(CC[5]C)	114.9010	0.000	1	115.9895	2.621	4	116.0580	1.315	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(CCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){2|C<3>,2|H<1>}	H(CC[5]C)	113.9370	0.000	1	113.9370	0.000	1	116.0580	1.315	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(CC[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CC[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]C)	118.4480	0.000	1	118.4480	0.000	1	116.0580	1.315	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(CC[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CC[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH){1|H<1>,5|C<3>}	H(CC[5]C)	116.7110	0.000	1	116.7110	0.000	1	116.0580	1.315	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(CC[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CC[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CCH){1|H<1>,2|C<3>}	H(CC[5]C)	116.2840	0.000	1	116.2840	0.000	1	116.0580	1.315	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]C)	116.1799	0.340	8	116.2638	0.420	12	116.0580	1.315	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|Cl<1>,1|H<1>,2|C<3>}	H(CC[5]C)	118.0740	0.000	1	116.2638	0.420	12	116.0580	1.315	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){2|C<3>,2|H<1>}	H(CC[5]C)	115.8843	0.151	3	116.2638	0.420	12	116.0580	1.315	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(CHO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CHO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]C)	117.0450	0.000	1	117.0450	0.000	1	116.0580	1.315	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH){1|H<1>,5|C<3>}	H(CC[5]C)	115.3000	0.000	1	115.6122	0.494	4	116.0580	1.315	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CCH){2|H<1>,4|C<3>}	H(CC[5]C)	115.7163	0.822	3	115.6122	0.494	4	116.0580	1.315	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]C)	116.4233	0.188	6	116.4233	0.035	6	116.0580	1.315	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCH){1|H<1>,2|C<3>}	H(CC[5]C)	117.0733	0.491	4	117.0733	0.241	4	116.0580	1.315	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(CCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]N[5])(CCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]C)	118.2625	0.104	2	118.2625	0.011	2	117.3000	1.503	10	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(CC[5a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]N[5])(CC[5a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]C)	118.8350	0.000	1	118.8350	0.000	1	117.3000	1.503	10	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]N[5])(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]C)	116.8170	0.000	1	116.8170	0.000	1	117.3000	1.503	10	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(CN[6]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]N[5])(CN[6]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]C)	119.2930	0.000	1	119.2930	0.000	1	117.3000	1.503	10	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]N[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	H(CC[5]C)	116.3697	0.212	3	116.3697	0.045	3	117.3000	1.503	10	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]N[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]C)	116.0660	0.000	1	116.0660	0.000	1	117.3000	1.503	10	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]N[5])(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CCH){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]C)	116.3550	0.000	1	116.3550	0.000	1	117.3000	1.503	10	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CBrC)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CBrC)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){2|H<1>}	H(CC[5]C)	115.2580	0.000	1	115.2580	0.000	1	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5,5a]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5,5a]C)2(CCH){1|C<3>,1|S<2>}	H(CC[5]C)	114.9195	0.124	2	114.9195	0.015	2	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<2>,1|C<3>}	H(CC[5]C)	115.6730	0.000	1	115.6730	0.000	1	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCH){1|C<3>,1|H<1>}	H(CC[5]C)	114.6560	0.000	1	114.6560	0.000	1	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|C<4>}	H(CC[5]C)	114.5850	0.284	2	114.8059	0.062	9	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	H(CC[5]C)	114.8090	0.234	5	114.8059	0.062	9	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]C)2(CCH){1|C<4>,1|H<1>}	H(CC[5]C)	114.9520	0.000	1	114.8059	0.062	9	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]C)2(CCH){2|C<3>}	H(CC[5]C)	115.0860	0.000	1	114.8059	0.062	9	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]H)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]H)2(CCH){1|H<1>,1|P<4>}	H(CC[5]C)	113.6810	0.000	1	113.6810	0.000	1	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]B[5]C[5])(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]B[5]C[5])(C[5]C[5]C)(CCH){2|H<1>,2|O<2>}	H(CC[5]C)	115.7320	0.000	1	115.7320	0.000	1	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,5a]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,5a]C)2(CCH){1|C<3>,1|S<2>}	H(CC[5]C)	114.1740	0.000	1	114.1740	0.000	1	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,6]O)(C[5]O[5]O)(CCH){2|C<4>}	H(CC[5]C)	116.6630	0.000	1	116.6630	0.000	1	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CCH){2|C<3>}	H(CC[5]C)	115.1973	0.743	6	115.1973	0.552	6	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCH){2|C<3>}	H(CC[5]C)	116.3310	0.115	2	116.3310	0.013	2	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,6a]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,6a]C)2(CCH){2|C<3>}	H(CC[5]C)	116.5010	0.000	1	116.5010	0.000	1	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]C)(CCH){4|C<3>}	H(CC[5]C)	114.7750	0.000	1	114.7750	0.000	1	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,6a]O)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,6a]O)2(CCH){2|C<3>}	H(CC[5]C)	116.7360	0.000	1	116.7360	0.000	1	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]2)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]2)(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	H(CC[5]C)	115.6300	0.378	2	115.6300	0.143	2	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]Br)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]Br)(C[5]C[5]C)(CCH){1|Br<1>,1|H<1>}	H(CC[5]C)	115.3388	0.255	5	115.4733	0.141	7	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]Br)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]Br)(C[5]C[5]C)(CCH){1|Br<1>,1|P<4>}	H(CC[5]C)	115.8095	0.517	2	115.4733	0.141	7	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|B<3>,1|H<1>}	H(CC[5]C)	115.5830	0.000	1	115.3177	0.460	77	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|Br<1>,1|P<4>}	H(CC[5]C)	115.4470	0.000	1	115.3177	0.460	77	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<2>,1|C<3>}	H(CC[5]C)	114.2610	1.789	2	115.3177	0.460	77	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<2>,1|H<1>}	H(CC[5]C)	115.6154	0.103	7	115.3177	0.460	77	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<3>,1|H<1>}	H(CC[5]C)	115.3586	0.520	36	115.3177	0.460	77	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|C<4>,1|H<1>}	H(CC[5]C)	114.8715	2.251	4	115.3177	0.460	77	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|H<1>,1|N<3>}	H(CC[5]C)	115.6190	0.000	1	115.3177	0.460	77	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){1|Pt<4>,1|C<3>}	H(CC[5]C)	115.0130	0.000	1	115.3177	0.460	77	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){2|C<3>}	H(CC[5]C)	115.7044	0.335	5	115.3177	0.460	77	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CCH){2|H<1>}	H(CC[5]C)	115.2135	0.304	19	115.3177	0.460	77	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]I)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]I)(CCH){1|C<2>,1|H<1>}	H(CC[5]C)	115.5120	0.000	1	115.4848	0.062	5	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]I)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]I)(CCH){1|C<2>,1|I<1>}	H(CC[5]C)	115.6155	0.013	2	115.4848	0.062	5	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]I)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]I)(CCH){1|H<1>,1|I<1>}	H(CC[5]C)	115.3405	0.414	2	115.4848	0.062	5	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]N)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]C[5]N)(CCH){2|H<1>}	H(CC[5]C)	115.9480	0.000	1	115.9480	0.000	1	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCH){1|C<3>,1|H<1>}	H(CC[5]C)	113.0310	0.000	1	115.5005	12.197	2	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CCH){2|H<1>}	H(CC[5]C)	117.9700	0.000	1	115.5005	12.197	2	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH){1|C<2>,1|H<1>}	H(CC[5]C)	115.8305	0.189	2	115.3452	0.434	86	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH){1|C<2>,1|N<3>}	H(CC[5]C)	115.8018	0.216	5	115.3452	0.434	86	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|H<1>}	H(CC[5]C)	115.3746	0.555	28	115.3452	0.434	86	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|N<2>}	H(CC[5]C)	115.3390	0.000	1	115.3452	0.434	86	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|N<3>}	H(CC[5]C)	114.8785	0.069	2	115.3452	0.434	86	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|O<1>}	H(CC[5]C)	114.8165	0.202	2	115.3452	0.434	86	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH){1|C<3>,1|S<2>}	H(CC[5]C)	115.0558	1.236	6	115.3452	0.434	86	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH){1|C<4>,1|H<1>}	H(CC[5]C)	115.2953	0.441	14	115.3452	0.434	86	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH){1|Cl<1>,1|C<3>}	H(CC[5]C)	115.3720	0.086	2	115.3452	0.434	86	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH){1|Cu<5>,1|C<3>,1|O<2>}	H(CC[5]C)	115.0415	0.111	2	115.3452	0.434	86	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH){1|H<1>,1|I<1>}	H(CC[5]C)	115.6750	0.000	1	115.3452	0.434	86	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH){1|H<1>,1|O<2>}	H(CC[5]C)	118.2090	0.000	1	115.3452	0.434	86	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH){1|Ni<4>,1|C<3>}	H(CC[5]C)	115.7840	0.070	4	115.3452	0.434	86	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH){1|Pd<4>,1|C<3>}	H(CC[5]C)	115.1880	0.142	4	115.3452	0.434	86	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH){1|Pd<5>,1|C<3>,1|O<2>}	H(CC[5]C)	115.0940	0.132	2	115.3452	0.434	86	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH){1|Pt<4>,1|C<3>}	H(CC[5]C)	114.6780	1.409	2	115.3452	0.434	86	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH){1|Rh<5>,1|C<3>}	H(CC[5]C)	115.1340	0.216	2	115.3452	0.434	86	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH){1|Ru<6>,1|C<3>}	H(CC[5]C)	114.6990	0.711	2	115.3452	0.434	86	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH){2|C<3>}	H(CC[5]C)	115.2935	1.034	2	115.3452	0.434	86	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C)2(CCH){2|H<1>}	H(CC[5]C)	115.4685	0.144	2	115.3452	0.434	86	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]Cl)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]Cl)(C[5]C[5]C)(CCH){1|Cl<1>,1|B<3>}	H(CC[5]C)	115.7295	0.111	2	115.7295	0.012	2	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH){1|H<1>,1|O<2>,2|C<3>}	H(CC[5]C)	115.6450	0.000	1	115.9030	1.272	6	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH){1|H<1>,1|S<2>,2|C<3>}	H(CC[5]C)	116.3098	1.119	4	115.9030	1.272	6	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5a]C[5])(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	H(CC[5]C)	114.5340	0.000	1	115.9030	1.272	6	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|C<2>,3|C<3>}	H(CC[5]C)	116.4250	0.000	1	115.4955	0.125	13	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|C<4>,1|O<2>,2|C<3>}	H(CC[5]C)	115.7630	0.037	2	115.4955	0.125	13	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|H<1>,1|O<2>,2|C<3>}	H(CC[5]C)	115.3438	0.256	4	115.4955	0.125	13	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|H<1>,3|C<3>}	H(CC[5]C)	115.3725	0.152	4	115.4955	0.125	13	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	H(CC[5]C)	115.3510	0.000	1	115.4955	0.125	13	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CCH){2|H<1>,3|C<3>}	H(CC[5]C)	115.2750	0.000	1	115.4955	0.125	13	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]C[5])2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]C[5])2(CCH){1|H<1>,5|C<3>}	H(CC[5]C)	116.3440	0.000	1	115.2625	2.339	2	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]C[5])2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]C[5])2(CCH){6|C<3>}	H(CC[5]C)	114.1810	0.000	1	115.2625	2.339	2	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]N[5])(C[5]C[5]P)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]N[5])(C[5]C[5]P)(CCH){1|O<1>,1|S<4>,2|C<3>}	H(CC[5]C)	117.5550	0.000	1	117.5550	0.000	1	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]O[5])(C[5]C[5]P)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]O[5])(C[5]C[5]P)(CCH){1|O<1>,2|C<3>}	H(CC[5]C)	115.5770	0.000	1	115.5770	0.000	1	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[5]C)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCH){1|C<3>}	H(CC[5]C)	108.8165	0.569	2	108.8165	0.324	2	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[5]H)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[5]H)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCH){2|C<3>}	H(CC[5]C)	116.8703	0.311	3	116.8703	0.097	3	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[6]H)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[6]H)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCH){1|C<4>,1|H<1>}	H(CC[5]C)	117.2166	0.264	5	117.2323	0.057	6	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[6]H)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[6]H)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCH){2|H<1>}	H(CC[5]C)	117.3110	0.000	1	117.2323	0.057	6	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[6]H)(H)	C[5](C[5]C[6a]C[5])2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[6]H)(H)	C[5](C[5]C[6a]C[5])2(CCH){6|C<3>}	H(CC[5]C)	115.7865	0.861	2	115.7865	0.741	2	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[6]H)(H)	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[6]H)(H)	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CCH){2|C<3>}	H(CC[5]C)	116.9450	0.000	1	116.9450	0.000	1	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[6a]2)(H)	C[5](C[5]C[5]N)(C[5]N[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[6a]2)(H)	C[5](C[5]C[5]N)(C[5]N[5]O)(CCH){1|C<3>,1|O<1>}	H(CC[5]C)	116.3610	0.000	1	116.3610	0.000	1	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[6a]C)(H)	C[5](C[5]C[5]C)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[6a]C)(H)	C[5](C[5]C[5]C)2(CCH){2|C<3>}	H(CC[5]C)	114.2700	0.000	1	114.2700	0.000	1	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[6a]C)(H)	C[5](C[5]C[6a]C[5])2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[6a]C)(H)	C[5](C[5]C[6a]C[5])2(CCH){6|C<3>}	H(CC[5]C)	118.2120	0.000	1	118.2120	0.000	1	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CHH)(H)	C[5](C[5]C[5]C)(C[5]O[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CHH)(H)	C[5](C[5]C[5]C)(C[5]O[5]C)(CCH){1|O<1>}	H(CC[5]C)	115.0790	0.000	1	115.0790	0.000	1	115.3966	0.997	252	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCC)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCC)(H)	C[5](C[5]N[5]H)(N[5]C[5]C)(CCH){1|C<4>,1|H<1>}	H(CC[5]C)	116.6230	0.000	1	116.6230	0.000	1	117.6887	1.380	15	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CCH){1|Rh<6>,1|C<4>}	H(CC[5]C)	115.9185	0.728	2	117.2332	2.317	6	117.6887	1.380	15	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](C[5]N[5]C)(N[5]C[5]C)(CCH){1|Se<1>,1|C<4>}	H(CC[5]C)	117.8905	1.399	4	117.2332	2.317	6	117.6887	1.380	15	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CC[6a]H)(H)	C[5](C[5]C[5,6]C)(N[5]N[5,6]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[6a]H)(H)	C[5](C[5]C[5,6]C)(N[5]N[5,6]C)(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]C)	118.5220	0.000	1	118.5220	0.000	1	117.6887	1.380	15	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CC[6a]O)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[6a]O)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCH){2|C<3>}	H(CC[5]C)	118.8780	0.000	1	118.8780	0.000	1	117.6887	1.380	15	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CNO)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CNO)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH){1|C<4>,1|O<1>}	H(CC[5]C)	118.1270	0.477	2	118.1270	0.227	2	117.6887	1.380	15	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CNO)(H)	C[5](C[5]C[5]H)(N[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CNO)(H)	C[5](C[5]C[5]H)(N[5]C[5]H)(CCH){1|C<4>,1|O<1>}	H(CC[5]C)	118.0865	1.285	2	118.0865	1.651	2	117.6887	1.380	15	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(COO)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(COO)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCH){1|O<1>,1|O<2>}	H(CC[5]C)	117.1650	0.000	1	117.1650	0.000	1	117.6887	1.380	15	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(COO)(H)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(COO)(H)	C[5](C[5]C[6a]C[5])(N[5]C[5]H)(CCH){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]C)	118.3170	0.000	1	118.3170	0.000	1	117.6887	1.380	15	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5,5]-3:C[5]-3:C-3:	C-3:	C(C[5]N[5,5]C[5])(COO)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]O)(CCH)	H(CC[5]C)	C(C[5]N[5,5]C[5])(COO)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]O)(CCH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(CC[5]C)	114.5200	0.000	1	114.5200	0.000	1	114.5200	0.000	1	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CCH){1|O<1>,3|C<3>}	H(CC[5]C)	117.2330	0.000	1	117.2330	0.000	1	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ga[5,5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ga[5,5]C)(C[5]N[5]C)(CCH){1|C<2>,2|N<3>}	H(CC[5]C)	113.5720	0.000	1	114.1923	0.266	4	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ga[5,5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ga[5,5]C)(C[5]N[5]C)(CCH){1|C<4>,2|N<3>}	H(CC[5]C)	114.3990	0.378	3	114.1923	0.266	4	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ga[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ga[5]C)(C[5]N[5]C)(CCH){1|O<3>,2|C<4>}	H(CC[5]C)	113.8462	0.154	4	113.8462	0.024	4	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH){1|C<4>,1|N<3>,2|O<2>}	H(CC[5]C)	114.2270	0.117	4	114.1540	0.032	8	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH){1|C<4>,3|O<2>}	H(CC[5]C)	114.1600	0.332	2	114.1540	0.032	8	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[4,5]C)(C[5]N[5]C)(CCH){1|Cl<1>,1|C<4>,2|O<2>}	H(CC[5]C)	114.0020	0.082	2	114.1540	0.032	8	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Br<1>,1|C<4>,1|S<1>}	H(CC[5]C)	114.1260	0.171	2	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Br<1>,1|Se<1>,1|C<4>}	H(CC[5]C)	114.2090	0.061	2	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<2>,1|C<4>,1|O<2>}	H(CC[5]C)	114.2880	0.096	2	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<3>,1|C<4>,1|O<2>}	H(CC[5]C)	114.3360	0.113	2	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<3>,1|C<4>,1|S<1>}	H(CC[5]C)	113.1540	0.540	2	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<3>,1|C<4>,1|S<2>}	H(CC[5]C)	113.6195	0.375	2	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|F<1>,1|S<1>}	H(CC[5]C)	113.1185	0.540	2	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|N<3>,1|O<2>}	H(CC[5]C)	114.4075	0.383	4	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|N<3>,1|S<1>}	H(CC[5]C)	114.2922	0.328	6	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|O<2>,1|S<1>}	H(CC[5]C)	114.0691	0.342	8	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|O<2>,1|S<2>}	H(CC[5]C)	114.4015	0.073	2	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,1|S<1>,1|S<2>}	H(CC[5]C)	114.4045	0.282	6	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>,2|O<2>}	H(CC[5]C)	114.3783	0.124	6	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|C<4>}	H(CC[5]C)	114.2391	0.537	8	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Cd<4>,2|C<4>}	H(CC[5]C)	114.1390	0.390	6	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Cl<1>,1|C<4>,1|O<2>}	H(CC[5]C)	114.1965	0.018	2	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Cl<1>,1|Cu<4>,1|C<4>}	H(CC[5]C)	114.2423	0.735	4	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Cu<4>,1|C<4>,1|O<2>}	H(CC[5]C)	113.9230	0.549	11	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Fe<5>,1|C<4>,1|O<2>}	H(CC[5]C)	114.3590	0.076	4	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|O<2>,2|C<4>}	H(CC[5]C)	114.4540	0.243	2	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Pt<4>,2|C<4>}	H(CC[5]C)	114.1681	0.505	15	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<1>,1|C<3>,1|C<4>}	H(CC[5]C)	113.3525	0.227	2	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<1>,1|C<4>,1|N<3>}	H(CC[5]C)	113.7760	0.115	2	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<1>,1|C<4>,1|O<2>}	H(CC[5]C)	114.0704	0.267	8	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<1>,1|C<4>,1|S<2>}	H(CC[5]C)	114.4555	0.129	2	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<1>,1|Se<2>,1|C<4>}	H(CC[5]C)	113.8935	0.606	2	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<2>,1|C<3>,1|C<4>}	H(CC[5]C)	113.8440	0.133	2	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<2>,1|C<4>,1|S<1>}	H(CC[5]C)	114.3255	0.084	2	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Se<2>,2|C<4>}	H(CC[5]C)	114.1675	1.090	2	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Te<1>,1|C<4>,1|N<3>}	H(CC[5]C)	113.9895	0.260	2	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Te<1>,1|C<4>,1|O<2>}	H(CC[5]C)	114.1316	0.562	10	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]Ge[5]C)(C[5]N[5]C)(CCH){1|Zn<4>,2|C<4>}	H(CC[5]C)	114.0800	0.494	4	114.1255	0.216	136	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(COO)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(COO)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CCH){1|O<1>,2|C<3>,2|C<4>}	H(CC[5]C)	117.4800	0.000	1	117.4800	0.000	1	114.1635	0.335	154	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(CC[5]O)(H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CCH)	H(CC[5]C)	C(C[5]N[5]2)(CC[5]O)(H)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(CCH){2|C<3>}	H(CC[5]C)	116.9020	0.197	6	116.9020	0.039	6	117.2274	1.343	13	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(CC[5a]H)(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCH)	H(CC[5]C)	C(C[5]N[5]2)(CC[5a]H)(H)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a]H)(CCH){2|C<3>}	H(CC[5]C)	117.7820	0.000	1	117.7820	0.000	1	117.2274	1.343	13	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(CC[5a]H)(H)	C[5](N[5]C[5,6a]C)2(CCH)	H(CC[5]C)	C(C[5]N[5]2)(CC[5a]H)(H)	C[5](N[5]C[5,6a]C)2(CCH){2|C<3>}	H(CC[5]C)	115.9080	0.000	1	115.9080	0.000	1	117.2274	1.343	13	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(CC[5a]H)(H)	C[5](N[5]C[5]Cr)(N[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]N[5]2)(CC[5a]H)(H)	C[5](N[5]C[5]Cr)(N[5]C[5]C)(CCH){2|H<1>}	H(CC[5]C)	115.6010	0.000	1	115.6010	0.000	1	117.2274	1.343	13	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(CC[6a]H)(H)	C[5](N[5]C[5,6a]C)2(CCH)	H(CC[5]C)	C(C[5]N[5]2)(CC[6a]H)(H)	C[5](N[5]C[5,6a]C)2(CCH){2|C<3>}	H(CC[5]C)	116.6930	0.000	1	116.6930	0.000	1	117.2274	1.343	13	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(CC[6a]H)(H)	C[5](N[5]C[5,6a]H)2(CCH)	H(CC[5]C)	C(C[5]N[5]2)(CC[6a]H)(H)	C[5](N[5]C[5,6a]H)2(CCH){2|C<3>}	H(CC[5]C)	117.7850	0.000	1	117.7850	0.000	1	117.2274	1.343	13	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(CC[6a]O)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]N[5]2)(CC[6a]O)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(CCH){4|H<1>}	H(CC[5]C)	119.3875	0.817	2	119.3875	0.667	2	117.2274	1.343	13	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C-3:H-1:	S[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]S[5])(CCP)(H)	C[5](S[5]C[5]Os)(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]S[5])(CCP)(H)	C[5](S[5]C[5]Os)(C[5]C[5]H)(CCH){2|H<1>}	H(CC[5]C)	116.7610	0.000	1	116.7610	0.000	1	116.7610	0.000	1	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[5]-3:H-1:	C[5,5]-3:P[5]-3:C-3:	C-3:	C(C[5]C[5,5]P[5])(C[5]C[5]N[5])(H)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5])(CC[5]H)	H(CC[5]2)	C(C[5]C[5,5]P[5])(C[5]C[5]N[5])(H)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5])(CC[5]H){2|C<4>,2|H<1>,3|C<3>}	H(CC[5]2)	118.6975	0.197	2	118.6975	0.039	2	118.6975	0.039	2	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5]H)	H(CC[5]2)	C(C[5]C[5,6a]C[5])(C[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[5]H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]2)	114.5010	0.000	1	114.5010	0.000	1	115.6382	1.882	5	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)	H(CC[5]2)	C(C[5]C[5,6a]C[5])(C[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){2|C<3>,2|H<1>}	H(CC[5]2)	113.8790	0.000	1	113.8790	0.000	1	115.6382	1.882	5	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5]H)	H(CC[5]2)	C(C[5]C[5,6a]C[5])(C[5]C[5]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5]H){1|H<1>,3|C<3>}	H(CC[5]2)	116.8365	0.129	2	116.8365	0.017	2	115.6382	1.882	5	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[5]C[5]O[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(CC[5]H)	H(CC[5]2)	C(C[5]C[5,6a]C[5])(C[5]C[5]O[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(CC[5]H){1|H<1>,3|C<3>}	H(CC[5]2)	116.1380	0.000	1	116.1380	0.000	1	115.6382	1.882	5	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)2(H)	C[5](C[5]C[5]C)2(CC[5]H)	H(CC[5]2)	C(C[5]C[5]2)2(H)	C[5](C[5]C[5]C)2(CC[5]H){2|C<3>}	H(CC[5]2)	116.5340	0.000	1	116.5340	0.000	1	115.8907	0.311	3	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]H)	H(CC[5]2)	C(C[5]C[5]N[5])(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5]H){2|C<3>}	H(CC[5]2)	115.5690	0.035	2	115.5690	0.001	2	115.8907	0.311	3	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])2(H)	C[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5]H)	H(CC[5]2)	C(C[5]C[5]N[5])2(H)	C[5](N[5]C[5]Cu)(C[5]C[5]C)(CC[5]H){1|C<4>,1|O<1>}	H(CC[5]2)	118.2950	0.079	4	118.2950	0.006	4	118.2950	0.006	4	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)2(H)	C[5](N[5]C[5,6a]C)2(CC[5]H)	H(CC[5]2)	C(C[5]N[5]2)2(H)	C[5](N[5]C[5,6a]C)2(CC[5]H){2|C<3>}	H(CC[5]2)	116.7960	0.031	2	116.7960	0.001	2	117.6754	1.594	5	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)2(H)	C[5](N[5]C[5]H)2(CC[5]H)	H(CC[5]2)	C(C[5]N[5]2)2(H)	C[5](N[5]C[5]H)2(CC[5]H){4|H<1>}	H(CC[5]2)	118.2617	1.378	3	118.2617	1.898	3	117.6754	1.594	5	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[5]-3:H-1:	O[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[5]C[5]O[5])(H)	C[5](O[5]C[5]Pd)(C[5]C[5]H)(CC[5]H)	H(CC[5]2)	C(C[5]C[5,6a]C[5])(C[5]C[5]O[5])(H)	C[5](O[5]C[5]Pd)(C[5]C[5]H)(CC[5]H){1|C<3>,1|H<1>}	H(CC[5]2)	116.1300	0.000	1	116.1300	0.000	1	116.1300	0.000	1	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H)	H(CC[5a]C[5])	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H){1|H<1>,3|C<3>}	H(CC[5a]C[5])	116.3390	0.000	1	116.3390	0.000	1	115.3772	3.157	15	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ir)(CC[5a]H)	H(CC[5a]C[5])	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Ir)(CC[5a]H){1|H<1>,3|C<3>}	H(CC[5a]C[5])	117.3170	0.037	2	117.3170	0.001	2	115.3772	3.157	15	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(CC[5a]H)	H(CC[5a]C[5])	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(CC[5a]H){1|H<1>,3|C<3>}	H(CC[5a]C[5])	117.8420	0.000	1	117.8420	0.000	1	115.3772	3.157	15	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Rh)(CC[5a]H)	H(CC[5a]C[5])	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Rh)(CC[5a]H){1|H<1>,3|C<3>}	H(CC[5a]C[5])	117.4520	0.195	2	117.4520	0.038	2	115.3772	3.157	15	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H)	H(CC[5a]C[5])	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H){2|C<3>,2|H<1>}	H(CC[5a]C[5])	113.8743	0.435	3	113.8743	0.190	3	115.3772	3.157	15	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H)	H(CC[5a]C[5])	C(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H){1|H<1>,3|C<3>}	H(CC[5a]C[5])	114.9800	1.382	2	114.9800	1.909	2	115.3772	3.157	15	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H)	H(CC[5a]C[5])	C(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H){2|C<3>,2|H<1>}	H(CC[5a]C[5])	113.3800	0.000	1	113.3800	0.000	1	115.3772	3.157	15	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[5a]H)	H(CC[5a]C[5])	C(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[5a]H){1|H<1>,2|C<3>}	H(CC[5a]C[5])	114.2280	0.000	1	114.2280	0.000	1	115.3772	3.157	15	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]S[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H)	H(CC[5a]C[5])	C(C[5]C[5,6a]C[5])(C[5a]C[5a]S[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5a]H){1|H<1>,3|C<3>}	H(CC[5a]C[5])	114.8270	0.000	1	114.8270	0.000	1	115.3772	3.157	15	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]S[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H)	H(CC[5a]C[5])	C(C[5]C[5,6a]C[5])(C[5a]C[5a]S[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]H){2|C<3>,2|H<1>}	H(CC[5a]C[5])	112.9210	0.000	1	112.9210	0.000	1	115.3772	3.157	15	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[5a]-3:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[5a]H)	H(CC[5a]C[5])	C(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[5a]H){1|H<1>,1|O<1>,2|C<3>}	H(CC[5a]C[5])	114.7850	0.000	1	114.7850	0.000	1	114.7850	0.000	1	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(C[6]C[6]2)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6]H)	H(CC[5]C[6])	C(C[5]C[5]2)(C[6]C[6]2)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6]H){2|C<3>}	H(CC[5]C[6])	115.1070	0.000	1	115.1070	0.000	1	115.1070	0.000	1	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,5a]-3:C-3:	C-3:	C(C[5]C[5,5a]2)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]C[5a])2(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,5a]2)(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]C[5a])2(CC[6a]H){2|C<3>,2|H<1>,2|S<2>}	H(CC[6a]C[5])	116.1090	0.000	1	116.1090	0.000	1	116.1090	0.000	1	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	H(CC[6a]C[5])	113.6790	0.000	1	113.6790	0.000	1	113.6790	0.000	1	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[6a]C[5])	114.6460	0.000	1	114.6460	0.000	1	114.6460	0.000	1	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){1|Si<4>,1|H<1>,4|C<3>}	H(CC[6a]C[5])	112.6950	0.212	2	115.3810	1.636	17	115.3810	1.636	17	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	H(CC[6a]C[5])	115.7391	0.835	15	115.3810	1.636	17	115.3810	1.636	17	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]H){1|H<1>,3|C<3>}	H(CC[6a]C[5])	114.0900	0.000	1	114.0900	0.000	1	115.1712	1.182	23	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]H){2|C<3>,2|H<1>}	H(CC[6a]C[5])	113.9010	0.347	3	113.9010	0.120	3	115.1712	1.182	23	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]H){1|H<1>,5|C<3>}	H(CC[6a]C[5])	115.1790	0.000	1	115.1790	0.000	1	115.1712	1.182	23	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5])	114.7510	2.357	3	115.4425	1.084	18	115.1712	1.182	23	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){1|H<1>,3|C<3>}	H(CC[6a]C[5])	115.2700	0.000	1	115.4425	1.084	18	115.1712	1.182	23	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){2|C<3>,2|H<1>}	H(CC[6a]C[5])	115.6030	0.650	14	115.4425	1.084	18	115.1712	1.182	23	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	H(CC[6a]C[5])	115.2846	1.583	7	115.2846	2.505	7	114.8865	1.401	20	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(CC[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]C[5])	115.2790	0.000	1	115.2790	0.000	1	114.8865	1.401	20	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	H(CC[6a]C[5])	113.7246	0.495	5	114.0517	0.838	6	114.8865	1.401	20	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]H){1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]C[5])	115.6870	0.000	1	114.0517	0.838	6	114.8865	1.401	20	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	H(CC[6a]C[5])	115.8110	0.000	1	115.8110	0.000	1	114.8865	1.401	20	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC[6a]H){1|H<1>,1|O<1>,4|C<3>}	H(CC[6a]C[5])	115.0676	0.485	5	115.0676	0.235	5	114.8865	1.401	20	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]H){2|C<3>}	H(CC[6a]C[5])	112.5080	0.095	2	112.5080	0.009	2	114.6510	1.761	22	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]H){2|C<3>}	H(CC[6a]C[5])	114.2915	0.473	2	114.2915	0.224	2	114.6510	1.761	22	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(CC[6a]H){2|C<3>}	H(CC[6a]C[5])	113.2870	0.000	1	113.2870	0.000	1	114.6510	1.761	22	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H){1|C<2>,1|O<1>}	H(CC[6a]C[5])	116.1860	0.000	1	115.0340	1.469	3	114.6510	1.761	22	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H){1|C<4>,1|O<1>}	H(CC[6a]C[5])	115.1460	0.000	1	115.0340	1.469	3	114.6510	1.761	22	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H){1|H<1>,1|O<1>}	H(CC[6a]C[5])	113.7700	0.000	1	115.0340	1.469	3	114.6510	1.761	22	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5])	115.6020	0.000	1	115.6020	0.000	1	114.6510	1.761	22	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]H){1|C<2>,1|O<2>}	H(CC[6a]C[5])	115.9750	0.000	1	115.9750	0.000	1	114.6510	1.761	22	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]H){1|O<1>,3|C<3>}	H(CC[6a]C[5])	112.9200	0.000	1	112.9200	0.000	1	114.6510	1.761	22	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H){1|C<3>}	H(CC[6a]C[5])	116.2562	0.295	4	116.1766	0.097	5	114.6510	1.761	22	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H){1|C<4>}	H(CC[6a]C[5])	115.8580	0.000	1	116.1766	0.097	5	114.6510	1.761	22	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]H){1|C<4>,1|O<1>}	H(CC[6a]C[5])	112.8850	0.000	1	112.8850	0.000	1	114.6510	1.761	22	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]H){1|C<4>,1|O<1>}	H(CC[6a]C[5])	114.3250	0.600	3	114.4138	0.246	5	114.6510	1.761	22	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]H){1|H<1>,1|O<1>}	H(CC[6a]C[5])	114.5470	0.455	2	114.4138	0.246	5	114.6510	1.761	22	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	N[5,5]-3:C[5]-3:C-3:	C-3:	C(C[5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]O)(CC[6a]H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	H(CC[6a]C[5])	113.4120	0.000	1	113.4120	0.000	1	114.2260	0.373	4	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	N[5,5]-3:C[5]-3:C-3:	C-3:	C(C[5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]O)(CC[6a]H){1|H<1>,2|C<3>,2|C<4>}	H(CC[6a]C[5])	114.4973	0.342	3	114.4973	0.117	3	114.2260	0.373	4	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	N[5,6]-3:C[5]-3:C-3:	C-3:	C(C[5]N[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]N[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CC[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]C[5])	115.4840	0.000	1	115.4840	0.000	1	115.4840	0.000	1	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:H-1:	P[5,6]-3:C[5]-3:C-3:	C-3:	C(C[5]P[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](P[5,6]C[5,6]C[6])(C[5]C[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]P[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](P[5,6]C[5,6]C[6])(C[5]C[5]C)(CC[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]C[5])	115.4060	0.000	1	115.4060	0.000	1	115.4060	0.000	1	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:	C(C[5]C[5,6a]2)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHN)	H(CC[5]N)	C(C[5]C[5,6a]2)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHN){2|H<1>,4|C<3>}	H(CC[5]N)	116.4640	0.000	1	116.4640	0.000	1	116.4640	0.000	1	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(NCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Cl)(CHN)	H(CC[5]N)	C(C[5]C[5,6a]C[5])(NCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Cl)(CHN){1|H<1>,3|C<3>}	H(CC[5]N)	114.2440	0.171	2	114.2440	0.029	2	115.0260	6.017	5	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(NCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(CHN)	H(CC[5]N)	C(C[5]C[5,6a]C[5])(NCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(CHN){1|H<1>,3|C<3>}	H(CC[5]N)	113.6450	0.536	2	113.6450	0.287	2	115.0260	6.017	5	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(NCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHN)	H(CC[5]N)	C(C[5]C[5,6a]C[5])(NCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHN){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]N)	119.3520	0.000	1	119.3520	0.000	1	115.0260	6.017	5	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NCC)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NCC)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHN){4|C<3>}	H(CC[5]N)	115.5460	0.000	1	115.5460	0.000	1	116.3296	3.656	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NCC)(H)	C[5](C[5]N[5]O)2(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NCC)(H)	C[5](C[5]N[5]O)2(CHN){2|C<3>}	H(CC[5]N)	113.6920	0.000	1	113.6920	0.000	1	116.3296	3.656	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NCH)(H)	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NCH)(H)	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CHN){2|C<3>}	H(CC[5]N)	117.1610	0.000	1	117.1610	0.000	1	116.3296	3.656	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NCH)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NCH)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CHN){1|C<3>}	H(CC[5]N)	118.1550	0.372	6	118.1550	0.138	6	116.3296	3.656	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NCH)(H)	C[5](C[5]N[5]O)2(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NCH)(H)	C[5](C[5]N[5]O)2(CHN){1|C<3>,1|H<1>}	H(CC[5]N)	118.2870	0.000	1	118.2870	0.000	1	116.3296	3.656	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NC[6]Mg)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NC[6]Mg)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHN){2|H<1>}	H(CC[5]N)	114.9300	0.184	4	114.9300	0.034	4	116.3296	3.656	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NC[6]Pd)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NC[6]Pd)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHN){2|H<1>}	H(CC[5]N)	113.7720	0.375	2	113.7720	0.140	2	116.3296	3.656	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NC[6a]Al)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NC[6a]Al)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHN){2|H<1>}	H(CC[5]N)	115.3770	0.605	2	115.3770	0.366	2	116.3296	3.656	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NC[6a]Cu)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NC[6a]Cu)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHN){2|H<1>}	H(CC[5]N)	115.0441	0.392	8	115.0441	0.154	8	116.3296	3.656	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NC[6a]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NC[6a]H)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHN){2|H<1>}	H(CC[5]N)	117.5997	0.944	3	117.5997	0.890	3	116.3296	3.656	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NC[6a]H)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NC[6a]H)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CHN){1|C<3>}	H(CC[5]N)	118.4830	0.000	1	118.4830	0.000	1	116.3296	3.656	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NC[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NC[6a]H)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CHN){1|H<1>,3|C<3>}	H(CC[5]N)	116.1610	0.000	1	116.1610	0.000	1	116.3296	3.656	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NC[6a]H)(H)	C[5](C[5]N[5]O)2(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NC[6a]H)(H)	C[5](C[5]N[5]O)2(CHN){1|C<3>,1|H<1>}	H(CC[5]N)	119.3443	0.243	3	119.3443	0.059	3	116.3296	3.656	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NC[6a]Li)(H)	C[5](C[5]C[5]H)2(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NC[6a]Li)(H)	C[5](C[5]C[5]H)2(CHN){2|H<1>}	H(CC[5]N)	112.7530	0.000	1	112.7530	0.000	1	116.3296	3.656	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NC[6a]Pd)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NC[6a]Pd)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CHN){2|H<1>}	H(CC[5]N)	116.0460	0.622	6	116.0460	0.386	6	116.3296	3.656	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NC[6a]Pt)(H)	C[5](C[5]C[5]Pt)(C[5]C[5]C)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NC[6a]Pt)(H)	C[5](C[5]C[5]Pt)(C[5]C[5]C)(CHN){1|C<3>,1|H<1>}	H(CC[5]N)	121.3550	0.000	1	121.3550	0.000	1	116.3296	3.656	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NC[6a]Si)(H)	C[5](C[5]C[5]H)2(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NC[6a]Si)(H)	C[5](C[5]C[5]H)2(CHN){2|H<1>}	H(CC[5]N)	114.3270	0.000	1	114.3270	0.000	1	116.3296	3.656	43	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NCH)(H)	C[5](C[5]C[5]O)(N[5]C[5]C)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NCH)(H)	C[5](C[5]C[5]O)(N[5]C[5]C)(CHN){4|H<1>}	H(CC[5]N)	118.4530	0.000	1	118.4530	0.000	1	121.0355	3.204	4	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NC[6a]Pd)(H)	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NC[6a]Pd)(H)	C[5](C[5]C[6a]C[5])(N[5]N[5]Pd)(CHN){1|Pd<4>,3|C<3>}	H(CC[5]N)	121.9835	0.821	2	121.9835	0.674	2	121.0355	3.204	4	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NNiC)(H)	C[5](C[5]N[5]Br)(N[5]C[5]Ni)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NNiC)(H)	C[5](C[5]N[5]Br)(N[5]C[5]Ni)(CHN){2|H<1>}	H(CC[5]N)	121.7220	0.000	1	121.7220	0.000	1	121.0355	3.204	4	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NAgC)(H)	C[5](N[5]C[5]Ag)(C[5]N[5]C)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NAgC)(H)	C[5](N[5]C[5]Ag)(C[5]N[5]C)(CHN){2|H<1>}	H(CC[5]N)	114.9220	0.000	1	114.9220	0.000	1	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NC[6]Cu)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]C)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NC[6]Cu)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]C)(CHN){2|H<1>}	H(CC[5]N)	122.4780	0.168	2	122.4780	0.028	2	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NC[6a]Cd)(H)	C[5](N[5]C[5]Cd)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NC[6a]Cd)(H)	C[5](N[5]C[5]Cd)(C[5]N[5]H)(CHN){2|H<1>}	H(CC[5]N)	119.7690	0.000	1	119.7690	0.000	1	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NC[6a]Fe)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NC[6a]Fe)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHN){2|H<1>}	H(CC[5]N)	122.8330	1.021	2	122.8330	1.043	2	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NC[6a]Fe)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NC[6a]Fe)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHN){2|H<1>}	H(CC[5]N)	123.5530	0.000	1	123.5530	0.000	1	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NC[6a]H)(H)	C[5](N[5]P[5,6]C[6a])(C[5]P[5,6]O)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NC[6a]H)(H)	C[5](N[5]P[5,6]C[6a])(C[5]P[5,6]O)(CHN){2|C<3>,2|C<4>}	H(CC[5]N)	120.0910	0.000	1	120.0910	0.000	1	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NC[6a]Ni)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NC[6a]Ni)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CHN){2|H<1>}	H(CC[5]N)	120.8060	0.000	1	120.8060	0.000	1	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NCoC)(H)	C[5](N[5]C[5]Co)(C[5]N[5]C)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NCoC)(H)	C[5](N[5]C[5]Co)(C[5]N[5]C)(CHN){1|Co<4>,1|C<4>}	H(CC[5]N)	121.2990	0.000	1	121.9948	0.131	9	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NCoC)(H)	C[5](N[5]C[5]Co)(C[5]N[5]C)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NCoC)(H)	C[5](N[5]C[5]Co)(C[5]N[5]C)(CHN){1|Co<4>,1|H<1>}	H(CC[5]N)	122.0316	0.246	7	121.9948	0.131	9	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NCoC)(H)	C[5](N[5]C[5]Co)(C[5]N[5]C)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NCoC)(H)	C[5](N[5]C[5]Co)(C[5]N[5]C)(CHN){1|Co<5>,1|C<4>}	H(CC[5]N)	122.4330	0.000	1	121.9948	0.131	9	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NCoC)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NCoC)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(CHN){1|C<3>,1|H<1>}	H(CC[5]N)	120.4997	0.126	3	121.1385	2.328	19	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NCoC)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NCoC)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(CHN){1|Co<4>,1|C<4>}	H(CC[5]N)	120.7704	0.660	5	121.1385	2.328	19	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NCoC)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NCoC)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(CHN){1|Co<5>,1|C<4>}	H(CC[5]N)	121.9112	0.515	5	121.1385	2.328	19	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NCoC)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NCoC)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(CHN){2|H<1>}	H(CC[5]N)	121.1207	2.615	6	121.1385	2.328	19	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NCoC)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NCoC)(H)	C[5](N[5]N[5]Co)(C[5]C[5]H)(CHN){1|C<4>,1|H<1>}	H(CC[5]N)	121.1180	0.000	1	121.1180	0.000	1	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NCoN)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NCoN)(H)	C[5](N[5]C[5]Co)(C[5]N[5]H)(CHN){2|H<1>}	H(CC[5]N)	122.5500	1.396	9	122.5500	1.949	9	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NCuC)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NCuC)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHN){1|C<3>,1|H<1>}	H(CC[5]N)	119.9420	0.000	1	120.6030	10.123	28	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NCuC)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NCuC)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHN){1|C<4>,1|H<1>}	H(CC[5]N)	119.1904	4.746	11	120.6030	10.123	28	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NCuC)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NCuC)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHN){1|Cu<5>,1|C<4>}	H(CC[5]N)	121.9430	1.031	5	120.6030	10.123	28	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NCuC)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NCuC)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHN){1|Cu<5>,1|H<1>}	H(CC[5]N)	121.1856	0.222	8	120.6030	10.123	28	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NCuC)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NCuC)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHN){2|H<1>}	H(CC[5]N)	122.2160	0.895	3	120.6030	10.123	28	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NCuC)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NCuC)(H)	C[5](N[5]N[5]Cu)(C[5]C[5]H)(CHN){1|Cu<5>,1|C<3>}	H(CC[5]N)	121.8522	0.167	8	121.8522	0.028	8	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NCuN)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NCuN)(H)	C[5](N[5]C[5]Cu)(C[5]N[5]H)(CHN){1|C<4>,1|H<1>}	H(CC[5]N)	123.1920	0.000	1	123.1920	0.000	1	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NFeC)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]C)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NFeC)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]C)(CHN){2|H<1>}	H(CC[5]N)	121.0840	0.994	2	121.0840	0.988	2	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NFeC)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NFeC)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHN){1|C<3>,1|H<1>}	H(CC[5]N)	121.1111	1.530	7	121.5601	1.196	82	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NFeC)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NFeC)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHN){1|C<4>,1|H<1>}	H(CC[5]N)	121.3686	1.039	58	121.5601	1.196	82	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NFeC)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NFeC)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHN){2|H<1>}	H(CC[5]N)	122.3984	0.606	17	121.5601	1.196	82	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NFeC)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NFeC)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHN){1|C<4>,1|H<1>}	H(CC[5]N)	122.1640	0.127	2	122.0128	0.345	17	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NFeC)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NFeC)(H)	C[5](N[5]N[5]Fe)(C[5]C[5]H)(CHN){2|H<1>}	H(CC[5]N)	121.9926	0.624	15	122.0128	0.345	17	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NFeC)(H)	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NFeC)(H)	C[5](N[5]N[5]Fe)(C[5]N[5]H)(CHN){1|C<4>}	H(CC[5]N)	121.9823	0.767	10	121.9823	0.589	10	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NFeN)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NFeN)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHN){1|C<4>,1|H<1>}	H(CC[5]N)	124.1200	0.000	1	124.1200	0.000	1	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NMnC)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]C)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NMnC)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]C)(CHN){2|H<1>}	H(CC[5]N)	120.8123	0.087	3	120.8123	0.008	3	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NMnC)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NMnC)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(CHN){1|C<3>,1|H<1>}	H(CC[5]N)	120.2103	0.785	3	120.6569	0.249	11	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NMnC)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NMnC)(H)	C[5](N[5]C[5]Mn)(C[5]N[5]H)(CHN){2|H<1>}	H(CC[5]N)	120.8244	0.248	8	120.6569	0.249	11	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NN[6]Fe)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NN[6]Fe)(H)	C[5](N[5]C[5]Fe)(C[5]N[5]H)(CHN){2|H<1>}	H(CC[5]N)	122.9515	0.699	2	122.9515	0.489	2	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NNiC)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NNiC)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CHN){1|Ni<4>,1|H<1>}	H(CC[5]N)	121.0007	0.385	17	120.8783	0.181	32	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NNiC)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NNiC)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CHN){1|Ni<5>,1|H<1>}	H(CC[5]N)	120.6627	0.452	12	120.8783	0.181	32	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NNiC)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NNiC)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]C)(CHN){2|H<1>}	H(CC[5]N)	121.0470	0.209	3	120.8783	0.181	32	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NNiC)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NNiC)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CHN){1|C<3>,1|H<1>}	H(CC[5]N)	120.9923	0.712	9	121.1648	0.298	18	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NNiC)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NNiC)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CHN){1|Ni<4>,1|H<1>}	H(CC[5]N)	121.2023	0.177	6	121.1648	0.298	18	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NNiC)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NNiC)(H)	C[5](N[5]C[5]Ni)(C[5]N[5]H)(CHN){2|H<1>}	H(CC[5]N)	121.6070	0.014	3	121.1648	0.298	18	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NNiC)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NNiC)(H)	C[5](N[5]N[5]Ni)(C[5]C[5]H)(CHN){1|C<4>,1|H<1>}	H(CC[5]N)	121.0245	0.261	2	121.0245	0.068	2	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NPdO)(H)	C[5](N[5]C[5]Pd)(C[5]S[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NPdO)(H)	C[5](N[5]C[5]Pd)(C[5]S[5]H)(CHN){1|N<3>}	H(CC[5]N)	122.3810	0.000	1	122.3810	0.000	1	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NRuO)(H)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NRuO)(H)	C[5](N[5]C[5]Ru)(C[5]N[5]H)(CHN){2|H<1>}	H(CC[5]N)	120.4640	3.111	3	120.4640	9.678	3	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NZnC)(H)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NZnC)(H)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(CHN){1|C<3>,1|H<1>}	H(CC[5]N)	120.4343	0.409	3	120.7148	0.161	6	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(NZnC)(H)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(CHN)	H(CC[5]N)	C(C[5]C[5]N[5])(NZnC)(H)	C[5](N[5]C[5]Zn)(C[5]N[5]H)(CHN){2|H<1>}	H(CC[5]N)	120.9953	0.009	3	120.7148	0.161	6	121.3552	2.270	274	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(NCC)(H)	C[5](N[5]C[6a]C[5])2(CHN)	H(CC[5]N)	C(C[5]N[5]2)(NCC)(H)	C[5](N[5]C[6a]C[5])2(CHN){2|H<1>,4|C<3>}	H(CC[5]N)	118.4750	0.000	1	118.4750	0.000	1	122.2353	1.899	73	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(NC[6a]Co)(H)	C[5](N[5]C[5]Co)(N[5]C[5]H)(CHN)	H(CC[5]N)	C(C[5]N[5]2)(NC[6a]Co)(H)	C[5](N[5]C[5]Co)(N[5]C[5]H)(CHN){2|H<1>}	H(CC[5]N)	122.9780	0.000	1	122.9780	0.000	1	122.2353	1.899	73	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(NC[6a]Fe)(H)	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHN)	H(CC[5]N)	C(C[5]N[5]2)(NC[6a]Fe)(H)	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHN){2|H<1>}	H(CC[5]N)	122.5132	0.373	10	122.5132	0.139	10	122.2353	1.899	73	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(NC[6a]Fe)(H)	C[5](N[5]C[5]Fe)(N[5]C[5]H)(CHN)	H(CC[5]N)	C(C[5]N[5]2)(NC[6a]Fe)(H)	C[5](N[5]C[5]Fe)(N[5]C[5]H)(CHN){2|H<1>}	H(CC[5]N)	121.9895	0.654	4	121.9895	0.428	4	122.2353	1.899	73	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(NC[6a]Mn)(H)	C[5](N[5]C[5]Mn)(N[5]C[5]C)(CHN)	H(CC[5]N)	C(C[5]N[5]2)(NC[6a]Mn)(H)	C[5](N[5]C[5]Mn)(N[5]C[5]C)(CHN){2|H<1>}	H(CC[5]N)	121.5883	0.244	4	121.5883	0.060	4	122.2353	1.899	73	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(NC[6a]Ru)(H)	C[5](N[5]C[5]Ru)(N[5]C[5]H)(CHN)	H(CC[5]N)	C(C[5]N[5]2)(NC[6a]Ru)(H)	C[5](N[5]C[5]Ru)(N[5]C[5]H)(CHN){2|H<1>}	H(CC[5]N)	122.8140	0.000	1	122.8140	0.000	1	122.2353	1.899	73	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(NCoC)(H)	C[5](N[5]C[5]Co)(N[5]C[5]C)(CHN)	H(CC[5]N)	C(C[5]N[5]2)(NCoC)(H)	C[5](N[5]C[5]Co)(N[5]C[5]C)(CHN){2|H<1>}	H(CC[5]N)	122.5560	0.000	1	122.5560	0.000	1	122.2353	1.899	73	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(NCoC)(H)	C[5](N[5]C[5]Co)(N[5]C[5]H)(CHN)	H(CC[5]N)	C(C[5]N[5]2)(NCoC)(H)	C[5](N[5]C[5]Co)(N[5]C[5]H)(CHN){2|H<1>}	H(CC[5]N)	122.9780	0.079	2	122.9780	0.006	2	122.2353	1.899	73	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(NCuC)(H)	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CHN)	H(CC[5]N)	C(C[5]N[5]2)(NCuC)(H)	C[5](N[5]C[5]Cu)(N[5]C[5]C)(CHN){2|H<1>}	H(CC[5]N)	122.3420	0.000	1	122.3420	0.000	1	122.2353	1.899	73	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(NFeC)(H)	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHN)	H(CC[5]N)	C(C[5]N[5]2)(NFeC)(H)	C[5](N[5]C[5]Fe)(N[5]C[5]C)(CHN){2|H<1>}	H(CC[5]N)	122.6373	0.681	21	122.6373	0.464	21	122.2353	1.899	73	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(NFeC)(H)	C[5](N[5]C[5]Fe)(N[5]C[5]H)(CHN)	H(CC[5]N)	C(C[5]N[5]2)(NFeC)(H)	C[5](N[5]C[5]Fe)(N[5]C[5]H)(CHN){2|H<1>}	H(CC[5]N)	123.2895	0.133	13	123.2895	0.018	13	122.2353	1.899	73	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(NIrC)(H)	C[5](N[5]C[5]Ir)(N[5]C[5]C)(CHN)	H(CC[5]N)	C(C[5]N[5]2)(NIrC)(H)	C[5](N[5]C[5]Ir)(N[5]C[5]C)(CHN){2|H<1>}	H(CC[5]N)	120.9460	1.881	4	120.9460	3.539	4	122.2353	1.899	73	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(NNiC)(H)	C[5](N[5]C[5]Ni)(N[5]C[5]C)(CHN)	H(CC[5]N)	C(C[5]N[5]2)(NNiC)(H)	C[5](N[5]C[5]Ni)(N[5]C[5]C)(CHN){2|H<1>}	H(CC[5]N)	122.0267	0.124	3	122.0267	0.015	3	122.2353	1.899	73	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(NOO)(H)	C[5](N[5]C[5,6]C)2(CHN)	H(CC[5]N)	C(C[5]N[5]2)(NOO)(H)	C[5](N[5]C[5,6]C)2(CHN){2|H<1>,2|N<3>}	H(CC[5]N)	116.5860	0.000	1	116.5860	0.000	1	122.2353	1.899	73	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(NOO)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(CHN)	H(CC[5]N)	C(C[5]N[5]2)(NOO)(H)	C[5](N[5]C[5]C)(N[5]C[5]H)(CHN){4|H<1>}	H(CC[5]N)	118.7250	0.324	3	118.7250	0.105	3	122.2353	1.899	73	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(NReC)(H)	C[5](N[5]C[5]Re)(N[5]C[5]C)(CHN)	H(CC[5]N)	C(C[5]N[5]2)(NReC)(H)	C[5](N[5]C[5]Re)(N[5]C[5]C)(CHN){2|H<1>}	H(CC[5]N)	121.8980	0.000	1	121.8980	0.000	1	122.2353	1.899	73	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(NRuO)(H)	C[5](N[5]C[5]Ru)(N[5]C[5]H)(CHN)	H(CC[5]N)	C(C[5]N[5]2)(NRuO)(H)	C[5](N[5]C[5]Ru)(N[5]C[5]H)(CHN){2|H<1>}	H(CC[5]N)	122.9730	0.194	2	122.9730	0.038	2	122.2353	1.899	73	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:N[6]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(N[6]C[6]2)(H)	C[5](C[5]N[5]O)2(CN[6]H)	H(CC[5]N[6])	C(C[5]C[5]2)(N[6]C[6]2)(H)	C[5](C[5]N[5]O)2(CN[6]H){1|C<3>,1|H<1>}	H(CC[5]N[6])	114.5660	0.000	1	114.5660	0.000	1	114.5660	0.000	1	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5]-3:P-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(PCC)(H)	C[5](N[5]C[6a]C[5])2(CHP)	H(CC[5]P)	C(C[5]N[5]2)(PCC)(H)	C[5](N[5]C[6a]C[5])2(CHP){2|H<1>,4|C<3>}	H(CC[5]P)	115.9093	0.571	4	115.9093	0.326	4	115.9093	0.326	4	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(C[5]C[5,6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]O[5a])(C[5]C[5,6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5a]H){2|H<1>,4|C<3>}	H(CC[5a]C[5])	111.9940	0.000	1	111.9940	0.000	1	113.4130	4.027	2	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[5]C[5,6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]S[5a])(C[5]C[5,6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5a]H){2|H<1>,4|C<3>}	H(CC[5a]C[5])	114.8320	0.000	1	114.8320	0.000	1	113.4130	4.027	2	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]H){1|C<3>}	H(CC[5a]C[5])	112.5160	0.000	1	112.5160	0.000	1	114.5426	5.146	30	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5a]C[5a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]O)2(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]O)2(CC[5a]H){2|C<3>}	H(CC[5a]C[5])	114.5100	0.000	1	114.5100	0.000	1	114.5426	5.146	30	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5a]C[5a]2)(C[5]C[5]2)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]2)(C[5]C[5]2)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[5a]H){1|C<3>}	H(CC[5a]C[5])	112.0730	0.000	1	112.0730	0.000	1	114.5426	5.146	30	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[5a]H){2|C<3>}	H(CC[5a]C[5])	116.8045	0.149	2	116.8045	0.022	2	114.5426	5.146	30	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[5a]H){1|O<1>}	H(CC[5a]C[5])	114.2420	0.000	1	114.2420	0.000	1	114.5426	5.146	30	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5]Ni)(C[5]C[5]C)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5]Ni)(C[5]C[5]C)(CC[5a]H){2|C<3>}	H(CC[5a]C[5])	118.9660	0.074	4	118.9660	0.005	4	114.5426	5.146	30	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5]Rh)(C[5]C[5]C)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5]Rh)(C[5]C[5]C)(CC[5a]H){2|C<3>}	H(CC[5a]C[5])	117.4730	0.018	2	117.4730	0.000	2	114.5426	5.146	30	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]S[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[5a]H){2|C<3>}	H(CC[5a]C[5])	113.1406	0.360	12	113.1406	0.130	12	114.5426	5.146	30	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]O)2(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]S[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]O)2(CC[5a]H){2|C<3>}	H(CC[5a]C[5])	113.3860	0.641	4	113.3860	0.410	4	114.5426	5.146	30	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[5]C[5]2)(H)	C[5](C[5]N[5]C)(C[5]O[5]O)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]S[5a])(C[5]C[5]2)(H)	C[5](C[5]N[5]C)(C[5]O[5]O)(CC[5a]H)	H(CC[5a]C[5])	113.6435	0.091	2	113.6435	0.008	2	114.5426	5.146	30	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5a]H){1|C<3>,1|O<1>}	H(CC[5a]C[5])	122.3850	0.000	1	122.3850	0.000	1	115.6165	14.219	6	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[5a]H){1|H<1>,1|O<1>}	H(CC[5a]C[5])	115.4890	0.061	2	115.4890	0.004	2	115.6165	14.219	6	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[5a]H){1|C<4>}	H(CC[5a]C[5])	112.0850	0.000	2	112.0850	0.000	2	115.6165	14.219	6	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[5a]H){1|C<4>,1|O<1>}	H(CC[5a]C[5])	116.1660	0.000	1	116.1660	0.000	1	115.6165	14.219	6	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]N[5,6]C[5])(H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5]O)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]N[5,6]C[5])(H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5]O)(CC[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(CC[5a]C[5])	120.1930	0.000	1	120.1930	0.000	1	120.1930	0.000	1	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5]Co)(C[5]C[5]C)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5]Co)(C[5]C[5]C)(CC[5a]H){1|C<4>,1|O<1>}	H(CC[5a]C[5])	118.9090	0.000	1	118.9090	0.000	1	117.8434	2.621	10	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5]Fe)(C[5]C[5]C)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5]Fe)(C[5]C[5]C)(CC[5a]H){1|C<3>}	H(CC[5a]C[5])	117.5840	0.000	1	117.5840	0.000	1	117.8434	2.621	10	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5]Fe)(C[5]C[5]O)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5]Fe)(C[5]C[5]O)(CC[5a]H){1|C<3>,2|C<4>}	H(CC[5a]C[5])	117.3145	0.547	2	117.3145	0.299	2	117.8434	2.621	10	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5]Ni)(C[5]C[5]C)(CC[5a]H){1|C<4>,1|O<1>}	H(CC[5a]C[5])	119.0953	0.299	3	119.0953	0.089	3	117.8434	2.621	10	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](N[5]C[5]Pd)(C[5]C[5]C)(CC[5a]H){1|C<4>,1|O<1>}	H(CC[5a]C[5])	118.1205	0.149	2	118.1205	0.022	2	117.8434	2.621	10	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CC[5a]H){1|Cl<1>,1|S<2>,2|C<3>}	H(CC[5a]C[5])	113.7850	0.000	1	113.7850	0.000	1	117.8434	2.621	10	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[5a]-3:C[5]-3:H-1:	O[5]-3:C[5]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(H)	C[5](O[5]C[5]Pd)(C[5]C[5]H)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(H)	C[5](O[5]C[5]Pd)(C[5]C[5]H)(CC[5a]H){1|C<3>,1|H<1>}	H(CC[5a]C[5])	114.7830	0.000	1	114.7830	0.000	1	114.7830	0.000	1	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]Fe)(CC[6]H)	H(CC[5]C[6])	C(C[6]C[6]N[6])(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]Fe)(CC[6]H){2|C<3>,2|H<1>}	H(CC[5]C[6])	118.5080	0.000	1	118.5080	0.000	1	118.0150	0.486	2	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[6]C[6]N[6])(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]Ru)(CC[6]H)	H(CC[5]C[6])	C(C[6]C[6]N[6])(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]Ru)(CC[6]H){2|C<3>,2|H<1>}	H(CC[5]C[6])	117.5220	0.000	1	117.5220	0.000	1	118.0150	0.486	2	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	H(CC[6a]C[5])	114.5730	0.000	1	114.5730	0.000	1	114.5730	0.000	1	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])2(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[5a,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])2(CC[6a]H){6|C<3>}	H(CC[6a]C[5])	115.4040	0.000	1	115.4040	0.000	1	114.3623	3.912	52	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a,6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H){1|H<1>,3|C<3>}	H(CC[6a]C[5])	117.8330	0.000	1	117.8330	0.000	1	114.3623	3.912	52	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]O)2(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]O)2(CC[6a]H){2|C<3>}	H(CC[6a]C[5])	106.8170	0.000	1	106.8170	0.000	1	114.3623	3.912	52	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5]C[5]C)2(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5]C[5]C)2(CC[6a]H){2|C<4>}	H(CC[6a]C[5])	115.6440	0.000	1	115.6440	0.000	1	114.3623	3.912	52	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5]C[5]H)2(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5]C[5]H)2(CC[6a]H){2|H<1>}	H(CC[6a]C[5])	116.2630	0.000	1	116.2630	0.000	1	114.3623	3.912	52	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H){1|H<1>,3|C<3>}	H(CC[6a]C[5])	116.2810	0.071	2	116.2810	0.005	2	114.3623	3.912	52	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	H(CC[6a]C[5])	111.9930	0.000	1	111.9930	0.000	1	114.3623	3.912	52	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]C)2(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]C)2(CC[6a]H){2|C<3>}	H(CC[6a]C[5])	114.6610	0.000	1	114.6610	0.000	1	114.3623	3.912	52	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]O)2(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]O)2(CC[6a]H){2|C<3>}	H(CC[6a]C[5])	113.4495	1.916	6	113.4495	3.671	6	114.3623	3.912	52	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]H){1|C<4>,1|N<3>}	H(CC[6a]C[5])	113.9490	0.000	1	113.9490	0.000	1	114.3623	3.912	52	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[6a]H){1|O<1>}	H(CC[6a]C[5])	115.1770	0.000	1	115.1770	0.000	1	114.3623	3.912	52	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H){1|C<3>}	H(CC[6a]C[5])	114.8050	0.000	1	113.6273	1.664	6	114.3623	3.912	52	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H){1|O<1>}	H(CC[6a]C[5])	113.3918	1.290	5	113.6273	1.664	6	114.3623	3.912	52	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])(C[5]O[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])(C[5]O[5]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]C[5])	114.6580	0.000	1	114.6580	0.000	1	114.3623	3.912	52	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5])	114.4990	0.000	1	114.4990	0.000	1	114.3623	3.912	52	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]H){1|C<3>}	H(CC[6a]C[5])	114.4320	0.000	1	114.4320	0.000	1	114.3623	3.912	52	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H){1|H<1>,3|C<3>}	H(CC[6a]C[5])	116.3349	0.872	11	116.2458	0.786	12	114.3623	3.912	52	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H){4|C<3>}	H(CC[6a]C[5])	115.2660	0.000	1	116.2458	0.786	12	114.3623	3.912	52	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]H){3|C<3>}	H(CC[6a]C[5])	112.3740	0.000	1	112.3740	0.000	1	114.3623	3.912	52	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]H){2|C<3>}	H(CC[6a]C[5])	113.4297	0.794	9	113.4297	0.630	9	114.3623	3.912	52	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]N[5]C)(C[5]O[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]N[5]C)(C[5]O[5]O)(CC[6a]H)	H(CC[6a]C[5])	113.0745	0.434	4	113.0745	0.188	4	114.3623	3.912	52	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(CC[6a]H){2|C<4>,4|C<3>}	H(CC[6a]C[5])	111.5060	0.260	2	111.5060	0.068	2	111.5060	0.068	2	117.2123	10.819	1141	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C-3:H-1:	C[5,5]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(CC[5]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCH)	H(CC[5]C)	C(C[5]C[5,5]C[5])(CC[5]H)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCH){1|C<3>,1|C<4>,2|O<1>}	H(CC[5]C)	116.8730	0.000	1	116.8730	0.000	1	116.8730	0.000	1	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C-3:H-1:	C[5,6]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(CCH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(CCH)	H(CC[5]C)	C(C[5]C[5,6]C[5])(CCH)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(CCH){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	H(CC[5]C)	117.8990	0.148	2	117.8990	0.022	2	117.8990	0.022	2	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CBrC)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CBrC)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCH){1|H<1>,3|C<3>}	H(CC[5]C)	117.7950	0.000	1	117.7950	0.000	1	117.2054	1.601	7	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(CCH){4|C<3>}	H(CC[5]C)	116.1335	1.071	2	116.1335	1.148	2	117.2054	1.601	7	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(CC[5]C)	115.7190	0.000	1	115.7190	0.000	1	117.2054	1.601	7	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CCH){1|C<2>,4|C<3>}	H(CC[5]C)	118.2790	0.706	2	118.2790	0.498	2	117.2054	1.601	7	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CCH){2|C<3>,2|H<1>}	H(CC[5]C)	118.0990	0.000	1	118.0990	0.000	1	117.2054	1.601	7	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C-3:H-1:	C[5]-3:Si[5]-4:C-3:	C-3:	C(C[5]Si[5]C[5])(CC[6a]2)(H)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(CCH)	H(CC[5]C)	C(C[5]Si[5]C[5])(CC[6a]2)(H)	C[5](C[5]C[6a]C[5])(Si[5]C[5]CC)(CCH){4|C<3>}	H(CC[5]C)	115.3205	0.829	2	115.3205	0.688	2	115.3205	0.688	2	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CCH){1|H<1>,1|N<2>,3|C<3>}	H(CC[5]C)	118.3220	0.000	1	118.5535	0.107	2	118.5280	0.058	5	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CCH){1|O<1>,4|C<3>}	H(CC[5]C)	118.7850	0.000	1	118.5535	0.107	2	118.5280	0.058	5	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5]N[5])(COO)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(COO)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)(CCH){2|N<3>,3|C<3>}	H(CC[5]C)	118.5360	0.000	1	118.5360	0.000	1	118.5280	0.058	5	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C-3:H-1:	N[5]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5]N[5])(COO)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(COO)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCH){2|C<3>,4|H<1>}	H(CC[5]C)	118.4985	0.347	2	118.4985	0.121	2	118.5280	0.058	5	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)2(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[5]H)	H(CC[5]2)	C(C[5]C[5]2)2(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[5]H){1|H<1>,3|C<3>}	H(CC[5]2)	115.6790	0.000	1	115.6790	0.000	1	115.6790	0.000	1	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd2)(CC[5a]H)	H(CC[5a]C[5])	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd2)(CC[5a]H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5a]C[5])	116.5470	0.541	4	116.5470	0.293	4	116.5470	0.293	4	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CC[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(CC[6a]C[5])	114.7370	0.000	1	114.7370	0.000	1	114.7370	0.000	1	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5,6]-4:C-3:	C-3:	C(C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(CC[6a]C[5])	114.5083	0.233	3	114.5083	0.054	3	114.5083	0.054	3	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CC[6a]H){3|H<1>,4|C<3>}	H(CC[6a]C[5])	116.7690	0.000	1	116.7690	0.000	1	116.6060	0.053	2	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CC[6a]H){1|N<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(CC[6a]C[5])	116.4430	0.000	1	116.4430	0.000	1	116.6060	0.053	2	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]C[5])	114.6470	0.000	1	114.4605	0.070	2	115.1160	0.562	19	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(CC[6a]C[5])	114.2740	0.000	1	114.4605	0.070	2	115.1160	0.562	19	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]H){2|C<3>,3|H<1>}	H(CC[6a]C[5])	115.0540	0.878	2	115.0540	0.771	2	115.1160	0.562	19	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CC[6a]H){1|H<1>,1|O<1>,4|C<3>}	H(CC[6a]C[5])	114.9575	1.327	2	114.9575	1.762	2	115.1160	0.562	19	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CC[6a]H){1|H<1>,4|C<3>}	H(CC[6a]C[5])	115.7022	0.753	4	115.7022	0.566	4	115.1160	0.562	19	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]H){1|H<1>,2|C<3>}	H(CC[6a]C[5])	115.4038	0.577	4	115.4038	0.333	4	115.1160	0.562	19	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CC[6a]H){1|H<1>,1|O<1>,3|C<3>}	H(CC[6a]C[5])	115.6420	0.000	1	115.6420	0.000	1	115.1160	0.562	19	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[6a]H){2|C<3>,2|H<1>}	H(CC[6a]C[5])	114.4325	0.681	2	114.4325	0.464	2	115.1160	0.562	19	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(CC[6a]H){3|C<3>}	H(CC[6a]C[5])	114.4380	0.000	1	114.4380	0.000	1	115.1160	0.562	19	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CC[6a]H){2|C<3>,2|H<1>}	H(CC[6a]C[5])	114.8910	0.000	1	114.8910	0.000	1	115.1160	0.562	19	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-3:C[5,5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(CC[6a]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,4|C<3>}	H(CC[6a]C[5])	117.3530	0.000	1	117.3530	0.000	1	117.3530	0.000	1	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C[6a]-3:H-1:	N[5,6]-3:C[5]-4:C-3:	C-3:	C(C[5]N[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]N[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(CC[6a]H){1|O<2>,2|C<4>,4|H<1>}	H(CC[6a]C[5])	116.2510	0.000	1	116.2510	0.000	1	116.2510	0.000	1	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:C[6a]-3:H-1:	N[5]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]H){1|O<1>,2|C<3>,2|C<4>}	H(CC[6a]C[5])	115.5520	0.000	1	115.5520	0.000	1	115.5520	0.000	1	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(N[6]C[6]2)(H)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CN[6]H)	H(CC[5]N[6])	C(C[5]C[5,6a]C[5])(N[6]C[6]2)(H)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CN[6]H){2|C<3>,2|H<1>}	H(CC[5]N[6])	114.1890	0.000	1	114.1890	0.000	1	114.1890	0.000	1	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5,5]-3:P[5]-4:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(H)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5,5]P[5])(H)	C[5](C[5,5]C[5,5]C[5])(P[5]C[6a]C[5]Pd)(CC[5a]H){2|C<4>,2|H<1>,3|C<3>}	H(CC[5a]C[5])	116.1715	0.671	2	116.1715	0.450	2	116.1715	0.450	2	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(CC[6a]H){2|C<4>,2|H<1>}	H(CC[6a]C[5])	114.5255	0.175	2	114.5255	0.031	2	115.3723	1.027	4	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]H){1|C<4>,1|S<2>,4|H<1>}	H(CC[6a]C[5])	115.9180	0.000	1	115.9180	0.000	1	115.3723	1.027	4	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-3:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>}	H(CC[6a]C[5])	116.5200	0.000	1	116.5200	0.000	1	115.3723	1.027	4	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	3:4:3:	3:	C[6a]-3:C[5]-3:H-1:	N[5]-3:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(CC[6a]C[5])	116.3720	0.000	2	116.3720	0.000	2	116.3720	0.000	2	116.0484	1.871	59	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[4,5,5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[4,5,5]O[5])(COO)(H)	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(O[5]C[5,5])(CCH)	H(CC[5]C)	C(C[5]C[4,5,5]O[5])(COO)(H)	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(O[5]C[5,5])(CCH){1|S<2>,3|H<1>,5|C<4>}	H(CC[5]C)	115.7970	0.000	1	115.7970	0.000	1	115.7970	0.000	1	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5,5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5,5]O[5])(CCO)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5,5]O[5])(CCO)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(CCH){1|N<3>,2|C<3>,2|O<1>}	H(CC[5]C)	118.7780	0.000	1	118.7780	0.000	1	118.4523	0.821	9	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5,5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5,5]O[5])(CNO)(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5,5]O[5])(CNO)(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(CCH){1|O<1>,2|C<4>,2|H<1>}	H(CC[5]C)	118.5630	0.041	2	118.5630	0.002	2	118.4523	0.821	9	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5,5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5,5]O[5])(COO)(H)	C[5](C[5,5]C[5,6]C[5]O[5])(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5,5]O[5])(COO)(H)	C[5](C[5,5]C[5,6]C[5]O[5])(O[5]C[5])(CCH){1|O<2>,2|H<1>,5|C<4>}	H(CC[5]C)	117.0495	0.746	2	117.0495	0.557	2	118.4523	0.821	9	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5,5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5,5]O[5])(COO)(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5,5]O[5])(COO)(H)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(CCH){1|O<1>,2|C<4>,2|H<1>}	H(CC[5]C)	119.0170	0.473	4	119.0170	0.224	4	118.4523	0.821	9	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5,6]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5,6]O[5])(COO)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5,6]O[5])(COO)(H)	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(CCH){2|C<3>,2|C<4>,3|H<1>}	H(CC[5]C)	118.0240	0.221	2	118.0240	0.049	2	118.0240	0.049	2	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(CCC)(H)	C[5](C[5]C[5]HH)(N[5]N[5])(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCC)(H)	C[5](C[5]C[5]HH)(N[5]N[5])(CCH){1|C<3>,2|H<1>}	H(CC[5]C)	115.6462	1.071	4	115.6462	1.147	4	116.1645	3.360	21	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(CC[5]H)(H)	C[5](C[5]C[5]CC)(N[5]N[5])(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[5]H)(H)	C[5](C[5]C[5]CC)(N[5]N[5])(CCH){1|C<3>}	H(CC[5]C)	117.8020	0.000	1	117.2483	0.243	3	116.1645	3.360	21	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(CC[5]H)(H)	C[5](C[5]C[5]CC)(N[5]N[5])(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[5]H)(H)	C[5](C[5]C[5]CC)(N[5]N[5])(CCH){1|C<4>}	H(CC[5]C)	116.9715	0.159	2	117.2483	0.243	3	116.1645	3.360	21	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(CC[5a]H)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[5a]H)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CCH){2|C<3>}	H(CC[5]C)	114.0915	0.368	2	114.0915	0.136	2	116.1645	3.360	21	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(CC[6a]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5])(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[6a]C)(H)	C[5](C[5]C[5]HH)(N[5]N[5])(CCH){1|C<3>,2|H<1>}	H(CC[5]C)	115.5170	0.204	2	115.5170	0.041	2	116.1645	3.360	21	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(CC[6a]H)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[6a]H)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CCH){2|C<3>}	H(CC[5]C)	118.2127	0.743	4	118.2127	0.552	4	116.1645	3.360	21	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(C[5]C[5]N[5])(CC[6a]H)(H)	C[5](C[5]C[5]HH)(N[5]N[5])(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[6a]H)(H)	C[5](C[5]C[5]HH)(N[5]N[5])(CCH){1|H<1>,2|C<3>}	H(CC[5]C)	115.5095	2.369	6	115.5095	5.612	6	116.1645	3.360	21	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(CCH)(H)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(CCH)(H)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]C)	117.4830	0.000	1	117.4830	0.000	1	118.3999	1.150	14	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(CCO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(CCO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(CCH){2|C<4>,2|H<1>}	H(CC[5]C)	115.8230	0.000	1	115.8230	0.000	1	118.3999	1.150	14	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(CCO)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(CCO)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]C)	118.9220	0.000	1	118.9220	0.000	1	118.3999	1.150	14	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(COO)(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(COO)(H)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CCH){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]C)	119.0995	0.255	2	119.0995	0.065	2	118.3999	1.150	14	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(COO)(H)	C[5](C[5]C[5]2H)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(COO)(H)	C[5](C[5]C[5]2H)(O[5]C[5])(CCH){3|C<3>,3|H<1>}	H(CC[5]C)	118.1090	0.833	3	118.1090	0.694	3	118.3999	1.150	14	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(COO)(H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(COO)(H)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCH){2|C<3>,2|H<1>}	H(CC[5]C)	118.2170	0.000	1	118.2170	0.000	1	118.3999	1.150	14	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(COO)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(COO)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]C)	119.5493	0.241	3	119.5493	0.058	3	118.3999	1.150	14	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(COO)(H)	C[5](C[5]C[6a]O[5]C)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(COO)(H)	C[5](C[5]C[6a]O[5]C)(O[5]C[5])(CCH){1|C<4>,3|C<3>}	H(CC[5]C)	117.9895	0.238	2	117.9895	0.057	2	118.3999	1.150	14	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(CCH)(H)	C[5](C[5]C[5]CH)(S[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]S[5])(CCH)(H)	C[5](C[5]C[5]CH)(S[5]C[5])(CCH){1|C<3>,1|C<4>}	H(CC[5]C)	118.1120	0.000	1	117.7990	0.196	2	118.4360	0.371	7	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(CCH)(H)	C[5](C[5]C[5]CH)(S[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]S[5])(CCH)(H)	C[5](C[5]C[5]CH)(S[5]C[5])(CCH){2|C<3>,2|H<1>}	H(CC[5]C)	117.4860	0.000	1	117.7990	0.196	2	118.4360	0.371	7	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(CC[5a]O)(H)	C[5](C[5]C[5]CC)(S[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]S[5])(CC[5a]O)(H)	C[5](C[5]C[5]CC)(S[5]C[5])(CCH){1|C<3>,3|H<1>}	H(CC[5]C)	118.2270	0.000	1	118.2270	0.000	1	118.4360	0.371	7	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(CC[6a]O)(H)	C[5](C[5]C[5]CC)(S[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]S[5])(CC[6a]O)(H)	C[5](C[5]C[5]CC)(S[5]C[5])(CCH){1|C<3>,3|H<1>}	H(CC[5]C)	118.8440	0.000	1	118.8440	0.000	1	118.4360	0.371	7	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(CC[6a]O)(H)	C[5](C[5]N[5,5a]C[6a]O)(S[5]C[5,5a])(CCH)	H(CC[5]C)	C(C[5]C[5]S[5])(CC[6a]O)(H)	C[5](C[5]N[5,5a]C[6a]O)(S[5]C[5,5a])(CCH){2|C<3>,2|N<2>}	H(CC[5]C)	118.9325	0.715	2	118.9325	0.511	2	118.4360	0.371	7	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(COO)(H)	C[5](C[5]C[5,5]CH)(S[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]S[5])(COO)(H)	C[5](C[5]C[5,5]CH)(S[5]C[5])(CCH){1|N<2>,2|N<3>}	H(CC[5]C)	118.5180	0.000	1	118.5180	0.000	1	118.4360	0.371	7	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5,5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5]O[5])(O[5]C[5,6a])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5]O[5])(O[5]C[5,6a])(CC[6a]H){1|C<4>,1|O<2>,3|C<3>}	H(CC[6a]C[5])	114.9880	0.000	1	114.9880	0.000	1	114.9880	0.000	1	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6]-4:S[5]-2:C-3:	C-3:	C(C[5]C[5,6]S[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[6]2O[5])(S[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6]S[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[6]2O[5])(S[5]C[5])(CC[6a]H){1|O<1>,2|C<4>,4|H<1>}	H(CC[6a]C[5])	115.2650	0.000	1	115.2650	0.000	1	115.2650	0.000	1	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CC[6a]H){1|C<3>,1|C<4>}	H(CC[6a]C[5])	114.9720	0.000	1	114.9720	0.000	1	115.1728	0.500	12	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(CC[6a]H){2|C<3>,4|H<1>}	H(CC[6a]C[5])	115.6430	0.000	1	115.6430	0.000	1	115.1728	0.500	12	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CC[6a]H){1|C<4>,1|O<1>,2|C<3>}	H(CC[6a]C[5])	115.0593	0.155	3	115.0593	0.024	3	115.1728	0.500	12	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]H){1|C<4>,1|O<1>}	H(CC[6a]C[5])	115.6187	0.563	3	115.7047	0.241	4	115.1728	0.500	12	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]H){1|H<1>,1|O<1>}	H(CC[6a]C[5])	115.9630	0.000	1	115.7047	0.241	4	115.1728	0.500	12	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]O[5]CC)(O[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]O[5]CC)(O[5]C[5])(CC[6a]H){1|C<3>,1|C<4>}	H(CC[6a]C[5])	115.0010	0.000	1	114.1835	1.337	2	115.1728	0.500	12	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]O[5]CC)(O[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]O[5]CC)(O[5]C[5])(CC[6a]H){1|O<1>}	H(CC[6a]C[5])	113.3660	0.000	1	114.1835	1.337	2	115.1728	0.500	12	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CC[6a]H){1|C<4>,1|O<2>}	H(CC[6a]C[5])	115.0950	0.000	1	115.0950	0.000	1	115.1728	0.500	12	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-4:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]HH)(S[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]HH)(S[5]C[5])(CC[6a]H){4|H<1>}	H(CC[6a]C[5])	114.9130	0.000	1	114.9130	0.000	1	115.1887	0.902	4	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-4:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(CC[6a]H){1|C<4>,1|N<2>,2|C<3>}	H(CC[6a]C[5])	115.1030	0.000	1	115.1030	0.000	1	115.1887	0.902	4	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-4:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(CC[6a]H){1|C<4>,1|N<2>}	H(CC[6a]C[5])	114.2390	0.000	1	114.2390	0.000	1	115.1887	0.902	4	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-4:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](C[5]O[5]HH)(S[5]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[5](C[5]O[5]HH)(S[5]C[5])(CC[6a]H){1|N<2>}	H(CC[6a]C[5])	116.5000	0.000	1	116.5000	0.000	1	115.1887	0.902	4	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>,2|H<1>}	H(CC[5a]C[5])	118.2250	0.000	1	115.9876	0.984	11	115.9221	0.594	26	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[5a]C[5])	115.5410	0.000	1	115.9876	0.984	11	115.9221	0.594	26	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H){1|C<3>,2|H<1>}	H(CC[5a]C[5])	115.7887	0.732	9	115.9876	0.984	11	115.9221	0.594	26	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]CH)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]CH)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5a]C[5])	115.6240	0.536	7	115.6240	0.288	7	115.9221	0.594	26	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]CO)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]CO)(N[5]C[5])(CC[5a]H){1|C<3>,1|O<1>}	H(CC[5a]C[5])	116.3485	0.786	2	116.3485	0.617	2	115.9221	0.594	26	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C[6]C)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]C[6]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[5a]C[5])	115.9120	0.000	1	115.9120	0.000	1	115.9221	0.594	26	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5a]H){1|C<3>,2|C<4>}	H(CC[5a]C[5])	115.9500	0.820	3	116.0745	0.510	4	115.9221	0.594	26	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5a]H){3|C<4>}	H(CC[5a]C[5])	116.4480	0.000	1	116.0745	0.510	4	115.9221	0.594	26	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:N[5]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]HO)(N[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]HO)(N[5]C[5])(CC[5a]H){1|C<3>,2|C<4>}	H(CC[5a]C[5])	115.8350	0.000	1	115.8350	0.000	1	115.9221	0.594	26	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:2:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5a]H){1|O<1>,2|C<4>}	H(CC[5a]C[5])	117.5575	0.100	2	117.5575	0.010	2	117.5575	0.010	2	116.6619	2.755	100	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[3,5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[3,5]C[5])(COO)(H)	C[5](C[3,5]C[3]C[5]N[3])(C[5]N[5]O)(CCH)	H(CC[5]C)	C(C[5]C[3,5]C[5])(COO)(H)	C[5](C[3,5]C[3]C[5]N[3])(C[5]N[5]O)(CCH){1|C<4>,2|C<3>,3|H<1>}	H(CC[5]C)	118.9360	0.000	1	118.9360	0.000	1	118.9360	0.000	1	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[4,5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[4,5]N[5])(CCH)(H)	C[5](C[4,5]C[5,6a]C[4]N[4])(N[5]C[5,6a]H)(CCH)	H(CC[5]C)	C(C[5]C[4,5]N[5])(CCH)(H)	C[5](C[4,5]C[5,6a]C[4]N[4])(N[5]C[5,6a]H)(CCH){2|H<1>,4|C<3>}	H(CC[5]C)	115.8890	0.000	1	115.8890	0.000	1	115.8890	0.000	1	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5,5,6]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,5,6]C[5])(CC[6a]H)(H)	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[5]C[6a]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5,5,6]C[5])(CC[6a]H)(H)	C[5](C[5,5,6]C[5,5,6]2C[6a])(C[5]C[6a]C[5])(CCH){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	H(CC[5]C)	117.5380	0.000	1	117.5380	0.000	1	117.5380	0.000	1	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5,5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5,5]N[5])(COO)(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]2)(CCH)	H(CC[5]C)	C(C[5]C[5,5]N[5])(COO)(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]2)(CCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(CC[5]C)	118.4950	0.000	1	118.4950	0.000	1	118.7242	0.138	6	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5,5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5,5]N[5])(COO)(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5,5]N[5])(COO)(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCH){1|O<1>,1|O<2>,2|C<3>}	H(CC[5]C)	118.8447	0.490	3	118.7408	0.203	4	118.7242	0.138	6	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5,5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5,5]N[5])(COO)(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5,5]N[5])(COO)(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCH){1|O<2>,2|C<3>,3|O<1>}	H(CC[5]C)	118.4290	0.000	1	118.7408	0.203	4	118.7242	0.138	6	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5,5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5,5]N[5])(COO)(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[6a]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5,5]N[5])(COO)(H)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[6a]C[5])(CCH){1|O<1>,1|O<2>,4|C<3>}	H(CC[5]C)	118.8870	0.000	1	118.8870	0.000	1	118.7242	0.138	6	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(CCH)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5,6]C[5])(CCH)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CCH){1|C<3>,2|C<4>,4|H<1>}	H(CC[5]C)	118.5010	0.000	1	118.5010	0.000	1	118.5010	0.000	1	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5,6]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(CC[6a]O)(H)	C[5](C[5]C[6a]O[5]O)(C[5,6]C[5,6]2)(CCH)	H(CC[5]C)	C(C[5]C[5,6]C[5])(CC[6a]O)(H)	C[5](C[5]C[6a]O[5]O)(C[5,6]C[5,6]2)(CCH){6|C<3>}	H(CC[5]C)	116.9770	0.000	1	116.9770	0.000	1	116.9770	0.000	1	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){1|C<4>,3|H<1>}	H(CC[5]C)	117.6010	0.000	1	115.5288	6.401	5	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	H(CC[5]C)	115.0108	2.597	4	115.5288	6.401	5	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH){1|C<4>,1|H<1>}	H(CC[5]C)	114.8090	0.000	1	114.8090	0.000	1	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCC)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCC)(H)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]O)(CCH){2|C<3>,4|H<1>}	H(CC[5]C)	115.7720	0.000	1	115.7720	0.000	1	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(CCH){2|C<3>}	H(CC[5]C)	116.9870	0.250	2	116.9870	0.063	2	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCH){2|C<3>}	H(CC[5]C)	116.8200	0.000	1	116.8200	0.000	1	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CCH){2|C<3>}	H(CC[5]C)	117.0870	1.174	2	117.0870	1.378	2	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH){4|H<1>}	H(CC[5]C)	113.9820	0.000	1	113.9820	0.000	1	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCH){1|C<2>,2|C<3>}	H(CC[5]C)	117.4147	0.673	3	117.3655	0.573	11	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCH){1|C<3>,2|C<2>}	H(CC[5]C)	117.3470	0.829	8	117.3655	0.573	11	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH){1|C<4>,2|H<1>}	H(CC[5]C)	117.4310	0.000	1	117.4310	0.000	1	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]N)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]N)(CCH){2|H<1>}	H(CC[5]C)	119.8010	0.000	1	119.8010	0.000	1	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]HO)(C[5]C[5]H)(CCH){1|H<1>,1|O<1>,1|O<2>}	H(CC[5]C)	117.0900	0.000	1	117.0900	0.000	1	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(CCH){1|H<1>,5|C<3>}	H(CC[5]C)	114.8070	0.000	1	114.8070	0.000	1	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]C)(CCH){1|O<1>,2|C<3>}	H(CC[5]C)	114.7900	3.243	2	114.7900	10.516	2	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH){1|S<4>,2|H<1>}	H(CC[5]C)	113.4660	0.000	1	113.4660	0.000	1	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH){1|C<3>}	H(CC[5]C)	116.5743	1.226	6	116.5743	1.503	6	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	H(CC[5]C)	116.5157	0.221	8	116.5157	0.049	8	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]Cl)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]Cl)(CCH){4|H<1>}	H(CC[5]C)	119.9560	0.000	1	119.9560	0.000	1	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[5]H)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[5]H)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH){1|C<4>,2|H<1>}	H(CC[5]C)	116.4190	0.390	4	116.4190	0.152	4	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[5a]H)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[5a]H)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH){1|C<3>}	H(CC[5]C)	116.7320	0.236	2	116.7320	0.056	2	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[6]H)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[6]H)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH){1|C<3>}	H(CC[5]C)	115.9965	0.467	2	115.9965	0.218	2	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[6]H)(H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[6]H)(H)	C[5](C[5]O[5]HH)(C[5]C[5]H)(CCH){1|O<1>}	H(CC[5]C)	117.7920	0.000	1	117.7920	0.000	1	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[6a]2)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[6a]2)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CCH){2|C<3>}	H(CC[5]C)	114.4460	0.000	1	114.4460	0.000	1	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[6a]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[6a]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCH){1|C<3>,2|C<2>}	H(CC[5]C)	116.4050	0.000	1	116.4050	0.000	1	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[6a]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){1|H<1>,1|O<2>,2|C<4>}	H(CC[5]C)	117.3740	0.000	1	117.3740	0.000	1	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[6a]H)(H)	C[5](C[5]N[5]CO)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[6a]H)(H)	C[5](C[5]N[5]CO)(C[5]C[5]C)(CCH){1|C<3>,1|C<4>}	H(CC[5]C)	117.2520	0.000	1	117.2520	0.000	1	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[6a]H)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[6a]H)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH){1|C<3>}	H(CC[5]C)	117.1859	1.319	10	117.0502	1.768	11	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[6a]H)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[6a]H)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH){1|O<1>}	H(CC[5]C)	115.6930	0.000	1	117.0502	1.768	11	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[6a]H)(H)	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[6a]H)(H)	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH){1|C<3>}	H(CC[5]C)	116.5123	0.503	3	116.4535	0.183	4	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[6a]H)(H)	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[6a]H)(H)	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH){1|O<1>}	H(CC[5]C)	116.2770	0.000	1	116.4535	0.183	4	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[6a]O)(H)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[6a]O)(H)	C[5](C[5]C[6a]O[5]O)(C[5]C[5]C)(CCH){3|C<3>}	H(CC[5]C)	116.8710	0.000	1	116.8710	0.000	1	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CHH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CHH)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH){1|S<4>,2|H<1>}	H(CC[5]C)	116.9730	0.000	1	116.9730	0.000	1	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(COO)(H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(COO)(H)	C[5](C[5]C[5,6a]C[6a]2)(C[5]C[5,6a]O)(CCH){6|C<3>}	H(CC[5]C)	113.9790	0.000	1	113.9790	0.000	1	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(COO)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(COO)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCH){2|C<3>}	H(CC[5]C)	118.9700	0.000	1	118.9700	0.000	1	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(COO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(COO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH){4|C<4>}	H(CC[5]C)	119.1850	0.938	2	119.1850	0.879	2	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(COO)(H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(COO)(H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCH){1|C<3>,1|O<1>}	H(CC[5]C)	117.1100	0.000	1	117.1100	0.000	1	116.6906	2.160	81	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCC)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCC)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CCH){2|C<3>}	H(CC[5]C)	123.5120	0.000	1	123.5120	0.000	1	117.5032	1.830	95	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	H(CC[5]C)	117.0880	0.409	8	117.0880	0.167	8	117.5032	1.830	95	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCH)(H)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCH)(H)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(CCH){1|C<4>,3|C<3>}	H(CC[5]C)	117.2740	0.000	1	117.2740	0.000	1	117.5032	1.830	95	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCN)(H)	C[5](C[5]C[5]HH)(N[5]C[5]Cu)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCN)(H)	C[5](C[5]C[5]HH)(N[5]C[5]Cu)(CCH){4|H<1>}	H(CC[5]C)	117.0728	0.434	5	117.0728	0.189	5	117.5032	1.830	95	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCN)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCN)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCH){4|H<1>}	H(CC[5]C)	117.7930	0.000	1	117.7930	0.000	1	117.5032	1.830	95	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCO)(H)	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCO)(H)	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]H)(CCH){2|C<3>}	H(CC[5]C)	118.0610	0.000	1	118.0610	0.000	1	117.5032	1.830	95	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH){1|O<1>,2|H<1>}	H(CC[5]C)	119.0890	0.000	1	119.0890	0.000	1	117.5032	1.830	95	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCO)(H)	C[5](C[5]N[5]CC)(N[5]C[5]Ni)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCO)(H)	C[5](C[5]N[5]CC)(N[5]C[5]Ni)(CCH){1|O<1>,2|C<4>}	H(CC[5]C)	115.7155	1.831	2	115.7155	3.351	2	117.5032	1.830	95	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CC[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH){4|H<1>}	H(CC[5]C)	115.8810	0.366	4	115.8810	0.134	4	117.5032	1.830	95	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CC[5]O)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[5]O)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	H(CC[5]C)	115.1230	0.834	2	115.1230	0.696	2	117.5032	1.830	95	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CC[5a]H)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[5a]H)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	H(CC[5]C)	116.6755	0.124	2	116.6755	0.015	2	117.5032	1.830	95	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CC[6]H)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[6]H)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	H(CC[5]C)	117.4156	0.871	20	117.4156	0.759	20	117.5032	1.830	95	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CC[6a]H)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[6a]H)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	H(CC[5]C)	118.0245	0.723	33	118.0245	0.523	33	117.5032	1.830	95	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CC[6a]N)(H)	C[5](C[5]C[5]HH)(N[5]C[5]Cu)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[6a]N)(H)	C[5](C[5]C[5]HH)(N[5]C[5]Cu)(CCH){4|H<1>}	H(CC[5]C)	117.0520	0.000	1	117.0520	0.000	1	117.5032	1.830	95	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CC[6a]O)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[6a]O)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	H(CC[5]C)	114.6070	0.545	4	114.6070	0.297	4	117.5032	1.830	95	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CC[6a]O)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[6a]O)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCH){2|C<3>}	H(CC[5]C)	118.6390	0.000	1	118.6390	0.000	1	117.5032	1.830	95	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CC[6a]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[6a]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH){4|H<1>}	H(CC[5]C)	118.0740	0.000	1	118.0740	0.000	1	117.5032	1.830	95	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CC[6a]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CC[6a]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCH){4|H<1>}	H(CC[5]C)	118.3880	0.000	1	118.3880	0.000	1	117.5032	1.830	95	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CHO)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]Pd)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CHO)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]Pd)(CCH){2|C<3>}	H(CC[5]C)	118.1850	0.374	3	118.1850	0.140	3	117.5032	1.830	95	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(COO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(COO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCH){1|C<3>,2|H<1>}	H(CC[5]C)	120.1415	1.252	2	120.1415	1.568	2	117.5032	1.830	95	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(COO)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(COO)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CCH){1|O<1>,2|C<3>,2|H<1>}	H(CC[5]C)	117.9150	0.000	1	117.9150	0.000	1	117.5032	1.830	95	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	P[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]P[5])(CC[6a]H)(H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]H)(CCH)	H(CC[5]C)	C(C[5]C[5]P[5])(CC[6a]H)(H)	C[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]H)(CCH){4|C<3>}	H(CC[5]C)	117.5397	0.565	3	117.5397	0.320	3	117.5118	0.216	4	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	P[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]P[5])(CHH)(H)	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]P[5])(CHH)(H)	C[5](P[5]C[6a]C[5]W)(C[5]C[5]C)(CCH){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]C)	117.4280	0.000	1	117.4280	0.000	1	117.5118	0.216	4	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C-3:H-1:	S[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]S[5])(CCH)(H)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CCH)	H(CC[5]C)	C(C[5]C[5]S[5])(CCH)(H)	C[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CCH){2|C<3>}	H(CC[5]C)	115.9125	0.491	2	115.9125	0.242	2	115.9125	0.242	2	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[4]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[4]C[4]2)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4]H)	H(CC[4]C[5])	C(C[5]C[5]N[5])(C[4]C[4]2)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4]H){2|C<3>}	H(CC[4]C[5])	113.8780	0.206	3	113.8780	0.042	3	116.2834	5.110	7	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[4]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[4]C[4]2)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CC[4]H)	H(CC[4]C[5])	C(C[5]C[5]N[5])(C[4]C[4]2)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CC[4]H){2|C<3>}	H(CC[4]C[5])	118.0875	0.259	4	118.0875	0.067	4	116.2834	5.110	7	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[4a]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[4a]C[4a]2)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H)	H(CC[4a]C[5])	C(C[5]C[5]N[5])(C[4a]C[4a]2)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H){2|C<3>}	H(CC[4a]C[5])	114.0123	0.405	9	114.0123	0.164	9	114.3940	1.602	10	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[4a]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[4a]C[4a]2)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CC[4a]H)	H(CC[4a]C[5])	C(C[5]C[5]N[5])(C[4a]C[4a]2)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CC[4a]H){2|C<3>}	H(CC[4a]C[5])	117.8290	0.000	1	117.8290	0.000	1	114.3940	1.602	10	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5]H)	H(CC[5]2)	C(C[5]C[5,6a]C[5])(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[5]H){4|H<1>}	H(CC[5]2)	112.7190	0.000	1	112.7190	0.000	1	114.5800	3.532	3	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[5]C[5]2)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[5]H)	H(CC[5]2)	C(C[5]C[5,6a]C[5])(C[5]C[5]2)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[5]H){1|S<4>,2|H<1>}	H(CC[5]2)	114.5440	0.000	1	114.5440	0.000	1	114.5800	3.532	3	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)2(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]H)	H(CC[5]2)	C(C[5]C[5]2)2(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]H){1|C<4>,1|O<1>}	H(CC[5]2)	116.4770	0.000	1	116.4770	0.000	1	114.5800	3.532	3	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[5]N[5]O[5])(H)	C[5](C[5]C[5]HH)(N[5]C[5]Ni)(CC[5]H)	H(CC[5]2)	C(C[5]C[5]N[5])(C[5]N[5]O[5])(H)	C[5](C[5]C[5]HH)(N[5]C[5]Ni)(CC[5]H){1|C<3>,2|H<1>}	H(CC[5]2)	120.1041	1.441	16	120.1041	2.075	16	118.4826	2.226	46	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[5]N[5]O[5])(H)	C[5](C[5]C[5]HH)(N[5]C[5]Rh)(CC[5]H)	H(CC[5]2)	C(C[5]C[5]N[5])(C[5]N[5]O[5])(H)	C[5](C[5]C[5]HH)(N[5]C[5]Rh)(CC[5]H){1|C<3>,2|H<1>}	H(CC[5]2)	117.9637	0.254	6	117.9637	0.064	6	118.4826	2.226	46	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])2(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]Co)(CC[5]H)	H(CC[5]2)	C(C[5]C[5]N[5])2(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]Co)(CC[5]H){1|O<2>,3|C<4>}	H(CC[5]2)	117.5020	0.000	1	117.5020	0.000	1	118.4826	2.226	46	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])2(H)	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]H)	H(CC[5]2)	C(C[5]C[5]N[5])2(H)	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	H(CC[5]2)	117.4654	0.227	7	117.5706	0.314	9	118.4826	2.226	46	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])2(H)	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]H)	H(CC[5]2)	C(C[5]C[5]N[5])2(H)	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]H){1|N<2>,2|C<4>}	H(CC[5]2)	117.9385	1.361	2	117.5706	0.314	9	118.4826	2.226	46	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])2(H)	C[5](C[5]C[5]CC)(N[5]C[5]Fe)(CC[5]H)	H(CC[5]2)	C(C[5]C[5]N[5])2(H)	C[5](C[5]C[5]CC)(N[5]C[5]Fe)(CC[5]H){1|N<2>,2|C<4>}	H(CC[5]2)	117.3150	0.000	1	117.3150	0.000	1	118.4826	2.226	46	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])2(H)	C[5](C[5]C[5]CC)(N[5]C[5]Ni)(CC[5]H)	H(CC[5]2)	C(C[5]C[5]N[5])2(H)	C[5](C[5]C[5]CC)(N[5]C[5]Ni)(CC[5]H){1|N<2>,2|C<4>}	H(CC[5]2)	117.4067	0.036	3	117.4067	0.001	3	118.4826	2.226	46	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])2(H)	C[5](C[5]C[5]CH)(N[5]C[5]Co)(CC[5]H)	H(CC[5]2)	C(C[5]C[5]N[5])2(H)	C[5](C[5]C[5]CH)(N[5]C[5]Co)(CC[5]H){1|C<3>,2|C<4>}	H(CC[5]2)	117.3807	0.202	6	117.3807	0.041	6	118.4826	2.226	46	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])2(H)	C[5](C[5]C[5]HH)(N[5]C[5]Cu)(CC[5]H)	H(CC[5]2)	C(C[5]C[5]N[5])2(H)	C[5](C[5]C[5]HH)(N[5]C[5]Cu)(CC[5]H){4|H<1>}	H(CC[5]2)	117.8237	0.073	4	117.8237	0.005	4	118.4826	2.226	46	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[6]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(C[6]C[6]2)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]H)	H(CC[5]C[6])	C(C[5]C[5]2)(C[6]C[6]2)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]H){1|C<4>,1|O<2>}	H(CC[5]C[6])	117.7670	0.000	1	117.7670	0.000	1	117.7670	0.000	1	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[4,5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[4,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[4,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H)(CC[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(CC[6a]C[5])	114.2250	0.000	1	114.2250	0.000	1	114.2250	0.000	1	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(CC[6a]C[5])	114.6820	0.000	1	114.6820	0.000	1	115.2280	2.071	6	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(CC[6a]C[5])	117.2630	0.000	1	117.2630	0.000	1	115.2280	2.071	6	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(CC[6a]H){1|N<2>,4|C<3>}	H(CC[6a]C[5])	115.0970	1.676	2	115.0970	2.808	2	115.2280	2.071	6	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5]3)(C[5]C[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5]3)(C[5]C[5]O)(CC[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	H(CC[6a]C[5])	115.6910	0.000	1	114.6145	2.318	2	115.2280	2.071	6	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5]3)(C[5]C[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5]3)(C[5]C[5]O)(CC[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CC[6a]C[5])	113.5380	0.000	1	114.6145	2.318	2	115.2280	2.071	6	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CC[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(CC[6a]C[5])	115.1240	0.000	1	115.1240	0.000	1	115.1240	0.000	1	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]H){1|C<3>,1|O<2>,4|H<1>}	H(CC[6a]C[5])	115.1170	0.000	1	114.8035	0.197	2	114.9523	0.165	3	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]H){1|O<2>,2|C<3>,3|H<1>}	H(CC[6a]C[5])	114.4900	0.000	1	114.8035	0.197	2	114.9523	0.165	3	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]H){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	H(CC[6a]C[5])	115.2500	0.000	1	115.2500	0.000	1	114.9523	0.165	3	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5,6]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	H(CC[6a]C[5])	117.3210	0.000	1	117.2300	0.017	2	116.7760	0.627	3	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5,6]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CC[6a]H){1|O<1>,2|C<4>,6|H<1>}	H(CC[6a]C[5])	117.1390	0.000	1	117.2300	0.017	2	116.7760	0.627	3	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5,6]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[6]2N[5])(N[5]C[6a]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6]N[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[6]2N[5])(N[5]C[6a]C[5])(CC[6a]H){1|S<1>,2|C<3>,3|C<4>,4|H<1>}	H(CC[6a]C[5])	115.8680	0.000	1	115.8680	0.000	1	116.7760	0.627	3	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]S)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]S)(CC[6a]H){4|C<3>}	H(CC[6a]C[5])	115.2190	0.000	1	115.2190	0.000	1	115.5780	0.958	8	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CC[6a]H){2|C<3>}	H(CC[6a]C[5])	116.2710	0.000	1	116.2710	0.000	1	115.5780	0.958	8	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(CC[6a]H){4|H<1>}	H(CC[6a]C[5])	115.6000	0.000	1	115.6000	0.000	1	115.5780	0.958	8	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]CC)(N[5]N[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]CC)(N[5]N[5]C)(CC[6a]H){1|O<2>}	H(CC[6a]C[5])	115.3080	0.000	1	115.3080	0.000	1	115.5780	0.958	8	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CC[6a]H){2|C<3>,2|H<1>}	H(CC[6a]C[5])	114.6030	0.000	1	114.6030	0.000	1	115.5780	0.958	8	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]H){1|O<1>,2|H<1>}	H(CC[6a]C[5])	115.1240	0.000	1	115.1240	0.000	1	115.5780	0.958	8	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6a]C[5])	117.6580	0.000	1	117.6580	0.000	1	115.5780	0.958	8	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]H){1|O<1>}	H(CC[6a]C[5])	114.8410	0.000	1	114.8410	0.000	1	115.5780	0.958	8	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NCC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]Pt)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NCC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]Pt)(CHN){1|C<3>,2|H<1>}	H(CC[5]N)	114.5575	0.879	2	114.5575	0.773	2	116.4246	6.911	9	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NCC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]Pd)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NCC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]Pd)(CHN){1|C<4>,2|H<1>}	H(CC[5]N)	114.3320	0.000	1	114.3320	0.000	1	116.4246	6.911	9	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NCH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CHN){4|H<1>}	H(CC[5]N)	117.1010	0.000	1	117.1010	0.000	1	116.4246	6.911	9	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NCS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NCS)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHN){1|C<4>,1|O<1>}	H(CC[5]N)	122.1940	0.000	1	122.1940	0.000	1	116.4246	6.911	9	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NC[6a]C)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NC[6a]C)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CHN){1|H<1>,3|C<4>}	H(CC[5]N)	114.0920	0.000	1	114.0920	0.000	1	116.4246	6.911	9	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NNiC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]P)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NNiC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]P)(CHN){4|H<1>}	H(CC[5]N)	118.3790	0.000	1	118.3790	0.000	1	116.4246	6.911	9	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:N-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(NPdC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]P)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NPdC)(H)	C[5](C[5]C[5]HH)(C[5]C[5]P)(CHN){4|H<1>}	H(CC[5]N)	116.3040	0.365	2	116.3040	0.133	2	116.4246	6.911	9	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5]-3:N-3:H-1:	P[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]P[5])(NPdN)(H)	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]C)(CHN)	H(CC[5]N)	C(C[5]C[5]P[5])(NPdN)(H)	C[5](P[5]C[6a]C[5]Pd)(C[5]C[5]C)(CHN){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]N)	122.6360	0.000	1	122.6360	0.000	1	122.6360	0.000	1	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H){2|C<3>}	H(CC[5a]C[5])	114.9570	0.000	1	114.9570	0.000	1	116.5343	1.335	12	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5a]C[5a,6a]N[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a,6a]N[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H){2|C<3>}	H(CC[5a]C[5])	115.8310	0.000	1	115.8310	0.000	1	116.5343	1.335	12	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H){2|C<3>}	H(CC[5a]C[5])	116.7470	0.192	2	116.7470	0.037	2	116.5343	1.335	12	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5]CuO)(C[5]C[5]C)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5]CuO)(C[5]C[5]C)(CC[5a]H){2|C<3>}	H(CC[5a]C[5])	116.0515	0.282	2	116.0515	0.080	2	116.5343	1.335	12	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5]NiC)(C[5]C[5]C)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5]NiC)(C[5]C[5]C)(CC[5a]H){2|C<3>}	H(CC[5a]C[5])	118.7245	0.054	2	118.7245	0.003	2	116.5343	1.335	12	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]H){2|C<3>}	H(CC[5a]C[5])	116.9060	0.000	1	116.9060	0.000	1	116.5343	1.335	12	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[5a]H){1|C<3>,2|H<1>}	H(CC[5a]C[5])	115.8295	0.165	2	115.8295	0.027	2	116.5343	1.335	12	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(H)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(H)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CC[5a]H){2|C<3>}	H(CC[5a]C[5])	116.0120	0.000	1	116.0120	0.000	1	116.5343	1.335	12	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5a]H){1|C<3>,2|H<1>}	H(CC[5a]C[5])	117.7150	0.000	1	117.7150	0.000	1	117.1488	2.524	13	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]CC)(N[5]C[5]Cu)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]CC)(N[5]C[5]Cu)(CC[5a]H){1|C<3>,2|H<1>}	H(CC[5a]C[5])	121.9350	0.000	1	121.9350	0.000	1	117.1488	2.524	13	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]CC)(N[5]C[5]Fe)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]CC)(N[5]C[5]Fe)(CC[5a]H){1|C<3>,1|O<1>}	H(CC[5a]C[5])	116.9540	0.516	2	116.9540	0.266	2	117.1488	2.524	13	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]CC)(N[5]C[5]Zn)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]CC)(N[5]C[5]Zn)(CC[5a]H){1|C<3>,2|H<1>}	H(CC[5a]C[5])	116.1003	0.408	3	116.1003	0.166	3	117.1488	2.524	13	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]HH)(N[5]C[5]Co)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]HH)(N[5]C[5]Co)(CC[5a]H){1|C<3>,2|C<4>}	H(CC[5a]C[5])	117.6700	0.000	1	117.6700	0.000	1	117.1488	2.524	13	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]HH)(N[5]C[5]Cu)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]HH)(N[5]C[5]Cu)(CC[5a]H){1|C<3>,2|C<4>}	H(CC[5a]C[5])	115.9130	0.000	1	115.9130	0.000	1	117.1488	2.524	13	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]HH)(N[5]C[5]Pd)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]HH)(N[5]C[5]Pd)(CC[5a]H){3|C<4>}	H(CC[5a]C[5])	117.6700	0.000	1	117.6700	0.000	1	117.1488	2.524	13	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]HH)(N[5]C[5]Zn)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(H)	C[5](C[5]C[5]HH)(N[5]C[5]Zn)(CC[5a]H){1|C<3>,2|C<4>}	H(CC[5a]C[5])	116.6077	0.258	3	116.6077	0.066	3	117.1488	2.524	13	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[5a,6a]C[6a,6a])(C[5]C[5]2)(H)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]S)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[5a,6a]C[6a,6a])(C[5]C[5]2)(H)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]S)(CC[6a]H){1|S<2>,5|C<3>}	H(CC[6a]C[5])	116.6850	0.000	1	116.6850	0.000	1	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a,6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	H(CC[6a]C[5])	116.8150	0.502	5	116.8150	0.252	5	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]O)(CC[6a]H){2|C<4>,2|H<1>}	H(CC[6a]C[5])	113.8780	0.000	1	113.8780	0.000	1	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5]O)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5])	113.1470	0.000	1	113.1470	0.000	1	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]C[5])	114.5770	0.000	1	114.7290	0.046	2	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CC[6a]H){1|C<4>,1|N<3>,2|H<1>}	H(CC[6a]C[5])	114.8810	0.000	1	114.7290	0.046	2	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CC[6a]H){2|C<3>,2|H<1>}	H(CC[6a]C[5])	115.7520	0.023	2	115.7520	0.001	2	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5])	111.9990	0.000	1	113.5070	2.844	3	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]H){1|C<4>,2|C<3>}	H(CC[6a]C[5])	113.1940	0.000	1	113.5070	2.844	3	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]H){1|H<1>,2|C<4>}	H(CC[6a]C[5])	115.3280	0.000	1	113.5070	2.844	3	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(CC[6a]H){1|H<1>,2|C<4>}	H(CC[6a]C[5])	114.5410	0.752	3	114.5410	0.566	3	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]C[6a]O)(C[5]C[6a]C[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]C[6a]O)(C[5]C[6a]C[5])(CC[6a]H){1|H<1>,2|S<2>,4|C<3>}	H(CC[6a]C[5])	113.2450	0.000	1	113.2450	0.000	1	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6a]C[5])	115.3050	0.000	1	114.9533	0.190	7	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]H){1|H<1>,3|C<4>}	H(CC[6a]C[5])	114.8947	0.446	6	114.9533	0.190	7	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CC[6a]H){1|H<1>,2|C<4>}	H(CC[6a]C[5])	112.4010	0.000	1	112.4010	0.000	1	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	H(CC[6a]C[5])	114.2250	0.253	3	114.2250	0.064	3	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]H){4|C<3>}	H(CC[6a]C[5])	114.5623	1.037	6	114.5623	1.076	6	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	H(CC[6a]C[5])	114.7323	0.944	20	114.7323	0.892	20	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]2H)(C[5]C[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]2H)(C[5]C[5]O)(CC[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(CC[6a]C[5])	115.7020	0.000	1	115.7020	0.000	1	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CC)(C[5]N[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CC)(C[5]N[5]O)(CC[6a]H){1|C<4>,2|H<1>}	H(CC[6a]C[5])	111.7810	0.000	1	111.7810	0.000	1	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]H){2|H<1>}	H(CC[6a]C[5])	113.4440	0.000	1	113.4440	0.000	1	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	114.4040	0.000	1	114.4040	0.000	1	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H){1|C<3>,1|O<1>}	H(CC[6a]C[5])	114.7200	0.546	3	114.7295	0.199	4	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	114.7580	0.000	1	114.7295	0.199	4	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H){1|C<4>,1|H<1>}	H(CC[6a]C[5])	115.4650	1.194	5	116.1294	3.928	9	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H){1|H<1>,1|O<2>}	H(CC[6a]C[5])	119.2250	0.074	2	116.1294	3.928	9	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H){1|O<1>}	H(CC[6a]C[5])	114.6950	0.477	2	116.1294	3.928	9	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H){1|C<3>,1|O<1>}	H(CC[6a]C[5])	115.1770	0.000	1	115.9498	2.002	5	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>}	H(CC[6a]C[5])	118.1790	0.000	1	115.9498	2.002	5	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H){2|C<3>,2|H<1>}	H(CC[6a]C[5])	115.4643	0.931	3	115.9498	2.002	5	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6a]C[5])	114.5490	0.000	1	114.3687	0.859	18	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	114.5189	0.566	14	114.3687	0.859	18	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){1|C<4>,1|H<1>}	H(CC[6a]C[5])	113.1290	0.000	1	114.3687	0.859	18	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){1|C<4>,3|H<1>}	H(CC[6a]C[5])	111.8450	0.000	1	114.3687	0.859	18	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){2|H<1>}	H(CC[6a]C[5])	115.8490	0.000	1	114.3687	0.859	18	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(CC[6a]H){3|H<1>}	H(CC[6a]C[5])	114.8100	0.157	2	114.8100	0.025	2	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H){1|C<4>,1|O<1>}	H(CC[6a]C[5])	115.1433	0.196	3	115.0107	0.212	7	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H){1|C<4>,2|C<3>}	H(CC[6a]C[5])	114.1500	0.000	1	115.0107	0.212	7	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H){1|C<4>,2|H<1>}	H(CC[6a]C[5])	115.3895	0.168	2	115.0107	0.212	7	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H){1|H<1>,1|O<1>}	H(CC[6a]C[5])	114.7160	0.000	1	115.0107	0.212	7	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]H){1|C<3>,1|H<1>}	H(CC[6a]C[5])	114.8290	0.000	1	114.8205	0.011	4	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]H){2|H<1>}	H(CC[6a]C[5])	114.8177	0.128	3	114.8205	0.011	4	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]H){1|C<3>,1|O<1>}	H(CC[6a]C[5])	118.5340	0.000	1	118.5340	0.000	1	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HN)(C[5]O[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HN)(C[5]O[5]O)(CC[6a]H){1|H<1>,1|O<2>}	H(CC[6a]C[5])	117.5650	1.789	2	117.5650	3.200	2	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]H){1|C<4>,2|H<1>}	H(CC[6a]C[5])	113.3230	0.000	1	113.3230	0.000	1	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]H){2|C<3>,4|H<1>}	H(CC[6a]C[5])	114.8360	0.000	1	114.8360	0.000	1	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]H){2|C<3>,3|H<1>}	H(CC[6a]C[5])	114.5710	0.000	1	114.5710	0.000	1	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5]N)(C[5]N[5]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5]N)(C[5]N[5]O)(CC[6a]H){1|C<4>,1|O<1>,2|C<3>}	H(CC[6a]C[5])	115.1480	0.000	1	115.1480	0.000	1	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CC[6a]H){1|S<4>,4|C<3>}	H(CC[6a]C[5])	115.7000	0.000	1	115.7000	0.000	1	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CC[6a]H){1|C<4>,1|N<3>}	H(CC[6a]C[5])	114.9750	0.000	1	114.9750	0.000	1	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC[6a]H){1|O<1>}	H(CC[6a]C[5])	115.2200	0.000	1	115.2200	0.000	1	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]O[5]HH)(C[5]N[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]O[5]HH)(C[5]N[5]C)(CC[6a]H)	H(CC[6a]C[5])	115.8660	0.000	1	115.6315	0.110	2	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]O[5]HH)(C[5]N[5]C)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]O[5]HH)(C[5]N[5]C)(CC[6a]H){1|O<1>}	H(CC[6a]C[5])	115.3970	0.000	1	115.6315	0.110	2	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]H){1|H<1>,3|C<4>}	H(CC[6a]C[5])	115.3460	0.704	3	115.3460	0.495	3	114.9550	1.675	124	116.4925	3.583	441	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5,6]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2)(H)	C[5](C[5]O[5]CC)(C[5]O[5]CO)(CC[5,6]H)	H(CC[5,6]C[5])	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2)(H)	C[5](C[5]O[5]CC)(C[5]O[5]CO)(CC[5,6]H)	H(CC[5,6]C[5])	116.4970	0.000	1	116.4970	0.000	1	116.4970	0.000	1	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(COO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5,5]C[5])(COO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(CCH){2|C<4>,2|H<1>,2|O<2>}	H(CC[5]C)	117.1600	0.000	1	117.1600	0.000	1	117.8180	0.866	2	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(COO)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]C[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5,5]C[5])(COO)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]C[5]HH)(CCH){1|N<3>,2|H<1>,5|C<3>}	H(CC[5]C)	118.4760	0.000	1	118.4760	0.000	1	117.8180	0.866	2	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(CCH)(H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]CH)(CCH)	H(CC[5]C)	C(C[5]C[5,6]C[5])(CCH)(H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]CH)(CCH){2|C<4>,2|H<1>,2|N<3>,2|O<1>}	H(CC[5]C)	118.3970	0.000	1	118.3970	0.000	1	116.9107	1.928	7	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(CCH)(H)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HO)(CCH)	H(CC[5]C)	C(C[5]C[5,6]C[5])(CCH)(H)	C[5](C[5,6]C[5]O[6]2)(C[5]C[5]HO)(CCH){2|C<3>,2|H<1>}	H(CC[5]C)	118.4880	0.000	1	118.4880	0.000	1	116.9107	1.928	7	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(CHO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(CCH)	H(CC[5]C)	C(C[5]C[5,6]C[5])(CHO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(CCH){2|C<3>,2|C<4>,3|H<1>}	H(CC[5]C)	116.8240	0.472	2	116.8240	0.223	2	116.9107	1.928	7	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(COO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5,6]C[5])(COO)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH){2|C<4>,5|H<1>}	H(CC[5]C)	117.4540	0.000	1	117.4540	0.000	1	116.9107	1.928	7	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(COO)(H)	C[5](C[5,6]C[5,6]C[6]Os)(C[5]C[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5,6]C[5])(COO)(H)	C[5](C[5,6]C[5,6]C[6]Os)(C[5]C[5]HH)(CCH){1|C<3>,2|C<4>,2|H<1>}	H(CC[5]C)	115.1940	0.668	2	115.1940	0.446	2	116.9107	1.928	7	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C-3:H-1:	C[5,6]-4:Si[5]-4:C-3:	C-3:	C(C[5]C[5,6]Si[5])(CCC)(H)	C[5](C[5,6]C[5]C[6]2)(Si[5]O[5]CC)(CCH)	H(CC[5]C)	C(C[5]C[5,6]Si[5])(CCC)(H)	C[5](C[5,6]C[5]C[6]2)(Si[5]O[5]CC)(CCH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(CC[5]C)	113.8080	0.000	1	113.8080	0.000	1	113.8080	0.000	1	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH){2|C<3>,2|H<1>}	H(CC[5]C)	118.4340	0.000	1	118.4340	0.000	1	116.7764	3.905	5	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH){1|C<4>,1|O<1>}	H(CC[5]C)	118.1910	0.000	1	118.1910	0.000	1	116.7764	3.905	5	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCH){2|H<1>}	H(CC[5]C)	113.5840	0.000	1	113.5840	0.000	1	116.7764	3.905	5	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CCH){1|O<1>,1|S<4>,2|C<3>}	H(CC[5]C)	116.2570	0.000	1	116.2570	0.000	1	116.7764	3.905	5	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CCH){1|O<1>,2|C<3>,2|H<1>}	H(CC[5]C)	117.4160	0.000	1	117.4160	0.000	1	116.7764	3.905	5	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)2(H)	C[5](C[5]C[5]HH)2(CC[5]H)	H(CC[5]2)	C(C[5]C[5]2)2(H)	C[5](C[5]C[5]HH)2(CC[5]H){4|H<1>}	H(CC[5]2)	115.6880	0.000	1	115.6880	0.000	1	115.6880	0.000	1	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[3,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]H){2|C<3>,3|H<1>}	H(CC[6a]C[5])	116.1900	0.000	1	116.1900	0.000	1	116.1900	0.000	1	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5,6]C[5,6a]C[5,6]O[5,6])(C[5]C[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5,6]C[5,6a]C[5,6]O[5,6])(C[5]C[5]HH)(CC[6a]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]C[5])	115.6350	0.000	1	115.6350	0.000	1	115.6350	0.000	1	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CC[6a]H){1|H<1>,1|O<1>,3|C<3>}	H(CC[6a]C[5])	114.3790	0.000	1	114.3790	0.000	1	115.4726	1.081	7	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(CC[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(CC[6a]C[5])	115.9030	0.702	4	115.9030	0.493	4	115.4726	1.081	7	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]CC)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]CC)(CC[6a]H){1|S<4>,2|C<3>,2|H<1>}	H(CC[6a]C[5])	113.9600	0.000	1	113.9600	0.000	1	115.4726	1.081	7	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(CC[6a]C[5])	116.3570	0.000	1	116.3570	0.000	1	115.4726	1.081	7	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(CC[6a]C[5])	115.2010	0.000	1	115.1925	0.439	4	115.4025	0.609	13	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]C[5])	114.2790	0.000	1	115.1925	0.439	4	115.4025	0.609	13	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(CC[6a]C[5])	115.6450	0.269	2	115.1925	0.439	4	115.4025	0.609	13	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	H(CC[6a]C[5])	115.3354	0.898	7	115.3354	0.807	7	115.4025	0.609	13	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]N[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]N[5]HH)(CC[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[6a]C[5])	116.2680	0.000	1	116.2680	0.000	1	115.4025	0.609	13	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CC[6a]H){2|C<4>,6|H<1>}	H(CC[6a]C[5])	115.8460	0.000	1	115.8460	0.000	1	115.4025	0.609	13	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C[6a]-3:H-1:	C[5]-4:P[5]-4:C-3:	C-3:	C(C[5]C[5]P[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5a]C[5]C)(P[5]C[5]CS)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]P[5])(C[6a]C[6a]2)(H)	C[5](C[5]C[5a]C[5]C)(P[5]C[5]CS)(CC[6a]H){1|C<4>,1|N<3>,2|C<3>}	H(CC[6a]C[5])	113.4970	0.000	1	113.4970	0.000	1	113.4970	0.000	1	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C[6a]-3:H-1:	P[5]-4:B[5]-4:C-3:	C-3:	C(C[5]B[5]P[5])(C[6a]C[6a]2)(H)	C[5](P[5]C[6a]2N[5])(B[5]P[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]B[5]P[5])(C[6a]C[6a]2)(H)	C[5](P[5]C[6a]2N[5])(B[5]P[5]HH)(CC[6a]H){2|C<4>,4|C<3>}	H(CC[6a]C[5])	115.3060	0.696	2	115.3060	0.484	2	115.3060	0.484	2	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:C[6a]-3:H-1:	P[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]P[5])(C[6a]C[6a]2)(H)	C[5](P[5]C[6a]O[5]Mo)(C[5]C[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[5]C[5]P[5])(C[6a]C[6a]2)(H)	C[5](P[5]C[6a]O[5]Mo)(C[5]C[5]HH)(CC[6a]H){2|C<3>,2|H<1>}	H(CC[6a]C[5])	114.7570	0.000	1	114.7570	0.000	1	114.7570	0.000	1	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(NCS)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NCS)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHN){1|S<4>,2|H<1>}	H(CC[5]N)	118.4180	0.000	1	118.4180	0.000	1	115.9671	1.466	7	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(NCS)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NCS)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]HH)(CHN){3|C<3>}	H(CC[5]N)	115.9820	0.000	1	115.9820	0.000	1	115.9671	1.466	7	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(NC[6a]S)(H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(CHN)	H(CC[5]N)	C(C[5]C[5]2)(NC[6a]S)(H)	C[5](C[5]N[5,5a]C[6a]H)(C[5]C[5,5a]HH)(CHN){4|C<3>}	H(CC[5]N)	115.4740	0.627	5	115.4740	0.393	5	115.9671	1.466	7	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(N[5]C[5]2)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]HH)(CN[5]H)	H(CC[5]N[5])	C(C[5]C[5]2)(N[5]C[5]2)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]HH)(CN[5]H){1|C<4>,3|C<3>}	H(CC[5]N[5])	117.7930	0.341	2	117.7930	0.116	2	117.7930	0.116	2	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[5a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5,6]C[5])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(CC[5a]H)	H(CC[5a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5,6]C[5])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(CC[5a]H){1|C<4>,2|C<3>,2|H<1>}	H(CC[5a]C[5])	117.7510	0.000	1	117.7510	0.000	1	117.7510	0.000	1	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5,5]C[5])(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]N[6a])(C[5]C[5,5]C[5])(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CC[6a]H){1|H<1>,1|O<1>,3|C<3>}	H(CC[6a]C[5])	116.6790	0.000	1	116.6790	0.000	1	116.6790	0.000	1	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5,6]C[5])(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]N[6a])(C[5]C[5,6]C[5])(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]H){2|C<4>,5|H<1>}	H(CC[6a]C[5])	115.0060	0.000	1	115.0060	0.000	1	115.0060	0.000	1	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(CC[6a]H){1|H<1>,1|O<2>,2|C<4>}	H(CC[6a]C[5])	114.6080	0.000	1	114.6080	0.000	1	114.7013	0.277	28	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(CC[6a]H){1|H<1>,1|O<2>,2|C<4>}	H(CC[6a]C[5])	114.5830	0.000	1	114.5830	0.000	1	114.7013	0.277	28	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(CC[6a]H){1|H<1>,1|N<3>,2|C<4>}	H(CC[6a]C[5])	114.4600	0.000	1	114.4600	0.000	1	114.7013	0.277	28	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]C[5])	114.3420	0.000	1	114.3420	0.000	1	114.7013	0.277	28	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[6a]H){1|H<1>,3|C<4>}	H(CC[6a]C[5])	114.9780	0.000	1	114.9780	0.000	1	114.7013	0.277	28	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]H){1|C<4>,3|H<1>}	H(CC[6a]C[5])	114.7050	0.000	1	114.7050	0.000	1	114.7013	0.277	28	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]H){1|C<4>,1|H<1>,1|S<4>}	H(CC[6a]C[5])	114.8280	0.000	1	114.7838	0.058	6	114.7013	0.277	28	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]H){1|S<4>,2|H<1>}	H(CC[6a]C[5])	114.7750	0.268	5	114.7838	0.058	6	114.7013	0.277	28	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]H){1|C<3>,1|H<1>}	H(CC[6a]C[5])	114.1930	0.000	1	114.1930	0.000	1	114.7013	0.277	28	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CH)2(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CH)2(CC[6a]H){1|C<3>,3|H<1>}	H(CC[6a]C[5])	113.9940	0.000	1	113.9940	0.000	1	114.7013	0.277	28	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]H){1|O<1>,2|H<1>}	H(CC[6a]C[5])	114.3080	0.000	1	114.3080	0.000	1	114.7013	0.277	28	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CO)(C[5]O[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]CO)(C[5]O[5]HH)(CC[6a]H){2|H<1>}	H(CC[6a]C[5])	115.3870	0.000	1	115.3870	0.000	1	114.7013	0.277	28	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]H){4|H<1>}	H(CC[6a]C[5])	114.6780	0.000	1	114.6780	0.000	1	114.7013	0.277	28	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]H){1|C<3>,2|H<1>}	H(CC[6a]C[5])	115.2083	0.523	3	115.0452	0.289	4	114.7013	0.277	28	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]H){4|H<1>}	H(CC[6a]C[5])	114.5560	0.000	1	115.0452	0.289	4	114.7013	0.277	28	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]H){1|H<1>,1|O<2>}	H(CC[6a]C[5])	114.7967	1.063	3	114.7967	1.130	3	114.7013	0.277	28	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)2(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)2(CC[6a]H){1|C<3>,3|H<1>}	H(CC[6a]C[5])	113.7590	0.000	1	113.7590	0.000	1	114.7013	0.277	28	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(CC[6a]H){2|C<3>,2|H<1>}	H(CC[6a]C[5])	114.1690	0.000	1	114.1690	0.000	1	114.7013	0.277	28	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]H){2|H<1>,3|C<3>}	H(CC[6a]C[5])	114.6680	0.000	1	114.6680	0.000	1	114.7013	0.277	28	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[6a]H){1|H<1>,3|C<4>}	H(CC[6a]C[5])	115.5300	0.000	1	115.5300	0.000	1	114.7013	0.277	28	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:3:1:	4:4:3:	3:	C[6a]-3:C[5]-3:H-1:	S[5]-4:S[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]S[5]2)(H)	C[5](S[5]C[5,6a]OO)2(CC[6a]H)	H(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]S[5]2)(H)	C[5](S[5]C[5,6a]OO)2(CC[6a]H){2|C<3>}	H(CC[6a]C[5])	113.8105	0.585	2	113.8105	0.342	2	113.8105	0.342	2	115.5196	1.706	85	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	2:2:3:	3:	C[5]-3:C-4:H-1:	S[5]-2:S[5]-2:C-3:	C-3:	C(C[5]S[5]2)(CFeCO)(H)	C[5](S[5]C[5])2(CCH)	H(CC[5]C)	C(C[5]S[5]2)(CFeCO)(H)	C[5](S[5]C[5])2(CCH){4|H<1>}	H(CC[5]C)	117.7650	0.000	1	117.7650	0.000	1	117.7650	0.000	1	117.3153	1.973	3	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	2:2:3:	3:	C[5]-3:P-4:H-1:	S[5]-2:S[5]-2:C-3:	C-3:	C(C[5]S[5]2)(PC[6a]2W)(H)	C[5](S[5]C[5])2(CHP)	H(CC[5]P)	C(C[5]S[5]2)(PC[6a]2W)(H)	C[5](S[5]C[5])2(CHP){2|C<4>}	H(CC[5]P)	117.0905	1.908	2	117.0905	3.642	2	117.0905	3.642	2	117.3153	1.973	3	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:2:3:	3:	C[5]-3:C-4:H-1:	C[5,6]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5,6]O[5])(CCHH)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5,6]O[5])(CCHH)(H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CCH){1|O<1>,2|C<4>,2|H<1>}	H(CC[5]C)	117.6570	0.000	1	117.6570	0.000	1	117.3135	0.236	2	117.1094	45.142	33	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:2:3:	3:	C[5]-3:C-4:H-1:	C[5,6]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5,6]O[5])(CHHN)(H)	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5,6]O[5])(CHHN)(H)	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(CCH){1|C<4>,1|O<1>,1|O<2>}	H(CC[5]C)	116.9700	0.000	1	116.9700	0.000	1	117.3135	0.236	2	117.1094	45.142	33	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:2:3:	3:	C[5]-3:C-4:H-1:	C[5,6a]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5,6a]O[5])(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5,6a]O[5])(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]C)	117.2510	0.000	1	117.2510	0.000	1	117.2510	0.000	1	117.1094	45.142	33	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:2:3:	3:	C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(CCCH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(CCCH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCH){1|C<4>,1|O<1>}	H(CC[5]C)	117.3655	0.295	2	117.3655	0.087	2	115.4835	64.882	19	117.1094	45.142	33	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:2:3:	3:	C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(CCCH)(H)	C[5](C[5]C[6a]C[5])(O[5]P[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(CCCH)(H)	C[5](C[5]C[6a]C[5])(O[5]P[5])(CCH){1|C<4>,5|C<3>}	H(CC[5]C)	117.5970	0.000	1	117.5970	0.000	1	115.4835	64.882	19	117.1094	45.142	33	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:2:3:	3:	C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(CCHH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(CCHH)(H)	C[5](C[5]C[5]O)(O[5]C[5])(CCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]C)	115.6800	0.000	1	115.6800	0.000	1	115.4835	64.882	19	117.1094	45.142	33	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:2:3:	3:	C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(CCHO)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(CCHO)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCH){1|H<1>,1|O<1>}	H(CC[5]C)	117.7180	0.225	2	117.7180	0.051	2	115.4835	64.882	19	117.1094	45.142	33	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:2:3:	3:	C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(CC[3]CH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(CC[3]CH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCH){1|C<4>,1|O<1>}	H(CC[5]C)	116.5660	1.276	2	116.5660	1.627	2	115.4835	64.882	19	117.1094	45.142	33	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:2:3:	3:	C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(CC[5,5]CH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(CC[5,5]CH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCH){1|C<4>,1|O<1>}	H(CC[5]C)	117.8295	0.299	6	117.8295	0.090	6	115.4835	64.882	19	117.1094	45.142	33	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:2:3:	3:	C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(CC[5]CH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(CC[5]CH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCH){1|C<4>,1|H<1>,1|O<1>}	H(CC[5]C)	82.3403	0.000	1	82.3403	0.000	1	115.4835	64.882	19	117.1094	45.142	33	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:2:3:	3:	C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(CC[5a]CH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(CC[5a]CH)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCH){2|O<1>}	H(CC[5]C)	117.0040	0.000	1	117.0040	0.000	1	115.4835	64.882	19	117.1094	45.142	33	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:2:3:	3:	C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(CH3)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(CH3)(H)	C[5](C[5]C[5]C)(O[5]C[5])(CCH){1|C<3>,1|O<1>}	H(CC[5]C)	117.1455	0.334	2	117.1455	0.112	2	115.4835	64.882	19	117.1094	45.142	33	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:2:3:	3:	C[5]-3:C-4:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(CH3)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(CH3)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCH){1|N<3>,1|O<1>}	H(CC[5]C)	116.9990	0.000	1	116.9990	0.000	1	115.4835	64.882	19	117.1094	45.142	33	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:2:3:	3:	C[5]-3:C-4:H-1:	C[5]-3:Se[5]-2:C-3:	C-3:	C(C[5]Se[5]C[5])(CC[6a]HH)(H)	C[5](C[5]C[5]C)(Se[5]C[5])(CCH)	H(CC[5]C)	C(C[5]Se[5]C[5])(CC[6a]HH)(H)	C[5](C[5]C[5]C)(Se[5]C[5])(CCH){2|N<2>}	H(CC[5]C)	117.1680	0.000	1	117.1680	0.000	1	117.1680	0.000	1	117.1094	45.142	33	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:2:3:	3:	C[5]-3:C[5]-4:H-1:	C[5]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(C[5]C[5]2Fe)(H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[5]H)	H(CC[5]2)	C(C[5]C[5]O[5])(C[5]C[5]2Fe)(H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[5]H){2|C<3>}	H(CC[5]2)	116.0840	0.000	2	116.0840	0.000	2	116.0840	0.000	2	117.1094	45.142	33	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:2:3:	3:	C[5]-3:P-4:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])(PC[6a]2Pd)(H)	C[5](N[5]C[5]Pd)(O[5]C[5])(CHP)	H(CC[5]P)	C(C[5]N[5]O[5])(PC[6a]2Pd)(H)	C[5](N[5]C[5]Pd)(O[5]C[5])(CHP){4|H<1>}	H(CC[5]P)	123.9205	0.107	2	123.9205	0.011	2	122.0012	11.285	5	117.1094	45.142	33	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:2:3:	3:	C[5]-3:P-4:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])(PC[6a]2Pt)(H)	C[5](N[5]C[5]P)(O[5]C[5])(CHP)	H(CC[5]P)	C(C[5]N[5]O[5])(PC[6a]2Pt)(H)	C[5](N[5]C[5]P)(O[5]C[5])(CHP){4|H<1>}	H(CC[5]P)	117.1070	0.000	1	117.1070	0.000	1	122.0012	11.285	5	117.1094	45.142	33	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:2:3:	3:	C[5]-3:P-4:H-1:	N[5]-3:O[5]-2:C-3:	C-3:	C(C[5]N[5]O[5])(PC[6a]2Ru)(H)	C[5](N[5]C[5]Ru)(O[5]C[5])(CHP)	H(CC[5]P)	C(C[5]N[5]O[5])(PC[6a]2Ru)(H)	C[5](N[5]C[5]Ru)(O[5]C[5])(CHP){2|C<4>,2|H<1>}	H(CC[5]P)	122.5290	3.640	2	122.5290	13.251	2	122.0012	11.285	5	117.1094	45.142	33	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:2:3:	3:	C[5]-3:P-4:H-1:	N[5]-3:S[5]-2:C-3:	C-3:	C(C[5]N[5]S[5])(PC[6a]2Pd)(H)	C[5](N[5]C[5]Pd)(S[5]C[5])(CHP)	H(CC[5]P)	C(C[5]N[5]S[5])(PC[6a]2Pd)(H)	C[5](N[5]C[5]Pd)(S[5]C[5])(CHP){4|H<1>}	H(CC[5]P)	123.4340	0.000	1	123.4340	0.000	1	123.4340	0.000	1	117.1094	45.142	33	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:2:3:	3:	C[5]-3:P-4:H-1:	S[5]-3:S[5]-2:C-3:	C-3:	C(C[5]S[5]2)(PC[6a]2W)(H)	C[5](S[5]C[5]W)(S[5]C[5])(CHP)	H(CC[5]P)	C(C[5]S[5]2)(PC[6a]2W)(H)	C[5](S[5]C[5]W)(S[5]C[5])(CHP){2|C<4>}	H(CC[5]P)	120.8850	0.000	1	120.8850	0.000	1	120.8850	0.000	1	117.1094	45.142	33	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:2:3:	3:	C[5]-3:Si-4:H-1:	C[5,6a]-3:O[5]-2:C-3:	C-3:	C(C[5]C[5,6a]O[5])(SiC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSiH)	H(CC[5]Si)	C(C[5]C[5,6a]O[5])(SiC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSiH){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]Si)	114.8830	0.000	1	114.8830	0.000	1	114.8830	0.000	1	117.1094	45.142	33	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:C-4:H-1:	C[5,5a]-3:C[5,5a]-3:C-3:	C-3:	C(C[5]C[5,5a]2)(CCHH)(H)	C[5](C[5,5a]C[5,5a]C[5a])2(CCH)	H(CC[5]C)	C(C[5]C[5,5a]2)(CCHH)(H)	C[5](C[5,5a]C[5,5a]C[5a])2(CCH){2|C<3>,2|H<1>,2|S<2>}	H(CC[5]C)	117.6260	0.000	2	117.6260	0.000	2	117.6260	0.000	2	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:C-4:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:	C(C[5]C[5,6a]2)(CCHH)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCH)	H(CC[5]C)	C(C[5]C[5,6a]2)(CCHH)(H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCH){1|H<1>,5|C<3>}	H(CC[5]C)	116.3290	0.000	1	116.3290	0.000	1	116.3290	0.000	1	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(CC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCH){1|H<1>,3|C<3>}	H(CC[5]C)	113.9950	0.000	1	113.9950	0.000	1	113.9950	0.000	1	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:C-4:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(CCCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]N[5])(CCCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]C)	116.3870	0.000	1	116.3870	0.000	1	116.2926	0.318	5	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:C-4:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(CCCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]N[5])(CCCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]C)	115.7355	0.156	2	115.7355	0.024	2	116.2926	0.318	5	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:C-4:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]N[5])(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]C)	116.8025	0.316	2	116.8025	0.100	2	116.2926	0.318	5	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC3)(H)	C[5](C[5]C[5]C[6])(C[5]O[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC3)(H)	C[5](C[5]C[5]C[6])(C[5]O[5]O)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[5]C)	113.9950	0.000	1	113.9950	0.000	1	115.6587	1.548	4	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC3)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC3)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCH){1|H<1>,3|C<3>}	H(CC[5]C)	115.4260	0.000	1	115.4260	0.000	1	115.6587	1.548	4	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCCH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCCH)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCH){1|H<1>,3|C<3>}	H(CC[5]C)	116.6070	0.148	2	116.6070	0.022	2	115.6587	1.548	4	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CH3)(H)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CH3)(H)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCH){1|C<3>,1|O<1>}	H(CC[5]C)	117.3435	0.013	2	117.3435	0.000	2	117.3435	0.000	2	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:C-4:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CCHH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCHH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCH){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]C)	117.4720	0.000	1	117.4720	0.000	1	117.4720	0.000	1	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(CCCH)(H)	C[5](N[5]C[6a]C[5])2(CCH)	H(CC[5]C)	C(C[5]N[5]2)(CCCH)(H)	C[5](N[5]C[6a]C[5])2(CCH){2|H<1>,4|C<3>}	H(CC[5]C)	114.9930	0.000	2	114.9930	0.000	2	119.0360	22.217	4	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(CH3)(H)	C[5](N[5]C[5]H)2(CCH)	H(CC[5]C)	C(C[5]N[5]2)(CH3)(H)	C[5](N[5]C[5]H)2(CCH){2|H<1>}	H(CC[5]C)	122.2830	0.000	1	122.2830	0.000	1	119.0360	22.217	4	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(CHHN)(H)	C[5](N[5]C[5]H)2(CCH)	H(CC[5]C)	C(C[5]N[5]2)(CHHN)(H)	C[5](N[5]C[5]H)2(CCH){2|H<1>}	H(CC[5]C)	123.8750	0.000	1	123.8750	0.000	1	119.0360	22.217	4	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:C[3]-4:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(C[3]C[3]2H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[3]H)	H(CC[3]C[5])	C(C[5]C[5,6a]N[5])(C[3]C[3]2H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[3]H){1|H<1>,1|O<1>,2|C<3>}	H(CC[3]C[5])	114.5755	0.493	2	114.5755	0.243	2	114.5755	0.243	2	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:	C(C[5]C[5,6a]2)(C[5]C[5]2Fe)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]H)	H(CC[5]2)	C(C[5]C[5,6a]2)(C[5]C[5]2Fe)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]H){2|H<1>,4|C<3>}	H(CC[5]2)	115.2340	0.000	1	115.2340	0.000	1	115.2340	0.000	1	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[5]C[5]2Co)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)	H(CC[5]2)	C(C[5]C[5,6a]C[5])(C[5]C[5]2Co)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){2|C<3>,2|H<1>}	H(CC[5]2)	114.0583	0.627	3	114.0583	0.393	3	114.5300	0.580	18	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)	H(CC[5]2)	C(C[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){1|C<4>,1|H<1>,2|C<3>}	H(CC[5]2)	115.5530	0.000	2	114.6926	0.409	11	114.5300	0.580	18	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)	H(CC[5]2)	C(C[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){2|C<3>,2|H<1>}	H(CC[5]2)	114.5014	0.533	9	114.6926	0.409	11	114.5300	0.580	18	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[5]H)	H(CC[5]2)	C(C[5]C[5,6a]C[5])(C[5]C[5]2Fe)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[5]H){1|H<1>,2|C<3>}	H(CC[5]2)	115.2900	0.990	2	115.2900	0.980	2	114.5300	0.580	18	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[5]C[5]2Ru)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)	H(CC[5]2)	C(C[5]C[5,6a]C[5])(C[5]C[5]2Ru)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H){2|C<3>,2|H<1>}	H(CC[5]2)	113.5830	0.308	2	113.5830	0.095	2	114.5300	0.580	18	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:C[5]-4:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[5]C[5]2Fe)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]O)(CC[5]H)	H(CC[5]2)	C(C[5]C[5]N[5])(C[5]C[5]2Fe)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]O)(CC[5]H){1|H<1>,1|O<1>,3|C<4>}	H(CC[5]2)	112.7455	0.295	2	112.7455	0.087	2	113.2983	0.960	3	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:C[5]-4:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[5]C[5]2Fe)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CC[5]H)	H(CC[5]2)	C(C[5]C[5]N[5])(C[5]C[5]2Fe)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CC[5]H){1|O<1>,3|C<3>}	H(CC[5]2)	114.4040	0.000	1	114.4040	0.000	1	113.2983	0.960	3	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:P-4:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(PAuCC)(H)	C[5](N[5]C[6a]C[5])2(CHP)	H(CC[5]P)	C(C[5]N[5]2)(PAuCC)(H)	C[5](N[5]C[6a]C[5])2(CHP){2|H<1>,4|C<3>}	H(CC[5]P)	111.9540	0.000	1	111.9540	0.000	1	111.5787	0.332	3	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:P-4:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(PBCC)(H)	C[5](N[5]C[6a]C[5])2(CHP)	H(CC[5]P)	C(C[5]N[5]2)(PBCC)(H)	C[5](N[5]C[6a]C[5])2(CHP){2|H<1>,4|C<3>}	H(CC[5]P)	110.9150	0.000	1	110.9150	0.000	1	111.5787	0.332	3	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:P-4:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(PPdCC)(H)	C[5](N[5]C[6a]C[5])2(CHP)	H(CC[5]P)	C(C[5]N[5]2)(PPdCC)(H)	C[5](N[5]C[6a]C[5])2(CHP){2|H<1>,4|C<3>}	H(CC[5]P)	111.8670	0.000	1	111.8670	0.000	1	111.5787	0.332	3	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:S-4:H-1:	C[5,5a]-3:C[5,6a]-3:C-3:	C-3:	C(C[5]C[5,5a]C[5,6a])(SCOO)(H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CHS)	H(CC[5]S)	C(C[5]C[5,5a]C[5,6a])(SCOO)(H)	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CHS){1|H<1>,4|C<3>}	H(CC[5]S)	117.2020	0.000	1	117.2020	0.000	1	117.2020	0.000	1	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:S-4:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:	C(C[5]C[5,6a]2)(SCOO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHS)	H(CC[5]S)	C(C[5]C[5,6a]2)(SCOO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHS){1|H<1>,1|O<2>,4|C<3>}	H(CC[5]S)	116.6225	0.235	2	116.3683	0.222	3	115.9665	0.755	10	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:S-4:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:	C(C[5]C[5,6a]2)(SCOO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHS)	H(CC[5]S)	C(C[5]C[5,6a]2)(SCOO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHS){2|H<1>,4|C<3>}	H(CC[5]S)	115.8600	0.000	1	116.3683	0.222	3	115.9665	0.755	10	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:S-4:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:	C(C[5]C[5,6a]2)(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHS)	H(CC[5]S)	C(C[5]C[5,6a]2)(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHS){1|H<1>,1|O<2>,4|C<3>}	H(CC[5]S)	116.4585	0.434	4	115.7943	0.943	7	115.9665	0.755	10	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:S-4:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:	C(C[5]C[5,6a]2)(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHS)	H(CC[5]S)	C(C[5]C[5,6a]2)(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHS){2|H<1>,4|C<3>}	H(CC[5]S)	114.9087	0.699	3	115.7943	0.943	7	115.9665	0.755	10	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:S-4:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS)	H(CC[5]S)	C(C[5]C[5,6a]N[5])(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]S)	117.7544	0.255	5	117.7544	0.065	5	116.9906	1.828	7	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:S-4:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CHS)	H(CC[5]S)	C(C[5]C[5,6a]N[5])(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CHS){1|H<1>,2|C<3>,2|O<1>}	H(CC[5]S)	115.0810	0.706	2	115.0810	0.498	2	116.9906	1.828	7	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:Si-4:H-1:	C[5,6a]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(SiC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CSiH)	H(CC[5]Si)	C(C[5]C[5,6a]C[5])(SiC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CSiH){2|C<3>,2|H<1>}	H(CC[5]Si)	112.7385	0.200	2	112.7385	0.040	2	112.7385	0.040	2	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:Si-4:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(SiC3)(H)	C[5](C[5]C[5]O)(N[5]C[5]C)(CSiH)	H(CC[5]Si)	C(C[5]C[5]N[5])(SiC3)(H)	C[5](C[5]C[5]O)(N[5]C[5]C)(CSiH){1|C<3>,1|H<1>}	H(CC[5]Si)	116.7060	0.000	1	116.7060	0.000	1	116.7060	0.000	1	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:Si-4:H-1:	N[5]-3:C[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(SiC3)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CSiH)	H(CC[5]Si)	C(C[5]C[5]N[5])(SiC3)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CSiH){1|H<1>,3|C<3>}	H(CC[5]Si)	115.8770	0.000	1	115.8770	0.000	1	115.8770	0.000	1	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:Si-4:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(SiBr3)(H)	C[5](N[5]C[6a]C[5])2(CSiH)	H(CC[5]Si)	C(C[5]N[5]2)(SiBr3)(H)	C[5](N[5]C[6a]C[5])2(CSiH){2|C<4>,4|C<3>}	H(CC[5]Si)	109.2120	0.000	1	109.2120	0.000	1	111.4870	10.351	2	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:3:3:	3:	C[5]-3:Si-4:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]N[5]2)(SiCl2H)(H)	C[5](N[5]C[6a]C[5])2(CSiH)	H(CC[5]Si)	C(C[5]N[5]2)(SiCl2H)(H)	C[5](N[5]C[6a]C[5])2(CSiH){2|H<1>,4|C<3>}	H(CC[5]Si)	113.7620	0.000	1	113.7620	0.000	1	111.4870	10.351	2	115.4277	4.829	71	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:4:3:	3:	C[5]-3:C-4:H-1:	C[5,6a]-3:B[5]-4:C-3:	C-3:	C(C[5]C[5,6a]B[5])(CC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]N[6])(CCH)	H(CC[5]C)	C(C[5]C[5,6a]B[5])(CC3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(B[5]C[6a]C[5]N[6])(CCH){1|H<1>,7|C<3>}	H(CC[5]C)	112.9520	0.000	1	112.9520	0.000	1	112.9520	0.000	1	116.5477	2.157	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:4:3:	3:	C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CCHH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCH){1|H<1>,1|O<1>,2|C<3>}	H(CC[5]C)	117.7920	0.000	1	117.7920	0.000	1	117.4317	0.103	3	116.5477	2.157	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:4:3:	3:	C[5]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5])(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(CCH){1|H<1>,1|N<3>,5|C<3>}	H(CC[5]C)	117.2515	0.107	2	117.2515	0.011	2	117.4317	0.103	3	116.5477	2.157	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:4:3:	3:	C[5]-3:C-4:H-1:	C[5]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CC[5]HH)(H)	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[5]HH)(H)	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCH){1|C<4>,1|O<2>}	H(CC[5]C)	118.6630	0.000	1	118.6630	0.000	1	118.6630	0.000	1	116.5477	2.157	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:4:3:	3:	C[5]-3:C-4:H-1:	N[5]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5]N[5])(CCCH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCCH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)(CCH){1|S<1>,2|C<3>,2|N<3>}	H(CC[5]C)	116.3817	0.537	3	116.3817	0.289	3	116.5375	0.290	4	116.5477	2.157	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:4:3:	3:	C[5]-3:C-4:H-1:	N[5]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5]N[5])(CCHH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CCHH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)(CCH){2|N<3>,3|C<3>}	H(CC[5]C)	117.0050	0.000	1	117.0050	0.000	1	116.5375	0.290	4	116.5477	2.157	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:4:3:	3:	C[5]-3:C[5]-4:H-1:	C[5,5]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(C[5]C[5]2H)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CC[5]H)	H(CC[5]2)	C(C[5]C[5,5]C[5])(C[5]C[5]2H)(H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CC[5]H){1|C<3>,1|C<4>,2|O<1>}	H(CC[5]2)	115.7500	0.000	1	115.7500	0.000	1	115.7500	0.000	1	116.5477	2.157	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	3:4:3:	3:	C[5]-3:P[6]-4:H-1:	C[5,6a]-3:C[5]-4:C-3:	C-3:	C(C[5]C[5,6a]C[5])(P[6]O[6]2O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CP[6]H)	H(CC[5]P[6])	C(C[5]C[5,6a]C[5])(P[6]O[6]2O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CP[6]H){1|H<1>,2|C<3>}	H(CC[5]P[6])	116.2150	0.000	1	116.2150	0.000	1	116.2150	0.000	1	116.5477	2.157	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:2:3:	3:	C[5]-3:B-4:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(BC[6a]3)(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CBH)	H(CC[5]B)	C(C[5]C[5]O[5])(BC[6a]3)(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CBH){1|H<1>,1|N<3>}	H(CC[5]B)	115.2620	0.000	1	115.3080	0.004	2	115.0790	0.156	4	116.7862	3.026	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:2:3:	3:	C[5]-3:B-4:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(BC[6a]3)(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CBH)	H(CC[5]B)	C(C[5]C[5]O[5])(BC[6a]3)(H)	C[5](C[5]N[5]HH)(O[5]C[5])(CBH){2|C<4>}	H(CC[5]B)	115.3540	0.000	1	115.3080	0.004	2	115.0790	0.156	4	116.7862	3.026	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:2:3:	3:	C[5]-3:B-4:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(BC[6a]3)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CBH)	H(CC[5]B)	C(C[5]C[5]O[5])(BC[6a]3)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CBH){1|N<3>}	H(CC[5]B)	114.8500	0.503	2	114.8500	0.253	2	115.0790	0.156	4	116.7862	3.026	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:2:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(CCFF)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(CCFF)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(CCH){1|C<3>}	H(CC[5]C)	117.1820	0.000	1	117.1820	0.000	1	117.4174	0.395	5	116.7862	3.026	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:2:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(CH3)(H)	C[5](C[5]C[5,5]2O)(O[5]C[5,5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(CH3)(H)	C[5](C[5]C[5,5]2O)(O[5]C[5,5])(CCH){2|C<4>,2|H<1>,3|O<2>}	H(CC[5]C)	116.8560	0.000	1	116.8560	0.000	1	117.4174	0.395	5	116.7862	3.026	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:2:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(CH3)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(CH3)(H)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH){1|C<3>,1|H<1>,1|O<1>}	H(CC[5]C)	116.8670	0.000	1	116.8670	0.000	1	117.4174	0.395	5	116.7862	3.026	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:2:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(CHHO)(H)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(CHHO)(H)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCH){2|C<3>}	H(CC[5]C)	118.0690	0.000	1	118.0690	0.000	1	117.4174	0.395	5	116.7862	3.026	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:2:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:O[5]-2:C-3:	C-3:	C(C[5]C[5]O[5])(CHHO)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]O[5])(CHHO)(H)	C[5](C[5]O[5]HH)(O[5]C[5])(CCH){1|O<1>}	H(CC[5]C)	118.1130	0.000	1	118.1130	0.000	1	117.4174	0.395	5	116.7862	3.026	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:2:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:S[5]-2:C-3:	C-3:	C(C[5]C[5]S[5])(CCCH)(H)	C[5](C[5]C[5,5]CH)(S[5]C[5])(CCH)	H(CC[5]C)	C(C[5]C[5]S[5])(CCCH)(H)	C[5](C[5]C[5,5]CH)(S[5]C[5])(CCH){1|N<2>,2|N<3>}	H(CC[5]C)	116.6450	0.000	1	116.6450	0.000	1	116.6450	0.000	1	116.7862	3.026	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:2:3:	3:	C[5]-3:P-4:H-1:	P[5]-4:N[5]-2:C-3:	C-3:	C(C[5]N[5]P[5])(PC[6a]2C[6])(H)	C[5](P[5]C[6a]P[5]W)(N[5]P[5])(CHP)	H(CC[5]P)	C(C[5]N[5]P[5])(PC[6a]2C[6])(H)	C[5](P[5]C[6a]P[5]W)(N[5]P[5])(CHP){1|W<6>,4|C<3>}	H(CC[5]P)	120.6000	0.000	1	120.6000	0.000	1	120.6000	0.000	1	116.7862	3.026	11	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:C-4:H-1:	B[5]-4:S[5]-3:C-3:	C-3:	C(C[5]B[5]S[5])(CC3)(H)	C[5](B[5]C[6a]2C[5])(S[5]C[6a]C[5])(CCH)	H(CC[5]C)	C(C[5]B[5]S[5])(CC3)(H)	C[5](B[5]C[6a]2C[5])(S[5]C[6a]C[5])(CCH){1|H<1>,7|C<3>}	H(CC[5]C)	113.0040	2.148	2	113.0040	4.615	2	113.0040	4.615	2	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:C-4:H-1:	C[5,5,6]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,5,6]C[5])(CH3)(H)	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5,5,6]C[5])(CH3)(H)	C[5](C[5,5,6]C[6,6a]C[5,5]C[5,6])(C[5]N[5]O)(CCH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(CC[5]C)	115.9460	0.000	1	115.9460	0.000	1	115.9460	0.000	1	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,5]C[5])(CH3)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5,5]C[5])(CH3)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(CCH){1|H<1>,2|C<4>}	H(CC[5]C)	117.0567	0.485	4	117.0567	0.235	4	117.0567	0.235	4	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:C-4:H-1:	C[5,6]-4:C[5,6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5,6])(CH3)(H)	C[5](C[5,6]N[5,6]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(CCH)	H(CC[5]C)	C(C[5]C[5,6a]C[5,6])(CH3)(H)	C[5](C[5,6]N[5,6]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(CCH){2|H<1>,6|C<3>}	H(CC[5]C)	116.4240	0.000	1	116.4240	0.000	1	116.4240	0.000	1	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5,6]C[5])(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCH){2|C<4>,5|H<1>}	H(CC[5]C)	115.4380	0.342	2	115.3873	0.066	3	115.3873	0.066	3	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5,6]C[5])(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCH){3|C<4>,4|H<1>}	H(CC[5]C)	115.2860	0.000	1	115.3873	0.066	3	115.3873	0.066	3	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:C-4:H-1:	C[5,6]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5,6]N[5])(CSiCC)(H)	C[5](C[5,6]C[6]2O[5])(N[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5,6]N[5])(CSiCC)(H)	C[5](C[5,6]C[6]2O[5])(N[5]C[5]H)(CCH){1|O<1>,2|C<4>,4|H<1>}	H(CC[5]C)	115.9470	0.000	1	115.9470	0.000	1	115.9470	0.000	1	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCH){1|H<1>,2|C<3>}	H(CC[5]C)	118.0445	0.162	2	118.0445	0.026	2	116.7659	1.749	21	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(CC[5]C)	114.6060	0.000	1	114.6060	0.000	1	116.7659	1.749	21	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CCHH)(H)	C[5](C[5]O[5]HH)(C[5]C[5]S)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCHH)(H)	C[5](C[5]O[5]HH)(C[5]C[5]S)(CCH){1|C<4>}	H(CC[5]C)	119.2910	0.000	1	119.2910	0.000	1	116.7659	1.749	21	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[5]CO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[5]CO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH){1|C<4>,3|H<1>}	H(CC[5]C)	113.6520	0.000	1	113.6520	0.000	1	116.7659	1.749	21	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CC[6]HH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[6]HH)(H)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CCH){2|H<1>}	H(CC[5]C)	116.6778	0.733	4	116.6778	0.537	4	116.7659	1.749	21	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCH){2|C<4>}	H(CC[5]C)	117.0185	0.603	4	117.0185	0.363	4	116.7659	1.749	21	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(CCH){1|C<3>,2|C<4>}	H(CC[5]C)	116.5870	0.000	1	116.5870	0.000	1	116.7659	1.749	21	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH){1|C<3>,2|H<1>}	H(CC[5]C)	115.8480	0.000	1	115.8480	0.000	1	116.7659	1.749	21	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(CC[5]C)	114.5490	0.000	1	114.5490	0.000	1	116.7659	1.749	21	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCH){2|C<3>,2|H<1>}	H(CC[5]C)	117.8800	0.000	1	117.8800	0.000	1	116.7659	1.749	21	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCH){1|C<4>,3|H<1>}	H(CC[5]C)	117.2570	0.269	2	117.2570	0.072	2	116.7659	1.749	21	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCH){1|S<4>,2|H<1>}	H(CC[5]C)	116.9360	0.000	1	116.9360	0.000	1	116.7659	1.749	21	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCH){1|C<4>,2|H<1>}	H(CC[5]C)	117.3470	0.000	1	117.3470	0.000	1	116.7659	1.749	21	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CH3)(H)	C[5](C[5]C[5,6a]HP)(N[5]C[5,6a]C)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CH3)(H)	C[5](C[5]C[5,6a]HP)(N[5]C[5,6a]C)(CCH){2|C<3>}	H(CC[5]C)	116.5680	0.000	1	116.5680	0.000	1	117.7255	2.680	2	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(CHHN)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(CCH)	H(CC[5]C)	C(C[5]C[5]N[5])(CHHN)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(CCH){2|C<4>,2|H<1>}	H(CC[5]C)	118.8830	0.000	1	118.8830	0.000	1	117.7255	2.680	2	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:P-4:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(PC[6a]3)(H)	C[5](C[5]C[5]FF)(C[5]C[5]F)(CHP)	H(CC[5]P)	C(C[5]C[5]2)(PC[6a]3)(H)	C[5](C[5]C[5]FF)(C[5]C[5]F)(CHP){1|C<3>,2|F<1>}	H(CC[5]P)	116.5330	1.599	2	116.5180	1.280	3	116.5180	1.280	3	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:P-4:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(PC[6a]3)(H)	C[5](C[5]C[5]FF)(C[5]C[5]F)(CHP)	H(CC[5]P)	C(C[5]C[5]2)(PC[6a]3)(H)	C[5](C[5]C[5]FF)(C[5]C[5]F)(CHP){1|O<1>,2|F<1>}	H(CC[5]P)	116.4880	0.000	1	116.5180	1.280	3	116.5180	1.280	3	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:S-4:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5])(SC[6a]OO)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(CHS)	H(CC[5]S)	C(C[5]C[5]N[5])(SC[6a]OO)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(CHS){2|C<3>,2|H<1>}	H(CC[5]S)	114.2120	0.000	1	114.2120	0.000	1	114.2120	0.000	1	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:3:3:	3:	C[5]-3:Si-4:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2)(SiC3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CSiH)	H(CC[5]Si)	C(C[5]C[5]2)(SiC3)(H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CSiH){1|C<4>,1|N<3>}	H(CC[5]Si)	113.8040	0.000	1	113.8040	0.000	1	113.8040	0.000	1	116.3455	2.352	40	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:B-4:H-1:	P[5]-4:Si[5]-4:C-3:	C-3:	C(C[5]Si[5]P[5])(BC[6a]3)(H)	C[5](P[5]C[6a]2C[5])(Si[5]O[5]CC)(CBH)	H(CC[5]B)	C(C[5]Si[5]P[5])(BC[6a]3)(H)	C[5](P[5]C[6a]2C[5])(Si[5]O[5]CC)(CBH){1|C<4>,5|C<3>}	H(CC[5]B)	114.4600	0.000	1	114.4600	0.000	1	114.4600	0.000	1	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	B[5]-4:P[5]-4:C-3:	C-3:	C(C[5]B[5]P[5])(CC3)(H)	C[5](B[5]C[6a]2O[5])(P[5]C[6a]C[5]H)(CCH)	H(CC[5]C)	C(C[5]B[5]P[5])(CC3)(H)	C[5](B[5]C[6a]2O[5])(P[5]C[6a]C[5]H)(CCH){1|C<2>,1|C<4>,6|C<3>}	H(CC[5]C)	112.3550	0.352	2	112.3550	0.124	2	114.3867	2.569	6	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	B[5]-4:P[5]-4:C-3:	C-3:	C(C[5]B[5]P[5])(CH3)(H)	C[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(CCH)	H(CC[5]C)	C(C[5]B[5]P[5])(CH3)(H)	C[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(CCH){1|C<4>,1|H<1>,8|C<3>}	H(CC[5]C)	115.3150	0.512	2	115.3150	0.262	2	114.3867	2.569	6	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	B[5]-4:P[5]-4:C-3:	C-3:	C(C[5]B[5]P[5])(CH3)(H)	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCH)	H(CC[5]C)	C(C[5]B[5]P[5])(CH3)(H)	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCH){1|H<1>,9|C<3>}	H(CC[5]C)	115.4900	0.214	2	115.4900	0.046	2	114.3867	2.569	6	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[4,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[4,5]C[5])(CH3)(H)	C[5](C[4,5]C[4,5]2H)(C[5]C[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[4,5]C[5])(CH3)(H)	C[5](C[4,5]C[4,5]2H)(C[5]C[5]HH)(CCH){1|C<3>,2|H<1>,3|C<4>}	H(CC[5]C)	117.1120	0.000	1	117.1120	0.000	1	117.1120	0.000	1	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(CCHH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5,5]C[5])(CCHH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(CCH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(CC[5]C)	116.6850	0.000	1	116.6850	0.000	1	117.2100	0.207	3	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(CHHI)(H)	C[5](C[5,5]C[5]3)(C[5]O[5]CC)(CCH)	H(CC[5]C)	C(C[5]C[5,5]C[5])(CHHI)(H)	C[5](C[5,5]C[5]3)(C[5]O[5]CC)(CCH){1|H<1>,2|C<3>,2|O<1>}	H(CC[5]C)	117.4670	0.000	1	117.4670	0.000	1	117.2100	0.207	3	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(CN[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]C[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5,5]C[5])(CN[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5,5]C[6a])(C[5]C[5]HH)(CCH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(CC[5]C)	117.4780	0.000	1	117.4780	0.000	1	117.2100	0.207	3	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5,6,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6,6]C[5])(CH3)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(CCH)	H(CC[5]C)	C(C[5]C[5,6,6]C[5])(CH3)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(CCH){1|C<4>,2|H<1>,4|C<3>}	H(CC[5]C)	118.3080	0.000	1	118.3080	0.000	1	118.3080	0.000	1	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCH)	H(CC[5]C)	C(C[5]C[5,6]C[5])(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(CC[5]C)	115.6905	0.172	2	115.6905	0.030	2	115.9728	0.483	13	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCH)	H(CC[5]C)	C(C[5]C[5,6]C[5])(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CC[5]C)	116.7630	0.000	1	116.7630	0.000	1	115.9728	0.483	13	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5,6]C[5])(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(CC[5]C)	116.6130	0.000	1	116.6130	0.000	1	115.9728	0.483	13	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(CH3)(H)	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]N[5,5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5,6]C[5])(CH3)(H)	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]N[5,5]HH)(CCH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(CC[5]C)	115.0430	0.000	1	115.0430	0.000	1	115.9728	0.483	13	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(CH3)(H)	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5,6]C[5])(CH3)(H)	C[5](C[5,6]C[5,6]2H)(C[5]N[5]HH)(CCH){1|H<1>,2|C<3>,4|C<4>}	H(CC[5]C)	115.9110	0.000	2	115.9110	0.000	2	115.9728	0.483	13	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5,6]C[5])(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH){1|O<2>,2|C<4>,4|H<1>}	H(CC[5]C)	115.8210	0.730	2	115.6986	0.224	5	115.9728	0.483	13	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5,6]C[5])(CH3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH){2|C<4>,5|H<1>}	H(CC[5]C)	115.6170	0.396	3	115.6986	0.224	5	115.9728	0.483	13	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(CH3)(H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5,6]C[5])(CH3)(H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(CCH){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(CC[5]C)	117.5310	0.000	1	117.5310	0.000	1	115.9728	0.483	13	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(CCH){1|C<4>,3|H<1>}	H(CC[5]C)	116.2715	0.344	2	116.2715	0.119	2	116.6775	3.209	27	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CCHH)(H)	C[5](C[5]C[5]2H)(C[5]N[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCHH)(H)	C[5](C[5]C[5]2H)(C[5]N[5]HH)(CCH){1|S<4>,2|C<4>,3|H<1>}	H(CC[5]C)	115.5094	1.997	5	115.5094	3.986	5	116.6775	3.209	27	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CCHH)(H)	C[5](C[5]C[5]HH)2(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCHH)(H)	C[5](C[5]C[5]HH)2(CCH){4|H<1>}	H(CC[5]C)	116.3150	0.000	1	116.3150	0.000	1	116.6775	3.209	27	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CCHH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCHH)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCH){1|S<4>,2|H<1>}	H(CC[5]C)	117.6850	0.000	1	117.6850	0.000	1	116.6775	3.209	27	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CCHN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CCHN)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH){4|H<1>}	H(CC[5]C)	122.1550	0.000	1	122.1550	0.000	1	116.6775	3.209	27	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CC[6a]CC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[6a]CC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH){1|S<4>,3|H<1>}	H(CC[5]C)	115.7430	0.000	1	115.7430	0.000	1	116.6775	3.209	27	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CC[6a]CC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CC[6a]CC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCH){2|H<1>}	H(CC[5]C)	115.4600	0.444	6	115.4600	0.197	6	116.6775	3.209	27	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(CCH){1|C<3>,2|C<4>}	H(CC[5]C)	116.6400	0.522	2	116.6400	0.272	2	116.6775	3.209	27	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CCH){1|C<4>,2|H<1>,3|C<3>}	H(CC[5]C)	117.1177	0.184	3	117.1177	0.034	3	116.6775	3.209	27	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH){1|C<3>,1|H<1>,1|S<4>}	H(CC[5]C)	117.7840	0.000	1	117.7840	0.000	1	116.6775	3.209	27	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(CCH){1|H<1>,2|C<3>}	H(CC[5]C)	117.5520	0.000	1	117.5520	0.000	1	116.6775	3.209	27	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CCH){1|C<4>,1|H<1>,1|S<4>}	H(CC[5]C)	120.3550	0.000	1	120.3550	0.000	1	116.6775	3.209	27	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CH3)(H)	C[5](C[5]N[5]CH)(C[5]O[5]CH)(CCH){1|C<3>}	H(CC[5]C)	117.3470	0.000	1	117.3470	0.000	1	116.6775	3.209	27	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CCH)	H(CC[5]C)	C(C[5]C[5]2)(CHHN)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CCH){2|C<3>}	H(CC[5]C)	117.8730	0.000	1	117.8730	0.000	1	116.6775	3.209	27	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:C-4:H-1:	C[5]-4:Si[5]-4:C-3:	C-3:	C(C[5]Si[5]C[5])(CSi2H)(H)	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(CCH)	H(CC[5]C)	C(C[5]Si[5]C[5])(CSi2H)(H)	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(CCH){2|Si<4>,2|H<1>}	H(CC[5]C)	114.6990	0.214	2	114.6990	0.046	2	114.6990	0.046	2	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:S-4:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(SC[6a]OO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHS)	H(CC[5]S)	C(C[5]C[5]2)(SC[6a]OO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHS){1|S<4>,2|H<1>}	H(CC[5]S)	118.2280	0.000	1	118.2280	0.000	1	118.2280	0.000	1	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:Si-4:H-1:	C[5,5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(SiC3)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CSiH)	H(CC[5]Si)	C(C[5]C[5,5]C[5])(SiC3)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]HH)(CSiH){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(CC[5]Si)	114.5350	0.000	1	114.5350	0.000	1	114.5350	0.000	1	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:Si-4:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(SiC3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CSiH)	H(CC[5]Si)	C(C[5]C[5,6]C[5])(SiC3)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CSiH){1|O<1>,2|C<4>,3|H<1>}	H(CC[5]Si)	115.5885	0.012	2	115.5885	0.000	2	115.8913	0.275	3	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:Si-4:H-1:	C[5,6]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,6]C[5])(SiC3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CSiH)	H(CC[5]Si)	C(C[5]C[5,6]C[5])(SiC3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CSiH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(CC[5]Si)	116.4970	0.000	1	116.4970	0.000	1	115.8913	0.275	3	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:Si-4:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(SiC3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CSiH)	H(CC[5]Si)	C(C[5]C[5]2)(SiC3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CSiH){1|C<4>,3|H<1>}	H(CC[5]Si)	114.9970	0.000	1	114.9970	0.000	1	113.5477	1.575	3	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	4:4:3:	3:	C[5]-3:Si-4:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2)(SiC3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CSiH)	H(CC[5]Si)	C(C[5]C[5]2)(SiC3)(H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CSiH){1|C<4>,1|H<1>}	H(CC[5]Si)	112.8230	0.000	2	112.8230	0.000	2	113.5477	1.575	3	116.0685	2.883	62	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	5:3:3:	3:	C[5]-3:C-4:H-1:	C[5,5,6]-5:C[5]-3:C-3:	C-3:	C(C[5]C[5,5,6]C[5])(CH3)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6]Ru)(C[5]N[5]O)(CCH)	H(CC[5]C)	C(C[5]C[5,5,6]C[5])(CH3)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6]Ru)(C[5]N[5]O)(CCH){2|H<1>,5|C<4>}	H(CC[5]C)	115.9810	0.000	1	115.9810	0.000	1	115.9810	0.000	1	114.7237	1.574	3	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	3:4:1:	5:3:3:	3:	C[5]-3:C-4:H-1:	P[5]-5:P[5]-3:C-3:	C-3:	C(C[5]P[5]2)(CC3)(H)	C[5](P[5]C[6a]C[5]AlC)(P[5]C[6a]C[5])(CCH)	H(CC[5]C)	C(C[5]P[5]2)(CC3)(H)	C[5](P[5]C[6a]C[5]AlC)(P[5]C[6a]C[5])(CCH){1|C<4>,4|C<3>}	H(CC[5]C)	114.0950	0.881	2	114.0950	0.776	2	114.0950	0.776	2	114.7237	1.574	3	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	4:3:1:	2:2:3:	3:	P-4:C[5]-3:H-1:	S[5]-2:S[5]-2:C-3:	C-3:	C(PC[6a]2Mo)(C[5]S[5]2)(H)	C[5](S[5]C[5])2(CHP)	H(CC[5]P)	C(PC[6a]2Mo)(C[5]S[5]2)(H)	C[5](S[5]C[5])2(CHP){2|C<4>}	H(CC[5]P)	116.5397	1.195	3	116.5397	1.427	3	116.5397	1.427	3	116.5397	1.427	3	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	4:3:1:	3:2:3:	3:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-2:C-3:	C-3:	C(C[5]C[5]O[5]H)(C[5]C[5]N[5])(H)	C[5](C[5]O[5]O)(N[5]C[5])(CC[5]H)	H(CC[5]2)	C(C[5]C[5]O[5]H)(C[5]C[5]N[5])(H)	C[5](C[5]O[5]O)(N[5]C[5])(CC[5]H){1|C<3>}	H(CC[5]2)	120.2780	0.000	1	120.2780	0.000	1	120.2780	0.000	1	120.2780	0.000	1	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	4:3:1:	3:3:3:	3:	B[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:N[5]-3:C-3:	C-3:	C(B[5,5]N[5,5]O[5]2)(C[5]C[5,6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CB[5,5]H)	H(CB[5,5]C[5])	C(B[5,5]N[5,5]O[5]2)(C[5]C[5,6a]N[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CB[5,5]H){1|H<1>,1|O<1>,2|C<3>}	H(CB[5,5]C[5])	116.0620	0.000	1	116.0620	0.000	1	116.0620	0.000	1	114.8189	5.003	12	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	4:3:1:	3:3:3:	3:	C[3]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[3]C[3]2H)(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[3]H)	H(CC[3]C[5])	C(C[3]C[3]2H)(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[3]H){1|H<1>,3|C<3>}	H(CC[3]C[5])	117.6570	0.000	1	117.6570	0.000	1	117.6570	0.000	1	114.8189	5.003	12	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[5]-3:H-1:	C[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5,5]C[5]H)(C[5]C[5]N[5])(H)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5]H)	H(CC[5]2)	C(C[5]C[5,5]C[5]H)(C[5]C[5]N[5])(H)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5]H){1|C<4>,1|O<1>}	H(CC[5]2)	117.3670	0.000	1	117.3670	0.000	1	117.3670	0.000	1	114.8189	5.003	12	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[5]-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]B[5]C[5]H)(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(CC[5]H)	H(CC[5]2)	C(C[5]B[5]C[5]H)(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(CC[5]H){2|H<1>,4|C<3>}	H(CC[5]2)	114.5760	0.000	1	114.5760	0.000	1	114.6410	0.008	2	114.8189	5.003	12	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	4:3:1:	3:3:3:	3:	C[5]-4:C[5]-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(C[5]C[5]N[5]H)(C[5]N[5]2)(H)	C[5](N[5]C[5]C)2(CC[5]H)	H(CC[5]2)	C(C[5]C[5]N[5]H)(C[5]N[5]2)(H)	C[5](N[5]C[5]C)2(CC[5]H){2|C<4>}	H(CC[5]2)	114.7060	0.000	1	114.7060	0.000	1	114.6410	0.008	2	114.8189	5.003	12	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	4:3:1:	3:3:3:	3:	C[6]-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(C[6]C[6]2H)(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6]H)	H(CC[5]C[6])	C(C[6]C[6]2H)(C[5]C[5]2)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6]H){1|H<1>,3|C<3>}	H(CC[5]C[6])	116.8490	0.000	1	116.8490	0.000	1	116.8490	0.000	1	114.8189	5.003	12	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	4:3:1:	3:3:3:	3:	P-4:C[5]-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(PC[6a]2Au)(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(CHP)	H(CC[5]P)	C(PC[6a]2Au)(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(CHP){2|H<1>,4|C<3>}	H(CC[5]P)	111.8915	0.504	2	111.8915	0.254	2	112.5917	1.598	3	114.8189	5.003	12	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	4:3:1:	3:3:3:	3:	P-4:C[5]-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(PC[6a]2Cu)(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(CHP)	H(CC[5]P)	C(PC[6a]2Cu)(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(CHP){2|H<1>,4|C<3>}	H(CC[5]P)	113.9920	0.000	1	113.9920	0.000	1	112.5917	1.598	3	114.8189	5.003	12	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	4:3:1:	3:3:3:	3:	Si-4:C[5]-3:H-1:	C[5]-3:C[5]-3:C-3:	C-3:	C(SiC[6a]2C)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]H)(C[5]N[5,6]O)(CSiH)	H(CC[5]Si)	C(SiC[6a]2C)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]H)(C[5]N[5,6]O)(CSiH){1|C<3>,1|C<4>}	H(CC[5]Si)	115.8970	0.267	2	115.8970	0.071	2	115.8970	0.071	2	114.8189	5.003	12	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	4:3:1:	3:3:3:	3:	Si[3,4,4]-4:C[5]-3:H-1:	N[5]-3:N[5]-3:C-3:	C-3:	C(Si[3,4,4]P[3,3,4]2P[4,4])(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(CSi[3,4,4]H)	H(CSi[3,4,4]C[5])	C(Si[3,4,4]P[3,3,4]2P[4,4])(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(CSi[3,4,4]H){2|C<4>,4|C<3>}	H(CSi[3,4,4]C[5])	111.0410	0.000	1	111.0410	0.000	1	111.0410	0.000	1	114.8189	5.003	12	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	4:3:1:	4:3:3:	3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5]C)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]H)	H(CC[5]2)	C(C[5]C[5,6a]C[5]C)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]H){1|C<3>,1|O<1>}	H(CC[5]2)	116.9580	0.000	1	116.2950	0.879	2	116.0185	0.427	4	115.9675	0.369	6	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	4:3:1:	4:3:3:	3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5]C)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]H)	H(CC[5]2)	C(C[5]C[5,6a]C[5]C)(C[5]C[5]2)(H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]H){1|C<4>,1|O<1>}	H(CC[5]2)	115.6320	0.000	1	116.2950	0.879	2	116.0185	0.427	4	115.9675	0.369	6	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	4:3:1:	4:3:3:	3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C-3:	C-3:	C(C[5]C[5]2Fe)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[5]H)	H(CC[5]2)	C(C[5]C[5]2Fe)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[5]H){1|H<1>,3|C<4>}	H(CC[5]2)	115.7420	0.308	2	115.7420	0.095	2	116.0185	0.427	4	115.9675	0.369	6	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	4:3:1:	4:3:3:	3:	C[6]-4:C[5]-3:H-1:	C[5]-4:N[5]-3:C-3:	C-3:	C(C[6]C[6,6a]C[6]H)(C[5]C[5]N[5])(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[6]H)	H(CC[5]C[6])	C(C[6]C[6,6a]C[6]H)(C[5]C[5]N[5])(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[6]H){2|C<3>}	H(CC[5]C[6])	115.8655	0.729	2	115.8655	0.531	2	115.8655	0.531	2	115.9675	0.369	6	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	4:3:1:	4:4:3:	3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[5]H)	H(CC[5]2)	C(C[5]C[5,5]C[5]H)(C[5]C[5]2)(H)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[5]H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(CC[5]2)	116.2930	0.000	1	116.2930	0.000	1	115.0289	0.983	10	115.0289	0.983	10	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	4:3:1:	4:4:3:	3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2C)(C[5]C[5]2)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]H)	H(CC[5]2)	C(C[5]C[5]2C)(C[5]C[5]2)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]H){4|H<1>}	H(CC[5]2)	114.5509	0.598	7	114.5509	0.357	7	115.0289	0.983	10	115.0289	0.983	10	117.4327	8.381	3594	117.4830	8.422	3698
930	818	951	0:SP2_SP-NON_SP2	C	C[5]	H	4:3:1:	4:4:3:	3:	C[5]-4:C[5]-3:H-1:	C[5]-4:C[5]-4:C-3:	C-3:	C(C[5]C[5]2Fe)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[5]H)	H(CC[5]2)	C(C[5]C[5]2Fe)(C[5]C[5]2)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[5]H){1|H<1>,3|C<4>}	H(CC[5]2)	116.0700	1.157	2	116.0700	1.338	2	115.0289	0.983	10	115.0289	0.983	10	117.4327	8.381	3594	117.4830	8.422	3698