930	643	899	0:SP2_SP-NON_SP2	C	C[6a]	C	3:2:1:	3:3:3:	3:	C[6a]-3:C-2:C-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CN)(C)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)	C(C[6a]C[6a]2)(CN)(C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)	124.9980	0.000	1	124.9980	0.000	1	124.9980	0.000	1	124.9980	0.000	1	108.8704	520.202	2	108.8704	520.202	2
930	643	899	0:SP2_SP-NON_SP2	C	C[6a]	C	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:C-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CH3)(C)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)	92.7427	0.000	1	92.7427	0.000	1	92.7427	0.000	1	92.7427	0.000	1	108.8704	520.202	2	108.8704	520.202	2
930	643	901	0:SP2_SP1_SP2	C	C[6a]	N	3:1:1:	3:3:3:	3:	C[6a]-3:N-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(N)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO)	N(CC[6a]O)	C(C[6a]C[6a]2)(N)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CNO){1|C<3>,2|H<1>}	N(CC[6a]O)	119.0570	0.000	1	119.0570	0.000	1	119.0570	0.000	1	119.0570	0.000	1	119.7690	6.870	5	119.7690	6.870	5
930	643	901	0:SP2_SP1_SP2	C	C[6a]	N	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:N-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NHN)(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN)	N(CC[6a]N)	C(C[6a]C[6a]N[6a])(NHN)(N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)	117.8220	0.000	1	117.8220	0.000	1	117.8220	0.000	1	117.8220	0.000	1	119.7690	6.870	5	119.7690	6.870	5
930	643	901	0:SP2_SP1_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:N-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a]N)(N)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]N)(N)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)	119.7400	0.000	1	119.7400	0.000	1	120.6553	10.413	3	120.6553	10.413	3	119.7690	6.870	5	119.7690	6.870	5
930	643	901	0:SP2_SP1_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:N-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHH)(N)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)	C(C[6a]C[6a]2)(NHH)(N)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)	124.2410	0.000	1	124.2410	0.000	1	120.6553	10.413	3	120.6553	10.413	3	119.7690	6.870	5	119.7690	6.870	5
930	643	901	0:SP2_SP1_SP2	C	C[6a]	N	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:N-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NHS)(N)	C[6a](C[6a]C[6a]H)2(CNN)	N(CC[6a]N)	C(C[6a]C[6a]2)(NHS)(N)	C[6a](C[6a]C[6a]H)2(CNN){1|C<3>,2|H<1>}	N(CC[6a]N)	117.9850	0.000	1	117.9850	0.000	1	120.6553	10.413	3	120.6553	10.413	3	119.7690	6.870	5	119.7690	6.870	5
930	643	902	0:SP2_SP2_SP2	C	C[6a]	C[3]	3:3:1:	3:3:3:	4:4:3:	C[3]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[3,6]-4:C[3,6]-4:C-3:	C(C[3]C[3,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[3]H)	C[3](C[3,6]C[6,6a]C[3,6]H)2(CC[6a]H)	C(C[3]C[3,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[3]H){1|C<3>,2|H<1>}	C[3](C[3,6]C[6,6a]C[3,6]H)2(CC[6a]H){4|C<3>}	126.6930	0.000	1	126.6930	0.000	1	126.6930	0.000	1	125.4233	0.611	6	121.8819	7.189	27	121.8819	7.189	27
930	643	902	0:SP2_SP2_SP2	C	C[6a]	C[3]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[3]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C[3]-4:C-3:	C(C[6a]C[6a]2)(C[3]C[3]2)(H)	C[6a](C[6a]C[6a]H)2(CC[3]H)	C[3](C[3]C[3]CC)(C[3]C[3]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[3]C[3]2)(H)	C[6a](C[6a]C[6a]H)2(CC[3]H){1|C<3>,2|H<1>}	C[3](C[3]C[3]CC)(C[3]C[3]HH)(CC[6a]H)	125.1407	0.607	4	125.1407	0.368	4	125.1694	0.280	5	125.4233	0.611	6	121.8819	7.189	27	121.8819	7.189	27
930	643	902	0:SP2_SP2_SP2	C	C[6a]	C[3]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[3]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C[3]-4:C-3:	C(C[6a]C[6a]2)(C[3]C[3]2)(H)	C[6a](C[6a]C[6a]H)2(CC[3]H)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[3]C[3]2)(H)	C[6a](C[6a]C[6a]H)2(CC[3]H){1|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC[6a]H){2|C<3>}	125.2840	0.000	1	125.2840	0.000	1	125.1694	0.280	5	125.4233	0.611	6	121.8819	7.189	27	121.8819	7.189	27
930	643	902	0:SP2_SP2_SP2	C	C[6a]	C[3]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[3]-3:	C[6a]-3:C[6a]-3:C-3:	C[3]-3:C[3]-3:C-3:	C(C[6a]C[6a]2)2(C[3]C[3]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[3])	C[3](C[3]C[3]C)2(CC[6a]2)	C(C[6a]C[6a]2)2(C[3]C[3]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[3]){1|N<2>,2|H<1>}	C[3](C[3]C[3]C)2(CC[6a]2)	120.5277	1.119	3	120.5277	1.252	3	120.5277	1.252	3	120.5277	1.252	3	121.8819	7.189	27	121.8819	7.189	27
930	643	902	0:SP2_SP2_SP2	C	C[6a]	C[3]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:C[3]-3:	C[6a]-3:C[6a]-3:C-3:	P[3]-3:P[3]-4:C-3:	C(C[6a]C[6a]2)2(C[3]P[3]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[3])	C[3](P[3]C[6a]P[3])(P[3]P[3]CW)(CC[6a]2)	C(C[6a]C[6a]2)2(C[3]P[3]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[3]){1|C<3>,2|H<1>}	C[3](P[3]C[6a]P[3])(P[3]P[3]CW)(CC[6a]2){2|C<3>}	121.6795	1.917	2	121.6795	3.675	2	121.6795	3.675	2	121.6795	3.675	2	121.8819	7.189	27	121.8819	7.189	27
930	643	902	0:SP2_SP2_SP2	C	C[6a]	C[3]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[3]-3:	C[6a]-3:C[6a]-3:C-3:	P[3]-4:P[3]-3:C-3:	C(C[6a]C[6a]2)2(C[3]P[3]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[3])	C[3](P[3]C[6a]P[3]W)(P[3]C[6a]P[3])(CC[6a]2)	C(C[6a]C[6a]2)2(C[3]P[3]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[3]){1|C<3>,2|H<1>}	C[3](P[3]C[6a]P[3]W)(P[3]C[6a]P[3])(CC[6a]2){4|C<3>}	121.5005	0.588	2	121.5005	0.345	2	121.5005	0.345	2	121.5005	0.345	2	121.8819	7.189	27	121.8819	7.189	27
930	643	902	0:SP2_SP2_SP2	C	C[6a]	C[3]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C[6a]-3:C[3]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[3]-4:C[3]-4:C-3:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[3]C[3]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]C[3])	C[3](C[3]C[3]HH)2(CC[6a]2)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[3]C[3]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]C[3]){1|H<1>,2|C<3>,2|C<4>}	C[3](C[3]C[3]HH)2(CC[6a]2)	118.1680	0.103	2	118.1680	0.011	2	118.1680	0.011	2	120.7378	5.992	14	121.8819	7.189	27	121.8819	7.189	27
930	643	902	0:SP2_SP2_SP2	C	C[6a]	C[3]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C[6a]-3:C[3]-3:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C[3]-4:C-3:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[3]C[3]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[3])	C[3](C[3]C[3]HH)2(CC[6a]2)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[3]C[3]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[3]){1|C<3>,2|H<1>}	C[3](C[3]C[3]HH)2(CC[6a]2)	123.1485	0.508	2	123.1485	0.258	2	121.1661	5.680	12	120.7378	5.992	14	121.8819	7.189	27	121.8819	7.189	27
930	643	902	0:SP2_SP2_SP2	C	C[6a]	C[3]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C[6a]-3:C[3]-3:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C[3]-4:C-3:	C(C[6a]C[6a]2)2(C[3]C[3]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[3])	C[3](C[3]C[3]HH)2(CC[6a]2)	C(C[6a]C[6a]2)2(C[3]C[3]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[3]){1|C<3>,2|H<1>}	C[3](C[3]C[3]HH)2(CC[6a]2)	118.0320	0.000	1	118.0320	0.000	1	121.1661	5.680	12	120.7378	5.992	14	121.8819	7.189	27	121.8819	7.189	27
930	643	902	0:SP2_SP2_SP2	C	C[6a]	C[3]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C[6a]-3:C[3]-3:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C[3]-4:C-3:	C(C[6a]C[6a]2)2(C[3]C[3]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]C[3])	C[3](C[3]C[3]HH)2(CC[6a]2)	C(C[6a]C[6a]2)2(C[3]C[3]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]C[3]){1|C<3>,2|H<1>}	C[3](C[3]C[3]HH)2(CC[6a]2)	118.7160	0.000	1	118.7160	0.000	1	121.1661	5.680	12	120.7378	5.992	14	121.8819	7.189	27	121.8819	7.189	27
930	643	902	0:SP2_SP2_SP2	C	C[6a]	C[3]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C[6a]-3:C[3]-3:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C[3]-4:C-3:	C(C[6a]C[6a]2)2(C[3]C[3]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C[3])	C[3](C[3]C[3]HH)2(CC[6a]2)	C(C[6a]C[6a]2)2(C[3]C[3]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C[3]){1|C<3>,2|H<1>}	C[3](C[3]C[3]HH)2(CC[6a]2)	119.3405	0.583	2	119.3405	0.340	2	121.1661	5.680	12	120.7378	5.992	14	121.8819	7.189	27	121.8819	7.189	27
930	643	902	0:SP2_SP2_SP2	C	C[6a]	C[3]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C[6a]-3:C[3]-3:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C[3]-4:C-3:	C(C[6a]C[6a]2)2(C[3]C[3]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[3])	C[3](C[3]C[3]CC)(C[3]C[3]HH)(CC[6a]2)	C(C[6a]C[6a]2)2(C[3]C[3]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[3]){1|C<3>,2|H<1>}	C[3](C[3]C[3]CC)(C[3]C[3]HH)(CC[6a]2)	120.4795	4.146	2	120.4795	17.187	2	121.1661	5.680	12	120.7378	5.992	14	121.8819	7.189	27	121.8819	7.189	27
930	643	902	0:SP2_SP2_SP2	C	C[6a]	C[3]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C[6a]-3:C[3]-3:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C[3]-4:C-3:	C(C[6a]C[6a]2)2(C[3]C[3]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[3])	C[3](C[3]C[3]HH)2(CC[6a]2)	C(C[6a]C[6a]2)2(C[3]C[3]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[3]){1|C<3>,2|H<1>}	C[3](C[3]C[3]HH)2(CC[6a]2)	122.8270	0.887	4	122.8270	0.787	4	121.1661	5.680	12	120.7378	5.992	14	121.8819	7.189	27	121.8819	7.189	27
930	643	907	0:SP2_SP2_SP3	C	C[6a]	Ge[4]	4:3:3:	3:3:3:	3:4:3:4:	Ge[4]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[4]-3:Si[4]-4:C-3:Si-4:	C(Ge[4]Si[4]C[4]Si)(C[6a]C[6a]2)(CSiH)	C[6a](C[6a]C[6a]H)2(CGe[4]C)	Ge[4](C[4]C[6a]C[4])(Si[4]C[4]Si2)(CC[6a]C)(SiC3)	C(Ge[4]Si[4]C[4]Si)(C[6a]C[6a]2)(CSiH)	C[6a](C[6a]C[6a]H)2(CGe[4]C){1|C<3>,2|H<1>}	Ge[4](C[4]C[6a]C[4])(Si[4]C[4]Si2)(CC[6a]C)(SiC3){1|H<1>,2|C<3>}	113.9620	0.000	1	113.9620	0.000	1	113.9620	0.000	1	113.9620	0.000	1	113.9620	0.000	1	113.9620	0.000	1
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:1:	3:2:3:	3:4:	C[6a]-3:S-2:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:	C(C[6a]C[6a]N[6a])(SC)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COS)	S(CC[6a]O)(CH3)	C(C[6a]C[6a]N[6a])(SC)(O)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(COS){1|C<3>,1|H<1>}	S(CC[6a]O)(CH3)	114.5150	0.000	1	114.5150	0.000	1	114.5150	0.000	1	114.5150	0.000	1	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:1:	3:3:3:	3:2:	C[6a]-3:S-2:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:	C(C[6a]C[6a]2)(SS)(S)	C[6a](C[6a]C[6a]2)2(CSS)	S(CC[6a]S)(SC)	C(C[6a]C[6a]2)(SS)(S)	C[6a](C[6a]C[6a]2)2(CSS){2|H<1>,5|C<3>}	S(CC[6a]S)(SC)	107.7885	0.783	2	107.7885	0.613	2	107.7885	0.613	2	113.4518	43.080	4	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:1:	3:3:3:	3:2:	C[6a]-3:S-2:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:Se-2:	C(C[6a]C[6a]2)(SSe)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CSS)	S(CC[6a]S)(SeS)	C(C[6a]C[6a]2)(SSe)(S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CSS){1|C<3>,2|H<1>}	S(CC[6a]S)(SeS)	119.1150	0.580	2	119.1150	0.336	2	119.1150	0.336	2	113.4518	43.080	4	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:1:	3:3:3:	3:3:	C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(SC)(H)	C[6a](C[6a]C[6a]H)2(CHS)	S(CC[6a]H)(CNS)	C(C[6a]C[6a]2)(SC)(H)	C[6a](C[6a]C[6a]H)2(CHS){1|C<3>,2|H<1>}	S(CC[6a]H)(CNS)	117.7180	0.553	2	117.7180	0.306	2	117.7180	0.306	2	114.5780	2.148	17	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:1:	3:3:3:	3:3:	C[6a]-3:S-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:	C(C[6a]C[6a]2)(SC[5])(O)	C[6a](C[6a]C[6a]H)2(COS)	S(C[5]C[5]S[5])(CC[6a]O)	C(C[6a]C[6a]2)(SC[5])(O)	C[6a](C[6a]C[6a]H)2(COS){1|C<3>,2|H<1>}	S(C[5]C[5]S[5])(CC[6a]O)	113.9578	0.774	6	113.9578	0.599	6	113.9578	0.599	6	114.5780	2.148	17	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:1:	3:3:3:	3:3:	C[6a]-3:S-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(SC[5a])(O)	C[6a](C[6a]C[6a]H)2(COS)	S(C[5a]C[5a,6a]C[5a])(CC[6a]O)	C(C[6a]C[6a]2)(SC[5a])(O)	C[6a](C[6a]C[6a]H)2(COS){1|C<3>,2|H<1>}	S(C[5a]C[5a,6a]C[5a])(CC[6a]O)	114.6900	0.898	2	114.6900	0.806	2	114.4230	0.403	4	114.5780	2.148	17	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:1:	3:3:3:	3:3:	C[6a]-3:S-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(SC[5a])(O)	C[6a](C[6a]C[6a]H)2(COS)	S(C[5a]C[5a]S[5a])(CC[6a]O)	C(C[6a]C[6a]2)(SC[5a])(O)	C[6a](C[6a]C[6a]H)2(COS){1|C<3>,2|H<1>}	S(C[5a]C[5a]S[5a])(CC[6a]O)	114.1560	0.342	2	114.1560	0.117	2	114.4230	0.403	4	114.5780	2.148	17	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:1:	3:3:3:	3:3:	C[6a]-3:S-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(SC[6a])(O)	C[6a](C[6a]C[6a]H)2(COS)	S(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(SC[6a])(O)	C[6a](C[6a]C[6a]H)2(COS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]O)	114.1902	1.320	5	114.1902	1.744	5	114.1902	1.744	5	114.5780	2.148	17	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:1:	3:3:3:	3:4:	C[6a]-3:S-2:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a,6a]C[6a])(SC)(O)	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(COS)	S(CC[6a]O)(CCHH)	C(C[6a]C[6a,6a]C[6a])(SC)(O)	C[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]C[6a]H)(COS){1|C<4>,1|H<1>,3|C<3>}	S(CC[6a]O)(CCHH)	114.4220	0.000	1	114.4220	0.000	1	114.4220	0.000	1	114.6393	1.852	16	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:1:	3:3:3:	3:4:	C[6a]-3:S-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(SC)(O)	C[6a](C[6a]C[6a]H)2(COS)	S(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(SC)(O)	C[6a](C[6a]C[6a]H)2(COS){1|C<3>,2|H<1>}	S(CC[6a]O)(CCHH)	114.8254	0.353	5	114.9378	0.176	6	114.6874	0.585	7	114.6393	1.852	16	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:1:	3:3:3:	3:4:	C[6a]-3:S-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(SC)(O)	C[6a](C[6a]C[6a]H)2(COS)	S(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(SC)(O)	C[6a](C[6a]C[6a]H)2(COS){1|N<2>,2|H<1>}	S(CC[6a]O)(CCHH)	115.5000	0.000	1	114.9378	0.176	6	114.6874	0.585	7	114.6393	1.852	16	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:1:	3:3:3:	3:4:	C[6a]-3:S-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(SC)(O)	C[6a](C[6a]C[6a]H)2(COS)	S(CC[6a]O)(CF3)	C(C[6a]C[6a]2)(SC)(O)	C[6a](C[6a]C[6a]H)2(COS){1|C<3>,1|H<1>,1|O<2>}	S(CC[6a]O)(CF3)	113.1850	0.000	1	113.1850	0.000	1	114.6874	0.585	7	114.6393	1.852	16	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:1:	3:3:3:	3:4:	C[6a]-3:S-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:In-4:	C(C[6a]C[6a]2)(SIn)(O)	C[6a](C[6a]C[6a]H)2(COS)	S(CC[6a]O)(InS3)	C(C[6a]C[6a]2)(SIn)(O)	C[6a](C[6a]C[6a]H)2(COS){1|C<3>,2|H<1>}	S(CC[6a]O)(InS3)	116.2322	0.908	4	116.2322	0.824	4	116.2322	0.824	4	114.6393	1.852	16	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:1:	3:3:3:	3:4:	C[6a]-3:S-2:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(SC)(S)	C[6a](C[6a]C[6a]H)2(CSS)	S(CC[6a]S)(CCHH)	C(C[6a]C[6a]2)(SC)(S)	C[6a](C[6a]C[6a]H)2(CSS){1|C<3>,2|H<1>}	S(CC[6a]S)(CCHH)	112.9013	0.666	3	112.9013	0.443	3	113.0165	0.349	4	114.6393	1.852	16	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:1:	3:3:3:	3:4:	C[6a]-3:S-2:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(SC)(S)	C[6a](C[6a]C[6a]H)2(CSS)	S(CC[6a]S)(CHHS)	C(C[6a]C[6a]2)(SC)(S)	C[6a](C[6a]C[6a]H)2(CSS){1|C<3>,2|H<1>}	S(CC[6a]S)(CHHS)	113.3620	0.000	1	113.3620	0.000	1	113.0165	0.349	4	114.6393	1.852	16	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:1:	3:3:3:	4:3:	C[6a]-3:S-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C-3:	C(C[6a]C[6a]2)(SC[5,5])(O)	C[6a](C[6a]C[6a]H)2(COS)	S(C[5,5]C[5,5]C[5]2)(CC[6a]O)	C(C[6a]C[6a]2)(SC[5,5])(O)	C[6a](C[6a]C[6a]H)2(COS){1|C<3>,2|H<1>}	S(C[5,5]C[5,5]C[5]2)(CC[6a]O)	113.8200	0.000	1	113.8200	0.000	1	113.8200	0.000	1	114.2900	5.669	3	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:1:	3:3:3:	4:3:	C[6a]-3:S-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(SC[6])(O)	C[6a](C[6a]C[6a]H)2(COS)	S(C[6]C[6]2H)(CC[6a]O)	C(C[6a]C[6a]2)(SC[6])(O)	C[6a](C[6a]C[6a]H)2(COS){1|C<3>,2|H<1>}	S(C[6]C[6]2H)(CC[6a]O)	116.8710	0.000	1	116.8710	0.000	1	116.8710	0.000	1	114.2900	5.669	3	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:1:	3:3:3:	4:3:	C[6a]-3:S-2:S-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(SC)(S)	C[6a](C[6a]C[6a]H)2(CSS)	S(CC[6a]CC)(CC[6a]S)	C(C[6a]C[6a]2)(SC)(S)	C[6a](C[6a]C[6a]H)2(CSS){1|C<3>,2|H<1>}	S(CC[6a]CC)(CC[6a]S)	112.1790	0.000	1	112.1790	0.000	1	112.1790	0.000	1	114.2900	5.669	3	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:2:	3:3:3:	3:2:	C[6a]-3:N-2:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:	C(C[6a]C[6a]2)(NN)(SS)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)(SC)	C(C[6a]C[6a]2)(NN)(SS)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	S(CC[6a]N)(SC)	119.9460	0.130	2	119.9460	0.017	2	119.9460	0.017	2	118.0502	2.689	6	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:2:	3:3:3:	3:2:	C[6a]-3:S-2:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:	C(C[6a]C[6a]2)(SRe)(SS)	C[6a](C[6a]C[6a]H)2(CSS)	S(CC[6a]S)(SRe)	C(C[6a]C[6a]2)(SRe)(SS)	C[6a](C[6a]C[6a]H)2(CSS){1|C<3>,2|H<1>}	S(CC[6a]S)(SRe)	117.8530	0.570	2	117.8530	0.325	2	117.1022	0.881	4	118.0502	2.689	6	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:2:	3:3:3:	3:2:	C[6a]-3:S-2:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:	C(C[6a]C[6a]2)(STc)(SS)	C[6a](C[6a]C[6a]H)2(CSS)	S(CC[6a]S)(STc)	C(C[6a]C[6a]2)(STc)(SS)	C[6a](C[6a]C[6a]H)2(CSS){1|C<3>,2|H<1>}	S(CC[6a]S)(STc)	116.3515	0.254	2	116.3515	0.064	2	117.1022	0.881	4	118.0502	2.689	6	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:S-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(SC[5a])	C[6a](C[6a]C[6a]H)2(CNS)	S(C[5a]C[5a]N[5a])(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(SC[5a])	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	S(C[5a]C[5a]N[5a])(CC[6a]N)	119.3630	0.000	1	119.3630	0.000	1	119.3630	0.000	1	116.2300	17.771	4	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:2:	3:3:3:	3:3:	C[6a]-3:N-2:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(SC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNS)	S(C[6a]C[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(SC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CNS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]N)	116.5970	0.000	1	116.5970	0.000	1	116.5970	0.000	1	116.2300	17.771	4	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:2:	3:3:3:	3:3:	C[6a]-3:S-2:N-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(SC[6a])(NC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(CNS)	S(C[6a]C[6a,6a]C[6a])(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(SC[6a])(NC)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(CNS){2|H<1>,3|C<3>}	S(C[6a]C[6a,6a]C[6a])(CC[6a]N)	110.1650	0.000	1	110.1650	0.000	1	110.1650	0.000	1	116.2300	17.771	4	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:2:	3:3:3:	3:3:	C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(SC[6a])(NMo)	C[6a](C[6a]C[6a]H)2(CNS)	S(C[6a]C[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(SC[6a])(NMo)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]N)	118.7950	0.000	1	118.7950	0.000	1	118.7950	0.000	1	116.2300	17.771	4	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:2:	3:3:3:	3:4:	C[6a]-3:C-2:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CC)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	S(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CC)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(CC[6a]C)(CCHH)	117.6805	0.217	2	117.6805	0.047	2	117.6805	0.047	2	117.6805	0.047	2	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:2:	3:3:3:	4:3:	C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:	C(C[6a]C[6a]2)(SC[6])(NO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNS)	S(C[6]C[6]O[6]H)(CC[6a]N)	C(C[6a]C[6a]2)(SC[6])(NO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CNS){1|Cl<1>,1|C<3>,1|H<1>}	S(C[6]C[6]O[6]H)(CC[6a]N)	121.5330	0.000	1	121.5330	0.000	1	121.5330	0.000	1	121.5330	0.000	1	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:3:	3:3:3:	3:3:	C[6a]-3:S-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(SC[6a])(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCS)	S(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(SC[6a])(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]C)	118.8410	0.895	2	118.8410	0.801	2	118.3258	1.702	12	118.3258	1.702	12	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:3:	3:3:3:	3:3:	C[6a]-3:S-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(SC[6a])(CCC)	C[6a](C[6a]C[6a]H)2(CCS)	S(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(SC[6a])(CCC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]C)	118.0387	0.765	3	118.0387	0.586	3	118.3258	1.702	12	118.3258	1.702	12	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:3:	3:3:3:	3:3:	C[6a]-3:S-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(SC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CCS)	S(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(SC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]C)	119.2370	1.666	3	119.2370	2.774	3	118.3258	1.702	12	118.3258	1.702	12	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:3:	3:3:3:	3:3:	C[6a]-3:S-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(SC[6a])(CCI)	C[6a](C[6a]C[6a]H)2(CCS)	S(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(SC[6a])(CCI)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]C)	116.1990	0.000	1	116.1990	0.000	1	118.3258	1.702	12	118.3258	1.702	12	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:3:	3:3:3:	3:3:	C[6a]-3:S-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(SC[6a])(CCS)	C[6a](C[6a]C[6a]H)2(CCS)	S(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(SC[6a])(CCS)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]C)	119.4920	0.000	1	119.4920	0.000	1	118.3258	1.702	12	118.3258	1.702	12	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:3:	3:3:3:	3:3:	C[6a]-3:S-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(SC[6a])(CHP)	C[6a](C[6a]C[6a]H)2(CCS)	S(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(SC[6a])(CHP)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]C)	117.6360	0.000	1	117.6360	0.000	1	118.3258	1.702	12	118.3258	1.702	12	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:3:	3:3:3:	3:3:	C[6a]-3:S-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(SC[6a])(CSiC)	C[6a](C[6a]C[6a]H)2(CCS)	S(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(SC[6a])(CSiC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]C)	117.0730	0.000	1	117.0730	0.000	1	118.3258	1.702	12	118.3258	1.702	12	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:2:3:	3:3:3:	4:3:	C[6a]-3:S-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(SC[5])(CIrH)	C[6a](C[6a]C[6a]H)2(CCS)	S(C[5]C[5]2Ir)(CC[6a]C)	C(C[6a]C[6a]2)(SC[5])(CIrH)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(C[5]C[5]2Ir)(CC[6a]C)	115.0710	0.000	1	115.0710	0.000	1	115.0710	0.000	1	115.0710	0.000	1	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:1:	C[6a]-3:N-3:S-2:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:O-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(SO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(CNS)	S(CC[6a]N)(O)	C(C[6a]C[6a,6a]C[6a])(NCH)(SO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(CNS){2|H<1>,3|C<3>}	S(CC[6a]N)(O)	115.6250	0.000	1	115.6250	0.000	1	116.5903	0.699	3	116.8516	1.937	5	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:1:	C[6a]-3:N-3:S-2:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:O-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(SO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CNS)	S(CC[6a]N)(O)	C(C[6a]C[6a,6a]C[6a])(NCH)(SO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CNS){2|H<1>,3|C<3>}	S(CC[6a]N)(O)	117.0870	0.000	1	117.0870	0.000	1	116.5903	0.699	3	116.8516	1.937	5	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:1:	C[6a]-3:N-3:S-2:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:O-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(SO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNS)	S(CC[6a]N)(O)	C(C[6a]C[6a,6a]C[6a])(NCH)(SO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CNS){2|H<1>,3|C<3>}	S(CC[6a]N)(O)	117.0590	0.000	1	117.0590	0.000	1	116.5903	0.699	3	116.8516	1.937	5	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:1:	C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-1:	C(C[6a]C[6a]2)(NHH)(SO)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)(O)	C(C[6a]C[6a]2)(NHH)(SO)	C[6a](C[6a]C[6a]H)2(CNS){1|C<4>,1|H<1>,1|N<2>}	S(CC[6a]N)(O)	117.2435	2.416	2	117.2435	5.838	2	117.2435	5.838	2	116.8516	1.937	5	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CCH)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	S(CC[6a]C)(CN)	C(C[6a]C[6a]2)(CCH)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(CC[6a]C)(CN)	119.3850	0.000	1	119.3850	0.000	1	119.4845	4.998	4	119.4845	4.998	4	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CHN)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	S(CC[6a]C)(CN)	C(C[6a]C[6a]2)(CHN)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(CC[6a]C)(CN)	122.6780	0.000	1	122.6780	0.000	1	119.4845	4.998	4	119.4845	4.998	4	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:2:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CHS)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	S(CC[6a]C)(CN)	C(C[6a]C[6a]2)(CHS)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(CC[6a]C)(CN)	117.9375	0.018	2	117.9375	0.000	2	119.4845	4.998	4	119.4845	4.998	4	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:3:	C-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(CC[6a]N[5a])(C[6a]C[6a]2)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	S(CC[6a]C)(CCC)	C(CC[6a]N[5a])(C[6a]C[6a]2)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(CC[6a]C)(CCC)	116.6610	0.000	1	116.6610	0.000	1	116.6610	0.000	1	116.2361	3.902	14	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(SC)	C[6a](C[6a]C[6a]H)2(CC[5]S)	S(CC[6a]C[5])(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(SC)	C[6a](C[6a]C[6a]H)2(CC[5]S){1|C<3>,2|H<1>}	S(CC[6a]C[5])(CC[6a]C)	113.8150	0.000	1	113.8150	0.000	1	113.8150	0.000	1	116.2361	3.902	14	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6a]-3:	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(SC[6a])	C[6a](C[6a]C[6a]H)2(CC[5a]S)	S(CC[5a]C[6a])(C[6a]C[6a]2)	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(SC[6a])	C[6a](C[6a]C[6a]H)2(CC[5a]S){1|C<3>,2|H<1>}	S(CC[5a]C[6a])(C[6a]C[6a]2)	117.0080	0.000	1	117.0080	0.000	1	117.0080	0.000	1	116.2361	3.902	14	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CCH)(SC)	C[6a](C[6a]C[6a]C)2(CCS)	S(CC[6a]C[5])(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(SC)	C[6a](C[6a]C[6a]C)2(CCS){1|C<3>,2|H<1>}	S(CC[6a]C[5])(CC[6a]C)	112.8220	0.000	1	112.8220	0.000	1	112.8220	0.000	1	116.2361	3.902	14	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]H)(SC[6a])	C[6a](C[6a]C[6a]H)2(CCS)	S(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(SC[6a])	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]C)	118.1820	0.000	1	118.1820	0.000	1	116.6999	3.365	10	116.2361	3.902	14	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(SC[6a])	C[6a](C[6a]C[6a]H)2(CCS)	S(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(SC[6a])	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]C)	116.1685	1.320	2	116.1685	1.743	2	116.6999	3.365	10	116.2361	3.902	14	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(SC[6a])	C[6a](C[6a]C[6a]H)2(CCS)	S(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(SC[6a])	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(CC[6a]C)	117.0207	2.730	4	117.0207	7.453	4	116.6999	3.365	10	116.2361	3.902	14	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(SC[6a])	C[6a](C[6a]C[6a]H)2(CCS)	S(C[6a]N[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(SC[6a])	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(C[6a]N[6a]2)(CC[6a]C)	116.1323	1.011	3	116.1323	1.023	3	116.6999	3.365	10	116.2361	3.902	14	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:4:	C[5]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(SC)	C[6a](C[6a]C[6a]H)2(CC[5]S)	S(CC[6a]C[5])(CC[6a]HH)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(SC)	C[6a](C[6a]C[6a]H)2(CC[5]S){1|C<3>,2|H<1>}	S(CC[6a]C[5])(CC[6a]HH)	118.5650	0.000	1	118.5650	0.000	1	118.5650	0.000	1	117.2606	11.191	20	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:4:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CCH)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	S(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CCH)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,1|H<1>,1|N<3>}	S(CC[6a]C)(CCHH)	110.0510	0.351	2	115.3173	16.675	6	116.8109	11.182	17	117.2606	11.191	20	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:4:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CCH)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	S(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CCH)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(CC[6a]C)(CCHH)	117.9505	0.130	4	115.3173	16.675	6	116.8109	11.182	17	117.2606	11.191	20	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:4:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CCH)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	S(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(CCH)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(CC[6a]C)(CH3)	120.2940	0.000	1	120.2940	0.000	1	116.8109	11.182	17	117.2606	11.191	20	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:4:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(SC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCS)	S(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(CC[6a]C)(SC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCS){1|C<3>,1|H<1>}	S(CC[6a]C)(CH3)	118.9350	0.000	1	118.9350	0.000	1	116.8109	11.182	17	117.2606	11.191	20	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:4:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	S(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(CC[6a]C)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(CC[6a]C)(CH3)	118.4083	0.764	3	118.4083	0.583	3	116.8109	11.182	17	117.2606	11.191	20	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:4:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]Cl)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	S(CC[6a]C)(CFFP)	C(C[6a]C[6a]2)(CC[6a]Cl)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(CC[6a]C)(CFFP)	117.0630	0.000	1	117.0630	0.000	1	116.8109	11.182	17	117.2606	11.191	20	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:4:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]N[5])(SC)	C[6a](C[6a]C[6a]H)2(CCS)	S(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CC[6a]N[5])(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(CC[6a]C)(CCHH)	117.4370	0.000	1	117.4370	0.000	1	116.8109	11.182	17	117.2606	11.191	20	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:4:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]S)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	S(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(CC[6a]S)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(CC[6a]C)(CH3)	116.4410	0.000	1	116.4410	0.000	1	116.8109	11.182	17	117.2606	11.191	20	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:4:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CHP)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	S(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CHP)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(CC[6a]C)(CCHH)	119.1845	0.169	2	119.1845	0.029	2	116.8109	11.182	17	117.2606	11.191	20	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:4:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(CHS)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	S(CC[6a]C)(CFFH)	C(C[6a]C[6a]2)(CHS)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(CC[6a]C)(CFFH)	110.1180	0.000	1	110.1180	0.000	1	116.8109	11.182	17	117.2606	11.191	20	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:4:	C[6a]-3:C[6]-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(SC)	C[6a](C[6a]C[6a]H)2(CC[6]S)	S(CC[6a]C[6])(CH3)	C(C[6a]C[6a]2)(C[6]C[6]2)(SC)	C[6a](C[6a]C[6a]H)2(CC[6]S){1|C<3>,2|H<1>}	S(CC[6a]C[6])(CH3)	118.3720	0.000	1	118.3720	0.000	1	118.3720	0.000	1	117.2606	11.191	20	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	3:4:	C[6a]-3:N-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[6a]C[6a]2)(NCO)(SC)	C[6a](C[6a]C[6a]H)2(CNS)	S(CC[6a]N)(CH3)	C(C[6a]C[6a]2)(NCO)(SC)	C[6a](C[6a]C[6a]H)2(CNS){1|C<3>,2|H<1>}	S(CC[6a]N)(CH3)	122.4890	0.000	1	122.4890	0.000	1	122.4890	0.000	1	117.2606	11.191	20	116.3214	8.026	111	116.3214	8.026	111
930	643	909	0:SP2_SP2_SP2	C	C[6a]	S	3:3:2:	3:3:3:	4:3:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:	C(C[6a]C[6a]2)(CCH)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	S(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	S(CC[6a]HH)(CC[6a]C)	118.6200	0.000	1	118.6200	0.000	1	118.6200	0.000	1	118.6200	0.000	1	116.3214	8.026	111	116.3214	8.026	111
930	643	921	0:SP2_SP2_SP3	C	C[6a]	Se	3:2:1:	3:3:3:	3:2:	C[6a]-3:Se-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:Se-2:	C(C[6a]C[6a]2)(SeSe)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CSeO)	Se(CC[6a]O)(SeC)	C(C[6a]C[6a]2)(SeSe)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CSeO){1|C<3>,2|H<1>}	Se(CC[6a]O)(SeC)	118.4428	0.209	4	118.4428	0.044	4	118.4428	0.044	4	118.4428	0.044	4	115.6318	14.807	22	115.6318	14.807	22
930	643	921	0:SP2_SP2_SP3	C	C[6a]	Se	3:2:1:	3:3:3:	3:3:	C[6a]-3:Se-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(SeC[6a])(O)	C[6a](C[6a]C[6a]C)2(CSeO)	Se(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(SeC[6a])(O)	C[6a](C[6a]C[6a]C)2(CSeO){1|C<3>,2|C<4>}	Se(C[6a]C[6a]2)(CC[6a]O)	110.1457	0.190	3	110.1457	0.036	3	110.1457	0.036	3	110.1457	0.036	3	115.6318	14.807	22	115.6318	14.807	22
930	643	921	0:SP2_SP2_SP3	C	C[6a]	Se	3:2:1:	3:3:3:	4:3:	C[6a]-3:Se-2:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:	C(C[6a]C[6a]2)(SeC[5])(O)	C[6a](C[6a]C[6a]C)2(CSeO)	Se(C[5]C[5]2Fe)(CC[6a]O)	C(C[6a]C[6a]2)(SeC[5])(O)	C[6a](C[6a]C[6a]C)2(CSeO){1|C<3>,2|C<4>}	Se(C[5]C[5]2Fe)(CC[6a]O)	112.4610	0.000	1	112.4610	0.000	1	112.4610	0.000	1	114.4950	8.274	2	115.6318	14.807	22	115.6318	14.807	22
930	643	921	0:SP2_SP2_SP3	C	C[6a]	Se	3:2:1:	3:3:3:	4:3:	C[6a]-3:Se-2:O-1:	C[6a]-3:C[6a]-3:C-3:	Ge-4:C-3:	C(C[6a]C[6a]2)(SeGe)(O)	C[6a](C[6a]C[6a]H)2(CSeO)	Se(GeC[6a]3)(CC[6a]O)	C(C[6a]C[6a]2)(SeGe)(O)	C[6a](C[6a]C[6a]H)2(CSeO){1|C<3>,2|H<1>}	Se(GeC[6a]3)(CC[6a]O)	116.5290	0.000	1	116.5290	0.000	1	116.5290	0.000	1	114.4950	8.274	2	115.6318	14.807	22	115.6318	14.807	22
930	643	921	0:SP2_SP2_SP3	C	C[6a]	Se	3:2:3:	3:3:3:	3:3:	C[6a]-3:Se-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(SeC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CSeC)	Se(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(SeC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CSeC){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CC[6a]C)	117.9580	0.000	1	117.9580	0.000	1	114.1415	19.119	6	114.1415	19.119	6	115.6318	14.807	22	115.6318	14.807	22
930	643	921	0:SP2_SP2_SP3	C	C[6a]	Se	3:2:3:	3:3:3:	3:3:	C[6a]-3:Se-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(SeC[6a])(CCS)	C[6a](C[6a]C[6a]H)2(CSeC)	Se(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(SeC[6a])(CCS)	C[6a](C[6a]C[6a]H)2(CSeC){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CC[6a]C)	116.5470	1.103	3	116.5470	1.217	3	114.1415	19.119	6	114.1415	19.119	6	115.6318	14.807	22	115.6318	14.807	22
930	643	921	0:SP2_SP2_SP3	C	C[6a]	Se	3:2:3:	3:3:3:	3:3:	C[6a]-3:Se-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(SeC[6a])(CHS)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CSeC)	Se(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(SeC[6a])(CHS)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CSeC){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CC[6a]C)	109.0550	0.000	1	109.0550	0.000	1	114.1415	19.119	6	114.1415	19.119	6	115.6318	14.807	22	115.6318	14.807	22
930	643	921	0:SP2_SP2_SP3	C	C[6a]	Se	3:2:3:	3:3:3:	3:3:	C[6a]-3:Se-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(SeC[6a])(CHS)	C[6a](C[6a]C[6a]H)2(CSeC)	Se(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(SeC[6a])(CHS)	C[6a](C[6a]C[6a]H)2(CSeC){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CC[6a]C)	108.1950	0.000	1	108.1950	0.000	1	114.1415	19.119	6	114.1415	19.119	6	115.6318	14.807	22	115.6318	14.807	22
930	643	921	0:SP2_SP2_SP3	C	C[6a]	Se	3:3:2:	3:3:3:	3:2:	C[6a]-3:C[6]-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	C-3:Se-2:	C(C[6a]C[6a]2)(C[6]Se[6]2)(SeSe)	C[6a](C[6a]C[6a]C)2(CC[6]Se)	Se(CC[6a]C[6])(SeC[6])	C(C[6a]C[6a]2)(C[6]Se[6]2)(SeSe)	C[6a](C[6a]C[6a]C)2(CC[6]Se){1|C<3>,2|H<1>}	Se(CC[6a]C[6])(SeC[6])	120.8330	0.000	1	120.8330	0.000	1	120.8330	0.000	1	120.8330	0.000	1	115.6318	14.807	22	115.6318	14.807	22
930	643	921	0:SP2_SP2_SP3	C	C[6a]	Se	3:3:2:	3:3:3:	3:3:	C[5]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[5]N[5,6]C[5])(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]H)2(CC[5]Se)	Se(C[6a]C[6a]2)(CC[6a]C[5])	C(C[5]N[5,6]C[5])(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]H)2(CC[5]Se){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CC[6a]C[5])	117.6457	0.629	3	117.6457	0.395	3	117.6457	0.395	3	116.8570	2.117	5	115.6318	14.807	22	115.6318	14.807	22
930	643	921	0:SP2_SP2_SP3	C	C[6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]S)(SeC[6a])	C[6a](C[6a]C[6a]H)2(CSeC)	Se(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]S)(SeC[6a])	C[6a](C[6a]C[6a]H)2(CSeC){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CC[6a]C)	116.9010	0.000	1	116.9010	0.000	1	115.6740	3.011	2	116.8570	2.117	5	115.6318	14.807	22	115.6318	14.807	22
930	643	921	0:SP2_SP2_SP3	C	C[6a]	Se	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]Se)(SeC[6a])	C[6a](C[6a]C[6a]H)2(CSeC)	Se(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Se)(SeC[6a])	C[6a](C[6a]C[6a]H)2(CSeC){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(CC[6a]C)	114.4470	0.000	1	114.4470	0.000	1	115.6740	3.011	2	116.8570	2.117	5	115.6318	14.807	22	115.6318	14.807	22
930	643	921	0:SP2_SP2_SP3	C	C[6a]	Se	3:3:2:	3:3:3:	3:4:	C[5]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(SeC)	C[6a](C[6a]C[6a]H)2(CC[5]Se)	Se(CC[6a]C[5])(CC[6a]HH)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(SeC)	C[6a](C[6a]C[6a]H)2(CC[5]Se){1|C<3>,2|H<1>}	Se(CC[6a]C[5])(CC[6a]HH)	120.7350	0.000	1	120.7350	0.000	1	120.7350	0.000	1	120.7350	0.000	1	115.6318	14.807	22	115.6318	14.807	22
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:1:1:	3:3:3:	3:	C[6a]-3:Br-1:Br-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(Br)2	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CBr2)	Br(CC[6a]Br)	C(C[6a]C[6a,6a]2)(Br)2	C[6a](C[6a,6a]C[6a,6a]N[6a])2(CBr2){2|N<2>,3|C<3>}	Br(CC[6a]Br)	124.8310	0.536	4	124.8310	0.287	4	124.8310	0.287	4	124.8310	0.287	4	114.4851	9.503	59	114.4851	9.503	59
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:2:1:	3:3:3:	3:	C[6a]-3:C-2:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	Br(CC[6a]C)	C(C[6a]C[6a]2)(CC)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	Br(CC[6a]C)	116.2170	0.000	1	116.2170	0.000	1	116.2170	0.000	1	116.2170	0.000	1	114.4851	9.503	59	114.4851	9.503	59
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[5]Br)	Br(CC[6a]C[5])	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[5]Br){1|C<3>,2|H<1>}	Br(CC[6a]C[5])	114.9810	0.393	2	114.9810	0.155	2	115.2216	0.135	8	113.6867	1.599	54	114.4851	9.503	59	114.4851	9.503	59
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[5]Br)	Br(CC[6a]C[5])	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[5]Br){1|C<3>,2|H<1>}	Br(CC[6a]C[5])	115.4525	0.311	4	115.4525	0.097	4	115.2216	0.135	8	113.6867	1.599	54	114.4851	9.503	59	114.4851	9.503	59
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[5]Br)	Br(CC[6a]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[5]Br){1|C<3>,1|F<1>,1|H<1>}	Br(CC[6a]C[5])	114.8110	0.000	1	115.0005	0.072	2	115.2216	0.135	8	113.6867	1.599	54	114.4851	9.503	59	114.4851	9.503	59
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[5]Br)	Br(CC[6a]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[5]Br){1|C<3>,2|H<1>}	Br(CC[6a]C[5])	115.1900	0.000	1	115.0005	0.072	2	115.2216	0.135	8	113.6867	1.599	54	114.4851	9.503	59	114.4851	9.503	59
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[6]Br)	Br(CC[6a]C[6])	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[6]Br){1|C<3>,2|H<1>}	Br(CC[6a]C[6])	111.7230	0.000	1	111.7230	0.000	1	111.7230	0.000	1	113.6867	1.599	54	114.4851	9.503	59	114.4851	9.503	59
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBrC)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	Br(CC[6a]C)	C(C[6a]C[6a]2)(CBrC)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	Br(CC[6a]C)	112.6186	0.759	5	112.6186	0.575	5	113.4259	1.231	42	113.6867	1.599	54	114.4851	9.503	59	114.4851	9.503	59
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CBrN)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	Br(CC[6a]C)	C(C[6a]C[6a]2)(CBrN)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	Br(CC[6a]C)	114.3990	0.000	1	114.3990	0.000	1	113.4259	1.231	42	113.6867	1.599	54	114.4851	9.503	59	114.4851	9.503	59
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(Br)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CBrC)	Br(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(Br)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CBrC){1|C<3>,2|H<1>}	Br(CC[6a]C)	114.2290	0.424	2	114.2290	0.180	2	113.4259	1.231	42	113.6867	1.599	54	114.4851	9.503	59	114.4851	9.503	59
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	Br(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	Br(CC[6a]C)	114.4376	1.602	5	114.4376	2.565	5	113.4259	1.231	42	113.6867	1.599	54	114.4851	9.503	59	114.4851	9.503	59
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCN)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	Br(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	Br(CC[6a]C)	113.9315	1.037	2	113.9315	1.076	2	113.4259	1.231	42	113.6867	1.599	54	114.4851	9.503	59	114.4851	9.503	59
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]Br)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	Br(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]Br)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	Br(CC[6a]C)	114.1790	0.000	2	114.1790	0.000	2	113.4259	1.231	42	113.6867	1.599	54	114.4851	9.503	59	114.4851	9.503	59
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6]H)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	Br(CC[6a]C)	C(C[6a]C[6a]2)(CC[6]H)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	Br(CC[6a]C)	114.0715	0.596	4	114.0715	0.355	4	113.4259	1.231	42	113.6867	1.599	54	114.4851	9.503	59	114.4851	9.503	59
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	Br(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	Br(CC[6a]C)	113.0370	0.278	5	113.0370	0.077	5	113.4259	1.231	42	113.6867	1.599	54	114.4851	9.503	59	114.4851	9.503	59
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]B)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	Br(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	Br(CC[6a]C)	112.3540	0.000	1	112.3540	0.000	1	113.4259	1.231	42	113.6867	1.599	54	114.4851	9.503	59	114.4851	9.503	59
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]B[5])(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	Br(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B[5])(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	Br(CC[6a]C)	112.3710	0.000	1	112.3710	0.000	1	113.4259	1.231	42	113.6867	1.599	54	114.4851	9.503	59	114.4851	9.503	59
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]Br)(Br)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CBrC)	Br(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Br)(Br)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CBrC){1|C<3>,1|H<1>}	Br(CC[6a]C)	114.1400	0.000	2	114.1400	0.000	2	113.4259	1.231	42	113.6867	1.599	54	114.4851	9.503	59	114.4851	9.503	59
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]Br)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	Br(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Br)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	Br(CC[6a]C)	113.1869	1.317	7	113.1869	1.734	7	113.4259	1.231	42	113.6867	1.599	54	114.4851	9.503	59	114.4851	9.503	59
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]C)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	Br(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	Br(CC[6a]C)	111.9660	0.013	2	111.9660	0.000	2	113.4259	1.231	42	113.6867	1.599	54	114.4851	9.503	59	114.4851	9.503	59
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]N)(Br)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CBrC)	Br(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]N)(Br)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CBrC){1|C<3>,2|H<1>}	Br(CC[6a]C)	113.3100	0.839	2	113.3100	0.703	2	113.4259	1.231	42	113.6867	1.599	54	114.4851	9.503	59	114.4851	9.503	59
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]S)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	Br(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]S)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	Br(CC[6a]C)	112.1940	0.000	1	112.1940	0.000	1	113.4259	1.231	42	113.6867	1.599	54	114.4851	9.503	59	114.4851	9.503	59
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[4]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[4]Br)	Br(CC[6a]C[4])	C(C[6a]C[6a]2)(C[4]C[4]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[4]Br){1|C<3>,2|H<1>}	Br(CC[6a]C[4])	116.1550	0.000	1	116.1550	0.000	1	116.1550	0.000	1	113.6867	1.599	54	114.4851	9.503	59	114.4851	9.503	59
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[5]Br)	Br(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[5]Br){1|C<3>,2|H<1>}	Br(CC[6a]C[5])	112.6710	0.000	1	112.6710	0.000	1	112.6710	0.000	1	113.6867	1.599	54	114.4851	9.503	59	114.4851	9.503	59
930	643	924	0:SP2_SP-NON_SP2	C	C[6a]	Br	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[6]Br)	Br(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[6]Br){1|C<3>,1|H<1>,1|O<2>}	Br(CC[6a]C[6])	112.8690	0.000	1	112.8690	0.000	1	112.8690	0.000	1	113.6867	1.599	54	114.4851	9.503	59	114.4851	9.503	59
930	643	927	0:SP2_SP2_SP2	C	C[6a]	B[6a]	3:3:2:	3:3:3:	3:3:3:	B[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:C-3:	C(B[6a]N[6a]2)(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CB[6a]C)	B[6a](N[6a]C[6a,6a]H)2(CC[6a]C)	C(B[6a]N[6a]2)(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CB[6a]C){1|C<3>,2|H<1>}	B[6a](N[6a]C[6a,6a]H)2(CC[6a]C){3|C<3>}	119.5600	0.000	1	119.5600	0.000	1	119.5600	0.000	1	119.5600	0.000	1	119.3115	0.124	2	119.3115	0.124	2
930	643	927	0:SP2_SP2_SP2	C	C[6a]	B[6a]	3:3:3:	3:3:3:	3:3:3:	B[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:C-3:	C(B[6a]N[6a]2)(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CB[6a]C)	B[6a](N[6a]C[6a,6a]H)2(CC[6a]C)	C(B[6a]N[6a]2)(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CB[6a]C){1|C<3>,2|H<1>}	B[6a](N[6a]C[6a,6a]H)2(CC[6a]C){3|C<3>}	119.0630	0.000	1	119.0630	0.000	1	119.0630	0.000	1	119.0630	0.000	1	119.3115	0.124	2	119.3115	0.124	2
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:O-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:F-1:F-1:	C(C[6a]C[6a]2)(OSi[4])(CFF)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(F)2	C(C[6a]C[6a]2)(OSi[4])(CFF)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(F)2	122.7010	0.000	1	122.7010	0.000	1	122.7010	0.000	1	126.4290	10.770	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:O-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(OC[5a])(CHH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(OC[5a])(CHH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(H)2	127.7040	0.000	1	127.7040	0.000	1	128.2930	0.694	2	126.4290	10.770	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:1:1:	C[6a]-3:O-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(OC[6a])(CHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(OC[6a])(CHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(H)2	128.8820	0.000	1	128.8820	0.000	1	128.2930	0.694	2	126.4290	10.770	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:2:1:	C[6a]-3:I-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(IC[6a])(CHO)	C[6a](C[6a]C[6a]H)2(CCI)	C(CC[6a]I)(OC)(H)	C(C[6a]C[6a]2)(IC[6a])(CHO)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	C(CC[6a]I)(OC)(H)	125.2160	0.000	1	125.2160	0.000	1	125.2160	0.000	1	122.2964	29.646	10	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:2:1:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(NC[6a])(COO)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(OC)(O)	C(C[6a]C[6a]2)(NC[6a])(COO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(OC)(O)	116.2182	0.667	4	116.2182	0.445	4	116.2182	0.445	4	122.2964	29.646	10	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:2:1:	C[6a]-3:O-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(OC[6a])(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CN)(H)	C(C[6a]C[6a]2)(OC[6a])(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CN)(H)	123.3530	0.000	1	123.3530	0.000	1	126.5750	4.413	5	122.2964	29.646	10	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:2:1:	C[6a]-3:O-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(OC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CN)(H)	C(C[6a]C[6a]2)(OC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CN)(H)	127.3805	1.248	4	127.3805	1.558	4	126.5750	4.413	5	122.2964	29.646	10	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:2:2:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:O-2:	C(C[6a]C[6a]2)(NC[6])(CNO)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(NC[6])(OC)	C(C[6a]C[6a]2)(NC[6])(CNO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NC[6])(OC)	116.8620	0.461	2	116.8620	0.213	2	117.1253	0.314	3	117.1253	0.314	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:2:2:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:O-2:	C(C[6a]C[6a]2)(NC[6a])(CNO)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(NS)(OC)	C(C[6a]C[6a]2)(NC[6a])(CNO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NS)(OC)	117.6520	0.000	1	117.6520	0.000	1	117.1253	0.314	3	117.1253	0.314	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:2:3:	C[6a]-3:S-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:C-3:	C(C[6a]C[6a]2)(SC[6a])(CCS)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(SC[6a])(COO)	C(C[6a]C[6a]2)(SC[6a])(CCS)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(SC[6a])(COO)	124.3810	0.000	1	124.3810	0.000	1	124.3810	0.000	1	124.3810	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]C)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]N)(H)	116.8840	0.018	2	116.8840	0.000	2	119.9020	5.142	7	121.0263	19.712	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]N)(H)	119.7940	0.000	1	119.7940	0.000	1	119.9020	5.142	7	121.0263	19.712	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCH)(H)	119.9890	0.000	1	119.9890	0.000	1	119.9020	5.142	7	121.0263	19.712	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CC[6a]O)(H)	122.1390	0.000	1	122.1390	0.000	1	119.9020	5.142	7	121.0263	19.712	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)2(H)	121.8120	0.564	2	121.8120	0.318	2	119.9020	5.142	7	121.0263	19.712	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-1:	C(C[6a]C[6a]2)(NC[6a])(CCO)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)2(O)	C(C[6a]C[6a]2)(NC[6a])(CCO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)2(O)	117.1220	0.262	2	117.1220	0.068	2	117.1220	0.068	2	121.0263	19.712	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NC[6a])(CHN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(NC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a])(CHN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NC[6a]O)(H)	121.4570	0.000	1	121.4570	0.000	1	121.4570	0.000	1	121.0263	19.712	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(NC[6a])(CNO)	C[6a](C[6a]C[6a]C)2(CCN)	C(CC[6a]N)(NCH)(O)	C(C[6a]C[6a]2)(NC[6a])(CNO)	C[6a](C[6a]C[6a]C)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NCH)(O)	116.4718	1.133	4	116.4718	1.283	4	116.2768	1.019	6	121.0263	19.712	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(NC[6a])(CNO)	C[6a](C[6a]C[6a]Cl)2(CCN)	C(CC[6a]N)(NHH)(O)	C(C[6a]C[6a]2)(NC[6a])(CNO)	C[6a](C[6a]C[6a]Cl)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NHH)(O)	115.2580	0.000	1	115.2580	0.000	1	116.2768	1.019	6	121.0263	19.712	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(NC[6a])(CNO)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(NC[6a]H)(O)	C(C[6a]C[6a]2)(NC[6a])(CNO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NC[6a]H)(O)	116.5160	0.000	1	116.5160	0.000	1	116.2768	1.019	6	121.0263	19.712	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:O-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(OC[5])(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(OC[5])(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(COO)(H)	119.2350	0.000	1	119.2350	0.000	1	121.9207	13.631	6	121.0263	19.712	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:O-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(OC[6])(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(OC[6])(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(COO)(H)	120.5760	0.000	1	120.5760	0.000	1	121.9207	13.631	6	121.0263	19.712	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:O-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(OC[6])(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCO)	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(OC[6])(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(COO)(H)	119.4255	0.719	2	119.4255	0.517	2	121.9207	13.631	6	121.0263	19.712	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:O-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(OC[6])(CCH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CHO)(H)	C(C[6a]C[6a]2)(OC[6])(CCH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CHO)(H)	124.7760	0.000	1	124.7760	0.000	1	121.9207	13.631	6	121.0263	19.712	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:O-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(OC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(OC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCN)(H)	128.0860	0.000	1	128.0860	0.000	1	121.9207	13.631	6	121.0263	19.712	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:O-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(ON[6])(CHN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(NOO)(H)	C(C[6a]C[6a]2)(ON[6])(CHN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	C(CC[6a]O)(NOO)(H)	128.9200	0.000	1	128.9200	0.000	1	129.3363	0.503	4	121.0263	19.712	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:O-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(ON[6])(CHN)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NOO)(H)	C(C[6a]C[6a]2)(ON[6])(CHN)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NOO)(H)	129.4750	0.799	3	129.4750	0.639	3	129.3363	0.503	4	121.0263	19.712	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:S-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(SC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(SC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]O)(CC[6a]S)(H)	119.2500	0.000	1	119.2500	0.000	1	120.7060	4.240	2	121.0263	19.712	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:S-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(SC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(CCH)(H)	C(C[6a]C[6a]2)(SC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(CCH)(H)	122.1620	0.000	1	122.1620	0.000	1	120.7060	4.240	2	121.0263	19.712	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:S-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:I-1:	C(C[6a]C[6a]2)(SC[6a])(CCI)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(CCH)(I)	C(C[6a]C[6a]2)(SC[6a])(CCI)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(CCH)(I)	125.1810	0.000	1	125.1810	0.000	1	125.1810	0.000	1	121.0263	19.712	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:S-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:P-3:H-1:	C(C[6a]C[6a]2)(SC[6a])(CHP)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(PC[6]2)(H)	C(C[6a]C[6a]2)(SC[6a])(CHP)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(PC[6]2)(H)	123.6790	0.000	1	123.6790	0.000	1	123.6790	0.000	1	121.0263	19.712	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:1:	C[6a]-3:Se-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(SeC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CSeC)	C(CC[6a]Se)(COO)(H)	C(C[6a]C[6a]2)(SeC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CSeC){1|C<3>,2|H<1>}	C(CC[6a]Se)(COO)(H)	119.9980	0.000	1	119.9980	0.000	1	119.9980	0.000	1	121.0263	19.712	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:2:	C[6a]-3:O-2:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-3:N-2:	C(C[6a]C[6a,6a]C[6a])(OC[6a])(CNN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(NCS)(NC)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(CNN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	C(CC[6a]O)(NCS)(NC)	128.1020	0.000	1	128.1020	0.000	1	128.1020	0.000	1	129.8280	5.958	2	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:2:	C[6a]-3:O-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:N-2:	C(C[6a]C[6a]2)(OC[6a])(CNN)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NCS)(NC)	C(C[6a]C[6a]2)(OC[6a])(CNN)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NCS)(NC)	131.5540	0.000	1	131.5540	0.000	1	131.5540	0.000	1	129.8280	5.958	2	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:3:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]C)(CC[6a]N)(CCN)	C(C[6a]C[6a]2)(NC[6a])(CCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]N)(CCN)	116.0050	0.000	1	116.0050	0.000	1	117.5310	0.702	8	118.9590	6.503	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:3:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CHN)(CNO)	C(C[6a]C[6a]2)(NC[6a])(CCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CHN)(CNO)	117.9306	0.515	5	117.9306	0.265	5	117.5310	0.702	8	118.9590	6.503	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:3:	C[6a]-3:N-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(CCC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CHN)(CNS)	C(C[6a]C[6a]2)(NC[6a])(CCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CHN)(CNS)	117.2950	0.782	2	117.2950	0.612	2	117.5310	0.702	8	118.9590	6.503	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:3:	C[6a]-3:S-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(SC[6a])(CCC)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(CCC)(COO)	C(C[6a]C[6a]2)(SC[6a])(CCC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(CCC)(COO)	122.9595	0.285	2	122.9595	0.081	2	122.7670	0.152	3	118.9590	6.503	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:3:3:	C[6a]-3:S-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(SC[6a])(CCC)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(CCN)(COO)	C(C[6a]C[6a]2)(SC[6a])(CCC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(CCN)(COO)	122.3820	0.000	1	122.3820	0.000	1	122.7670	0.152	3	118.9590	6.503	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:4:1:	C[6a]-3:O-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(OC[5a])(CCH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCHO)(H)	C(C[6a]C[6a]2)(OC[5a])(CCH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCHO)(H)	123.9670	0.000	1	123.9670	0.000	1	123.9670	0.000	1	124.6500	9.729	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:4:1:	C[6a]-3:O-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:H-1:	C(C[6a]C[6a]2)(ON[5])(CHP)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(PO3)(H)	C(C[6a]C[6a]2)(ON[5])(CHP)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(PO3)(H)	128.0540	0.000	1	128.0540	0.000	1	128.0540	0.000	1	124.6500	9.729	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:4:1:	C[6a]-3:S-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(SC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(CF3)(H)	C(C[6a]C[6a]2)(SC[6a])(CCH)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(CF3)(H)	121.9290	0.000	1	121.9290	0.000	1	121.9290	0.000	1	124.6500	9.729	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:4:2:	C[6a]-3:S-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-2:	C(C[6a]C[6a]2)(SC[6a])(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCS)	C(CC[6a]S)(CH3)(CN)	C(C[6a]C[6a]2)(SC[6a])(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(CH3)(CN)	122.3475	1.850	2	122.3475	3.424	2	122.3475	3.424	2	122.4743	1.760	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	3:4:2:	C[6a]-3:S-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:C-2:	C(C[6a]C[6a]2)(SC[6a])(CSiC)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(SiC3)(CN)	C(C[6a]C[6a]2)(SC[6a])(CSiC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(SiC3)(CN)	122.7280	0.000	1	122.7280	0.000	1	122.7280	0.000	1	122.4743	1.760	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	4:3:1:	C[6a]-3:O-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(OB[5])(CCH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]P[5]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(OB[5])(CCH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]P[5]H)(CC[6a]O)(H)	124.8360	0.000	1	124.8360	0.000	1	124.8360	0.000	1	127.5330	6.040	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	4:3:1:	C[6a]-3:Se-2:C-3:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(SeC[6a])(CHS)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CSeC)	C(SC[6a]OO)(CC[6a]Se)(H)	C(C[6a]C[6a]2)(SeC[6a])(CHS)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CSeC){1|C<3>,2|H<1>}	C(SC[6a]OO)(CC[6a]Se)(H)	128.1170	0.000	1	128.1170	0.000	1	128.8815	1.169	2	127.5330	6.040	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	4:3:1:	C[6a]-3:Se-2:C-3:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(SeC[6a])(CHS)	C[6a](C[6a]C[6a]H)2(CSeC)	C(SC[6a]OO)(CC[6a]Se)(H)	C(C[6a]C[6a]2)(SeC[6a])(CHS)	C[6a](C[6a]C[6a]H)2(CSeC){1|C<3>,2|H<1>}	C(SC[6a]OO)(CC[6a]Se)(H)	129.6460	0.000	1	129.6460	0.000	1	128.8815	1.169	2	127.5330	6.040	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	4:3:3:	C[6a]-3:Se-2:C-3:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:C-3:	C(C[6a]C[6a]2)(SeC[6a])(CCS)	C[6a](C[6a]C[6a]H)2(CSeC)	C(SC[6a]OO)(CC[6a]Se)(COO)	C(C[6a]C[6a]2)(SeC[6a])(CCS)	C[6a](C[6a]C[6a]H)2(CSeC){1|C<3>,2|H<1>}	C(SC[6a]OO)(CC[6a]Se)(COO)	125.2260	0.000	2	125.2260	0.000	2	125.2260	0.000	2	125.2260	0.000	2	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:2:3:	3:3:3:	4:3:4:	C[6a]-3:Se-2:C-3:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:C-4:	C(C[6a]C[6a]2)(SeC[6a])(CCS)	C[6a](C[6a]C[6a]H)2(CSeC)	C(SC[6a]OO)(CC[6a]Se)(CCHH)	C(C[6a]C[6a]2)(SeC[6a])(CCS)	C[6a](C[6a]C[6a]H)2(CSeC){1|C<3>,2|H<1>}	C(SC[6a]OO)(CC[6a]Se)(CCHH)	127.8570	0.000	1	127.8570	0.000	1	127.8570	0.000	1	127.8570	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	2:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]N[6a]2)(CC[6a]H)(H)	C[6a](N[6a]C[6a])2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]N[6a]2)(CC[6a]H)(H)	C[6a](N[6a]C[6a])2(CCH){1|N<2>,2|C<4>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	123.6610	0.000	1	123.6610	0.000	1	123.6610	0.000	1	124.9453	1.928	4	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	2:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:O[6a]-2:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]N[6a]O[6a])(CC[5a]H)(H)	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CCH)	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	C(C[6a]N[6a]O[6a])(CC[5a]H)(H)	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CCH){1|O<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	125.5210	0.000	1	125.5210	0.000	1	125.5210	0.000	1	124.9453	1.928	4	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	2:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:O[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]N[6a]O[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]N[6a]O[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(O[6a]C[6a])(CCH){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.2995	1.884	2	125.2995	3.551	2	125.2995	3.551	2	124.9453	1.928	4	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C-3:Cl-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:Cl-1:	C(C[6a]C[6a]N[6a])(CC[6a]Cl)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CClC)	C(C[6a]C[6a]N[6a])(CC[6a]Cl)(Cl)	C(C[6a]C[6a]N[6a])(CC[6a]Cl)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CClC){2|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]Cl)(Cl)	125.0230	1.055	2	125.0230	1.113	2	125.0230	1.113	2	125.2616	2.678	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:Cl-1:	C(C[6a]C[6a]N[6a])(CC[6a]Cl)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(Cl)	C(C[6a]C[6a]N[6a])(CC[6a]Cl)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(Cl)	132.5390	0.000	1	132.5390	0.000	1	132.5390	0.000	1	125.2616	2.678	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.4110	0.000	1	125.4110	0.000	1	125.0827	1.397	38	125.2616	2.678	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH){3|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	123.7410	0.000	1	123.7410	0.000	1	125.0827	1.397	38	125.2616	2.678	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	125.7720	0.000	1	125.7720	0.000	1	125.0827	1.397	38	125.2616	2.678	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.3180	0.000	1	125.1876	1.547	29	125.0827	1.397	38	125.2616	2.678	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.1830	1.266	28	125.1876	1.547	29	125.0827	1.397	38	125.2616	2.678	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	126.0360	0.000	1	124.9173	1.649	3	125.0827	1.397	38	125.2616	2.678	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	124.3580	1.192	2	124.9173	1.649	3	125.0827	1.397	38	125.2616	2.678	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CCH){2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	124.5660	0.000	1	124.5660	0.000	1	125.0827	1.397	38	125.2616	2.678	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CCH){2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	124.2295	0.769	2	124.2295	0.591	2	125.0827	1.397	38	125.2616	2.678	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]N[6a])(CCN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CCH)	C(CC[6a]H)(COO)(NCH)	C(C[6a]C[6a]N[6a])(CCN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CCH){2|C<3>}	C(CC[6a]H)(COO)(NCH)	124.6690	0.000	1	124.6690	0.000	1	124.6690	0.000	1	125.9367	2.315	7	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:N-3:C-3:	C(C[6a]C[6a]N[6a])(CCN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CCH)	C(CC[6a]H)(NC[6a]H)(COO)	C(C[6a]C[6a]N[6a])(CCN)(H)	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CCH){2|C<3>}	C(CC[6a]H)(NC[6a]H)(COO)	124.4420	0.653	2	124.4420	0.427	2	124.4420	0.427	2	125.9367	2.315	7	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	127.0885	1.510	2	127.0885	2.279	2	127.0010	0.952	4	125.9367	2.315	7	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	127.4360	0.000	1	127.4360	0.000	1	127.0010	0.952	4	125.9367	2.315	7	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(NC[6a]H)	126.3910	0.000	1	126.3910	0.000	1	127.0010	0.952	4	125.9367	2.315	7	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	2:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	O[6a]-2:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]O[6a])(CCH)(H)	C[6a](O[6a]C[5,6a])(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CH3)(H)	C(C[6a]C[6a]O[6a])(CCH)(H)	C[6a](O[6a]C[5,6a])(C[6a]C[6a]O)(CCH){1|O<1>,2|C<3>}	C(CC[6a]H)(CH3)(H)	125.0125	0.370	2	125.0125	0.137	2	125.0125	0.137	2	125.0125	0.137	2	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	2:3:3:	3:4:4:	C[6a]-3:C-3:Cl-1:	N[6a]-2:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(CCC)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CClC)	C(CC[6a]Cl)(CH3)2	C(C[6a]C[6a]N[6a])(CCC)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CClC){1|H<1>,2|C<3>}	C(CC[6a]Cl)(CH3)2	126.7900	0.000	1	126.7900	0.000	1	126.7900	0.000	1	128.7255	7.492	2	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	2:3:3:	3:4:4:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]N[6a])(CCC)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CH3)2	C(C[6a]C[6a]N[6a])(CCC)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(CH3)2	130.6610	0.000	1	130.6610	0.000	1	130.6610	0.000	1	128.7255	7.492	2	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	2:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[5]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCH)	C(C[5]C[5]2Fe)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[5]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(CCH){2|C<3>}	C(C[5]C[5]2Fe)(CC[6a]H)(H)	122.2960	0.764	2	122.2960	0.583	2	122.2960	0.583	2	122.2960	0.583	2	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[5a,6a]N[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[5a,6a]N[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(CCH){1|N<2>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	122.5860	0.000	1	122.5860	0.000	1	122.5860	0.000	1	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]N[6a])(CCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CNO)(H)	126.2550	0.904	3	126.2550	0.817	3	125.9925	0.820	4	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C(CC[6a]H)(CN[5]O)(H)	C(C[6a]C[6a]N[6a])(CCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CN[5]O)(H)	125.2050	0.000	1	125.2050	0.000	1	125.9925	0.820	4	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:F-1:	C(C[6a]C[6a]N[6a])(CFN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C(CC[6a]H)(NCS)(F)	C(C[6a]C[6a]N[6a])(CFN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NCS)(F)	128.5110	0.000	1	128.5110	0.000	1	128.5110	0.000	1	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(CHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C(CC[6a]H)(NCC)(H)	C(C[6a]C[6a]N[6a])(CHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(NCC)(H)	121.8480	0.000	1	121.8480	0.000	1	121.3235	0.550	2	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(CHN)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CCH)	C(CC[6a]H)(NCC)(H)	C(C[6a]C[6a]N[6a])(CHN)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(NCC)(H)	120.7990	0.000	1	120.7990	0.000	1	121.3235	0.550	2	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C(C[5a]C[5a,6a]N[5a])(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(CC[6a]H)(H)	125.5680	0.940	2	125.5680	0.884	2	125.5680	0.884	2	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	125.4700	1.423	2	125.4031	0.837	9	126.4334	13.949	11	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|N<2>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	125.3840	0.881	7	125.4031	0.837	9	126.4334	13.949	11	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	131.0695	8.958	2	131.0695	80.252	2	126.4334	13.949	11	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	124.0030	0.000	1	123.9920	0.000	2	125.1146	2.756	70	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCH){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	123.9810	0.000	1	123.9920	0.000	2	125.1146	2.756	70	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	124.3235	1.003	2	124.3235	1.007	2	125.1146	2.756	70	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|N<2>,1|S<2>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	123.8018	0.916	6	125.1800	3.911	41	125.1146	2.756	70	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.6523	2.003	29	125.1800	3.911	41	125.1146	2.756	70	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	123.6530	0.000	1	125.1800	3.911	41	125.1146	2.756	70	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	123.7770	0.000	1	125.1800	3.911	41	125.1146	2.756	70	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){2|Cl<1>,1|N<2>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	124.5555	2.322	4	125.1800	3.911	41	125.1146	2.756	70	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	124.4270	0.738	2	125.6849	0.911	16	125.1146	2.756	70	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	125.8646	0.855	14	125.6849	0.911	16	125.1146	2.756	70	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.1990	0.000	1	125.1990	0.000	1	125.1146	2.756	70	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(CCH){1|N<2>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	124.2560	0.000	1	124.2560	0.000	1	125.1146	2.756	70	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	123.5470	0.000	1	124.1407	0.309	3	125.1146	2.756	70	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CCH){2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	124.4375	0.298	2	124.1407	0.309	3	125.1146	2.756	70	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	124.0433	0.599	4	124.0433	0.358	4	125.1146	2.756	70	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	N[5]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CN[5]H)(H)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CCH)	C(N[5]C[5]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CN[5]H)(H)	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(CCH){4|C<3>}	C(N[5]C[5]2)(CC[6a]H)(H)	120.5980	0.000	1	120.5980	0.000	1	120.5980	0.000	1	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:O[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]O[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]O[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCH){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.3030	0.000	1	125.1792	0.782	4	125.1792	0.782	4	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:O[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]O[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]O[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCH){1|C<3>,1|O<1>,1|S<2>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	124.1300	0.000	1	125.1792	0.782	4	125.1792	0.782	4	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:O[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]O[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]O[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCH){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.6420	0.895	2	125.1792	0.782	4	125.1792	0.782	4	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<2>,1|C<3>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	117.3870	0.000	1	117.7791	1.447	10	118.2705	1.624	17	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	117.5013	1.147	7	117.7791	1.447	10	118.2705	1.624	17	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|H<1>,2|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	118.9475	1.305	2	117.7791	1.447	10	118.2705	1.624	17	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCH)(H)	118.7035	0.247	2	118.7035	0.061	2	118.2705	1.624	17	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(CC[6a]O)(CC[5]H)(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CC[5]H)(H)	118.4907	0.330	3	118.4907	0.109	3	118.2705	1.624	17	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CHN)(H)	118.5490	0.000	1	118.5490	0.000	1	118.2705	1.624	17	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	121.3800	0.000	1	121.3800	0.000	1	118.2705	1.624	17	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]N[6a])(CNO)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(CC[6a]O)(NC[6a]2)(O)	C(C[6a]C[6a]N[6a])(CNO)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]O)(NC[6a]2)(O)	115.7160	0.000	1	115.7160	0.000	1	115.7160	0.000	1	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:Se-1:	C(C[6a]C[6a]N[6a])(CSeN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(CC[6a]O)(NCC)(Se)	C(C[6a]C[6a]N[6a])(CSeN)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NCC)(Se)	117.5520	0.000	1	117.5520	0.000	1	117.5520	0.000	1	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]N[6a])(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C(C[6a]C[6a]N[6a])(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(O)	117.2820	0.000	1	117.2820	0.000	1	117.2820	0.000	1	123.9664	11.320	116	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(OH)	C(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(OH)	123.6920	0.000	1	123.6920	0.000	1	123.6920	0.000	1	123.6920	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C-3:Cl-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(CC[6a]2)(Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClC)	C(C[6a]C[6a]2)2(CC[6a]Cl)	C(C[6a]C[6a]N[6a])(CC[6a]2)(Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClC){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]Cl)	126.4810	0.000	1	126.4810	0.000	1	126.4810	0.000	1	127.5756	19.766	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]N[6a])(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C(C[6a]C[6a]N[6a])(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(COO)	127.3980	0.000	1	127.3980	0.000	1	127.3980	0.000	1	127.5756	19.766	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C(C[6a]C[6a]2)2(CC[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)2(CC[6a]H)	129.2540	1.269	2	129.0380	0.599	4	129.2899	2.590	8	127.5756	19.766	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C(C[6a]C[6a]2)2(CC[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]H)	128.8220	0.030	2	129.0380	0.599	4	129.2899	2.590	8	127.5756	19.766	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CCH)	C(C[6a]C[6a]2)2(CC[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(CCH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)2(CC[6a]H)	129.0015	3.426	2	129.0015	11.737	2	129.2899	2.590	8	127.5756	19.766	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH)	C(C[6a]C[6a]2)2(CC[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)2(CC[6a]H)	130.0820	1.708	2	130.0820	2.919	2	129.2899	2.590	8	127.5756	19.766	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-3:C-3:N-3:	C(C[6a]C[6a]N[6a])(CC[6]N)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(C[6]C[6]N[6])(CC[6a]O)(NCuO)	C(C[6a]C[6a]N[6a])(CC[6]N)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]O)(NCuO)	115.1340	0.000	1	115.1340	0.000	1	115.1340	0.000	1	127.5756	19.766	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]N[6a])(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C(C[6a]C[6a]N[6a])(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	130.2630	0.000	1	130.2630	0.000	1	130.2630	0.000	1	130.2630	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:I-1:	C[6a]-3:O[6a]-2:C-3:	C-3:C-4:I-1:	C(C[6a]C[6a]O[6a])(CCI)(I)	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(CCI)	C(CC[6a]I)(CHHO)(I)	C(C[6a]C[6a]O[6a])(CCI)(I)	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(CCI){1|O<1>,2|C<3>}	C(CC[6a]I)(CHHO)(I)	125.9150	0.000	1	125.9150	0.000	1	125.9150	0.000	1	125.9150	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:2:3:	3:4:3:	C[6a]-3:C-3:H-1:	N[6a,6a]-3:N[6a]-2:C-3:	C-3:C-4:N-3:	C(C[6a]N[6a,6a]N[6a])(CCN)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH)	C(CC[6a]H)(CH3)(NCC)	C(C[6a]N[6a,6a]N[6a])(CCN)(H)	C[6a](N[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CCH){1|C<3>,1|N<3>,1|O<1>,2|N<2>}	C(CC[6a]H)(CH3)(NCC)	125.9030	0.000	1	125.9030	0.000	1	125.9030	0.000	1	125.9030	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(Cl)	C[6a](C[6a]C[6a]O)2(CClC)	C(CC[6a]Cl)(H)2	C(C[6a]C[6a]2)(CHH)(Cl)	C[6a](C[6a]C[6a]O)2(CClC){1|H<1>,2|C<3>}	C(CC[6a]Cl)(H)2	124.8890	0.000	1	124.8890	0.000	1	124.8890	0.000	1	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:I-1:	C(C[6a]C[6a]2)(CHI)(Cl)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CClC)	C(CC[6a]Cl)(H)(I)	C(C[6a]C[6a]2)(CHI)(Cl)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CClC){1|H<1>,4|C<3>}	C(CC[6a]Cl)(H)(I)	127.3670	0.711	2	127.3670	0.506	2	127.3670	0.506	2	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a,6a]C[6,6a])(CHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CCH)	C(CC[6a]H)(H)2	C(C[6a]C[6a,6a]C[6,6a])(CHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CCH){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C(CC[6a]H)(H)2	125.2405	0.203	2	125.2405	0.041	2	125.2405	0.041	2	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a,6a]2)(CHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(CC[6a]H)(H)2	C(C[6a]C[6a,6a]2)(CHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(CC[6a]H)(H)2	125.6840	1.243	3	125.6840	1.545	3	125.6840	1.545	3	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:Cl-1:Cl-1:	C(C[6a]C[6a,6a]C[6a])(CCl2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH)	C(CC[6a]H)(Cl)2	C(C[6a]C[6a,6a]C[6a])(CCl2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH){2|H<1>,3|C<3>}	C(CC[6a]H)(Cl)2	125.9620	0.000	1	125.9620	0.000	1	125.9620	0.000	1	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:Br-1:Br-1:	C(C[6a]C[6a]2)(CBr2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(Br)2	C(C[6a]C[6a]2)(CBr2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]H)(Br)2	127.7990	0.000	1	127.7990	0.000	1	128.0482	5.741	4	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:Br-1:Br-1:	C(C[6a]C[6a]2)(CBr2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(Br)2	C(C[6a]C[6a]2)(CBr2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(Br)2	128.7790	3.824	2	128.1313	8.570	3	128.0482	5.741	4	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:Br-1:Br-1:	C(C[6a]C[6a]2)(CBr2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(Br)2	C(C[6a]C[6a]2)(CBr2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	C(CC[6a]H)(Br)2	126.8360	0.000	1	128.1313	8.570	3	128.0482	5.741	4	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:Cl-1:H-1:	C(C[6a]C[6a]2)(CClH)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(Cl)(H)	C(C[6a]C[6a]2)(CClH)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,4|C<3>}	C(CC[6a]H)(Cl)(H)	124.7000	0.000	1	124.7000	0.000	1	124.7000	0.000	1	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(H)2	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|B<4>,1|C<3>,1|H<1>}	C(CC[6a]H)(H)2	127.7420	0.000	1	127.7420	0.000	1	127.3031	6.528	82	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH)	C(CC[6a]H)(H)2	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH){1|C<2>,4|C<3>}	C(CC[6a]H)(H)2	126.6540	0.000	1	126.6540	0.000	1	127.3031	6.528	82	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(H)2	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]H)(H)2	127.3770	0.000	1	128.2430	1.372	3	127.3031	6.528	82	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(H)2	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(H)2	128.6760	1.273	2	128.2430	1.372	3	127.3031	6.528	82	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(H)2	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(CCH){2|C<3>,2|C<4>,2|H<1>}	C(CC[6a]H)(H)2	126.7747	1.539	4	126.7747	2.367	4	127.3031	6.528	82	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(H)2	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(CC[6a]H)(H)2	124.4990	0.000	1	124.4990	0.000	1	127.3031	6.528	82	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(H)2	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(H)2	125.7705	0.247	2	125.7705	0.061	2	127.3031	6.528	82	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(H)2	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|B<4>,1|C<3>,1|H<1>}	C(CC[6a]H)(H)2	126.2910	0.058	2	127.3798	7.268	70	127.3031	6.528	82	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(H)2	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]H)(H)2	127.6535	1.441	6	127.3798	7.268	70	127.3031	6.528	82	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(H)2	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(H)2	127.3932	2.985	54	127.3798	7.268	70	127.3031	6.528	82	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(H)2	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(H)2	128.3183	1.508	4	127.3798	7.268	70	127.3031	6.528	82	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(H)2	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|C<3>}	C(CC[6a]H)(H)2	125.4800	0.000	1	127.3798	7.268	70	127.3031	6.528	82	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(H)2	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|H<1>}	C(CC[6a]H)(H)2	126.3520	0.000	2	127.3798	7.268	70	127.3031	6.528	82	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(H)2	C(C[6a]C[6a]2)(CHH)(H)	C[6a](C[6a]C[6a]H)2(CCH){3|C<3>}	C(CC[6a]H)(H)2	127.3920	0.000	1	127.3798	7.268	70	127.3031	6.528	82	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:I-1:	C(C[6a]C[6a]2)(CHI)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(H)(I)	C(C[6a]C[6a]2)(CHI)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]H)(H)(I)	127.8940	0.000	1	127.8940	0.000	1	126.1735	1.779	6	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:I-1:	C(C[6a]C[6a]2)(CHI)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(H)(I)	C(C[6a]C[6a]2)(CHI)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(H)(I)	125.8294	1.155	5	125.8294	1.335	5	126.1735	1.779	6	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:O-1:	C(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(H)(O)	C(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(H)(O)	114.5680	0.000	1	114.5680	0.000	1	114.5680	0.000	1	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:N-1:	C(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]F)2(CCH)	C(CC[6a]H)(N)2	C(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	C(CC[6a]H)(N)2	116.5120	0.000	1	116.5120	0.000	1	116.5120	0.000	1	126.8941	8.353	104	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(CCH)(Cl)	C[6a](C[6a]C[6a]H)2(CClC)	C(CC[6a]Cl)(CN)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	C[6a](C[6a]C[6a]H)2(CClC){1|C<3>,2|H<1>}	C(CC[6a]Cl)(CN)(H)	126.8310	0.000	1	126.8310	0.000	1	126.8310	0.000	1	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:F-1:	C(C[6a]C[6a]2)(CFN)(F)	C[6a](C[6a]C[6a]F)2(CCF)	C(CC[6a]F)(NC)(F)	C(C[6a]C[6a]2)(CFN)(F)	C[6a](C[6a]C[6a]F)2(CCF){1|C<3>,2|F<1>}	C(CC[6a]F)(NC)(F)	127.4830	0.000	1	127.4830	0.000	1	127.4830	0.000	1	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(CHO)(F)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCF)	C(CC[6a]F)(OS)(H)	C(C[6a]C[6a]2)(CHO)(F)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCF){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C(CC[6a]F)(OS)(H)	125.6700	0.000	1	125.6700	0.000	1	125.6700	0.000	1	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CCH)	C(CC[6a]H)(CN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CCH){2|C<3>}	C(CC[6a]H)(CN)(H)	127.7440	0.000	1	127.7440	0.000	1	126.7041	3.334	8	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC)(H)	126.2170	0.000	1	126.2170	0.000	1	126.7041	3.334	8	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CN)(H)	127.1993	1.730	4	127.1993	2.994	4	126.7041	3.334	8	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COs)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COs)(H)	125.4375	2.975	2	125.4375	8.849	2	126.7041	3.334	8	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(NC)(H)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NC)(H)	129.3820	2.249	2	129.3820	5.056	2	128.4020	5.409	3	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(NS)(H)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NS)(H)	126.4420	0.000	1	126.4420	0.000	1	128.4020	5.409	3	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(OC)(H)	C(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]H)(OC)(H)	129.4850	0.000	1	129.4850	0.000	1	129.6495	0.054	2	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(OP)(H)	C(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(OP)(H)	129.8140	0.000	1	129.8140	0.000	1	129.6495	0.054	2	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:Br-1:	C(C[6a]C[6a]2)(CBrS)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(SC[6a])(Br)	C(C[6a]C[6a]2)(CBrS)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(SC[6a])(Br)	132.1280	0.000	1	132.1280	0.000	1	132.1280	0.000	1	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:H-1:	C(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(SC)(H)	C(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(SC)(H)	126.6750	0.000	1	126.6750	0.000	1	126.6750	0.000	1	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:I-1:	C(C[6a]C[6a]2)(CCI)(I)	C[6a](C[6a]C[6a]H)2(CCI)	C(CC[6a]I)(CC)(I)	C(C[6a]C[6a]2)(CCI)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	C(CC[6a]I)(CC)(I)	128.2220	0.815	2	128.2220	0.664	2	128.2220	0.664	2	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:Se-2:H-1:	C(C[6a]C[6a]2)(CSeH)(I)	C[6a](C[6a]C[6a]H)2(CCI)	C(CC[6a]I)(SeC[6a])(H)	C(C[6a]C[6a]2)(CSeH)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	C(CC[6a]I)(SeC[6a])(H)	128.3190	0.000	1	128.3190	0.000	1	128.3190	0.000	1	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a,6a]C[6a])(COO)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(OC)(O)	C(C[6a]C[6a,6a]C[6a])(COO)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	C(CC[6a]O)(OC)(O)	117.7830	0.000	1	117.7830	0.000	1	117.7830	0.000	1	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CN)(H)	119.3140	0.000	1	119.3140	0.000	1	119.3140	0.000	1	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(CHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(CC[6a]O)(NN)(H)	C(C[6a]C[6a]2)(CHN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NN)(H)	118.1910	0.000	1	118.1910	0.000	1	119.1658	3.805	4	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(CHN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NN)(H)	C(C[6a]C[6a]2)(CHN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NN)(H)	117.6200	0.000	1	117.6200	0.000	1	119.1658	3.805	4	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(CHN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NO)(H)	C(C[6a]C[6a]2)(CHN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]O)(NO)(H)	121.9910	0.000	1	120.4260	4.898	2	119.1658	3.805	4	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(CHN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NO)(H)	C(C[6a]C[6a]2)(CHN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NO)(H)	118.8610	0.000	1	120.4260	4.898	2	119.1658	3.805	4	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:O-1:	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NS)(O)	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NS)(O)	119.2520	0.000	1	119.2520	0.000	1	119.2520	0.000	1	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CCO)	C(CC[6a]O)(OC)(O)	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CCO){2|C<3>}	C(CC[6a]O)(OC)(O)	116.4160	0.000	1	116.4160	0.000	1	118.2485	2.496	13	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(OC)(O)	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(OC)(O)	117.0440	0.000	1	117.0440	0.000	1	118.2485	2.496	13	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(CC[6a]O)(OC)(O)	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(OC)(O)	117.7650	2.642	2	117.7650	6.979	2	118.2485	2.496	13	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(OC)(O)	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]O)(OC)(O)	119.0620	0.000	1	119.4030	0.118	3	118.2485	2.496	13	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(OC)(O)	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]O)(OC)(O)	119.7500	0.000	1	119.4030	0.118	3	118.2485	2.496	13	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(OC)(O)	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(OC)(O)	119.3970	0.000	1	119.4030	0.118	3	118.2485	2.496	13	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(OC[6])(O)	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(OC[6])(O)	117.3080	0.000	1	117.3080	0.000	1	118.2485	2.496	13	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(OH)(O)	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(OH)(O)	119.5707	1.200	3	119.5707	1.441	3	118.2485	2.496	13	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(OC)(O)	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO){1|C<3>,2|C<4>,2|H<1>}	C(CC[6a]O)(OC)(O)	117.0060	1.170	2	117.0060	1.368	2	118.2485	2.496	13	123.2178	24.719	41	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[5,6a]C[6a])(CCC)(H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CN)2	C(C[6a]C[5,6a]C[6a])(CCC)(H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCH){1|C<4>,1|H<1>,3|C<3>}	C(CC[6a]H)(CN)2	126.1470	0.000	1	126.1470	0.000	1	126.1470	0.000	1	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[5a,6a]C[6a])(CCC)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CN)2	C(C[6a]C[5a,6a]C[6a])(CCC)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C(CC[6a]H)(CN)2	128.5370	0.000	2	128.5370	0.000	2	128.5370	0.000	2	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a,6a]2)(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(CC[6a]H)(CN)2	C(C[6a]C[6a,6a]2)(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(CC[6a]H)(CN)2	128.4347	1.719	3	128.4347	2.954	3	128.4347	2.954	3	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CN)2	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,1|N<3>,3|C<3>}	C(CC[6a]H)(CN)2	126.1535	2.819	2	126.1535	7.948	2	124.2698	5.769	14	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CN)2	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,1|N<3>,3|C<3>}	C(CC[6a]H)(CN)2	122.9766	2.162	8	123.9558	5.342	12	124.2698	5.769	14	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CN)2	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,1|O<2>,3|C<3>}	C(CC[6a]H)(CN)2	125.6585	1.662	2	123.9558	5.342	12	124.2698	5.769	14	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CN)2	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(CC[6a]H)(CN)2	126.1700	0.000	2	123.9558	5.342	12	124.2698	5.769	14	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(CN)2	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CN)2	126.9120	0.000	1	126.9120	0.000	1	130.6177	2.297	57	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CN)2	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]H)(CN)2	132.3790	0.000	1	131.9925	0.299	2	130.6177	2.297	57	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CN)2	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(CN)2	131.6060	0.000	1	131.9925	0.299	2	130.6177	2.297	57	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6,6a]H)2(CCH)	C(CC[6a]H)(CN)2	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6,6a]H)2(CCH){1|C<3>,2|C<4>}	C(CC[6a]H)(CN)2	131.6070	0.000	1	131.6070	0.000	1	130.6177	2.297	57	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CN)2	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CCH){3|C<3>}	C(CC[6a]H)(CN)2	129.5501	1.585	8	129.5501	2.512	8	130.6177	2.297	57	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CN)2	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|H<1>,4|C<3>}	C(CC[6a]H)(CN)2	127.2520	0.000	1	127.2520	0.000	1	130.6177	2.297	57	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(CCH)	C(CC[6a]H)(CN)2	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(CCH){1|C<3>,2|C<4>}	C(CC[6a]H)(CN)2	125.6470	0.000	1	125.6470	0.000	1	130.6177	2.297	57	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CN)2	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CN)2	130.7929	0.585	9	130.7929	0.343	9	130.6177	2.297	57	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CN)2	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CN)2	131.0060	0.635	2	130.9864	1.090	31	130.6177	2.297	57	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CN)2	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CN)2	130.9850	1.074	29	130.9864	1.090	31	130.6177	2.297	57	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]N[6a]H)2(CCH)	C(CC[6a]H)(CN)2	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]N[6a]H)2(CCH){1|C<3>}	C(CC[6a]H)(CN)2	130.8450	0.000	1	130.8450	0.000	1	130.6177	2.297	57	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]N[6a]N[6])2(CCH)	C(CC[6a]H)(CN)2	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]N[6a]N[6])2(CCH){1|C<3>,4|C<4>}	C(CC[6a]H)(CN)2	132.4245	0.763	2	132.4245	0.582	2	130.6177	2.297	57	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:N-2:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CN)(NC)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CN)(NC)	128.3280	0.000	1	128.3280	0.000	1	129.2910	0.703	3	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:N-2:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CN)(NC)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CN)(NC)	129.8610	0.000	1	129.7725	0.016	2	129.2910	0.703	3	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:N-2:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CN)(NC)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CN)(NC)	129.6840	0.000	1	129.7725	0.016	2	129.2910	0.703	3	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:C-2:	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(OC[5])(CC)	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(OC[5])(CC)	130.0020	0.000	1	130.0020	0.000	1	130.4265	0.360	2	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:C-2:	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(OC[6])(CC)	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(OC[6])(CC)	130.8510	0.000	1	130.8510	0.000	1	130.4265	0.360	2	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-2:	C(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(OC[6a])2	C(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|F<1>,1|H<1>,3|C<3>}	C(CC[6a]H)(OC[6a])2	123.4510	0.204	2	123.4510	0.041	2	123.7317	0.257	3	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-2:	C(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(OC[6a])2	C(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(OC[6a])2	124.2930	0.000	1	124.2930	0.000	1	123.7317	0.257	3	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CN)2	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CN)2	123.7130	0.000	1	123.7130	0.000	1	123.7130	0.000	1	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:N-2:	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CN)(NN)	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CN)(NN)	121.9425	1.012	2	121.9425	1.024	2	121.0917	2.684	3	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:N-2:	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CN)(NO)	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CN)(NO)	119.3900	0.000	1	119.3900	0.000	1	121.0917	2.684	3	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:N-2:	C(C[6a]C[6a]2)(CNN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NC[6a])(NO)	C(C[6a]C[6a]2)(CNN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a])(NO)	119.0310	0.000	1	119.0310	0.000	1	119.0310	0.000	1	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-2:	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]2)2(CCO)	C(CC[6a]O)(OFe)2	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]2)2(CCO){2|H<1>,5|C<3>}	C(CC[6a]O)(OFe)2	119.3200	0.000	1	119.3200	0.000	1	117.8919	0.470	15	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-2:	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(OCu)2	C(C[6a]C[6a]2)(COO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(OCu)2	117.7899	0.582	14	117.7899	0.338	14	117.8919	0.470	15	127.1222	24.797	105	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:C-3:	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(OC[6a])(COO)	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(OC[6a])(COO)	130.2180	0.000	1	130.2180	0.000	1	130.2180	0.000	1	121.9788	19.811	8	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:C-3:	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(SC[6a])(CCC)	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(SC[6a])(CCC)	127.1680	0.000	1	127.1680	0.000	1	127.1680	0.000	1	121.9788	19.811	8	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:I-2:C-3:	C(C[6a]C[6a]2)(CCI)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(IC[6a])(COO)	C(C[6a]C[6a]2)(CCI)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(IC[6a])(COO)	121.8760	0.000	1	121.8760	0.000	1	121.8760	0.000	1	121.9788	19.811	8	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:C-3:	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NC[6a])(CCO)	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a])(CCO)	117.9510	0.000	1	117.9510	0.000	1	117.9510	0.000	1	121.9788	19.811	8	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:C-3:	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(SC[5a])(CCH)	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(SC[5a])(CCH)	119.6080	0.000	1	119.6080	0.000	1	119.5767	2.973	3	121.9788	19.811	8	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:C-3:	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(SC[6a])(CHN)	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(SC[6a])(CHN)	121.2850	0.000	1	121.2850	0.000	1	119.5767	2.973	3	121.9788	19.811	8	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:C-3:	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(SC[6a])(CHS)	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(SC[6a])(CHS)	117.8370	0.000	1	117.8370	0.000	1	119.5767	2.973	3	121.9788	19.811	8	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:Se-2:C-3:	C(C[6a]C[6a]2)(CSeC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(SeC[6a])(CCC)	C(C[6a]C[6a]2)(CSeC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(SeC[6a])(CCC)	119.8870	0.000	1	119.8870	0.000	1	119.8870	0.000	1	121.9788	19.811	8	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:C-4:	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(OC[5])(CCHH)	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(OC[5])(CCHH)	133.6520	0.000	1	133.6520	0.000	1	133.6520	0.000	1	127.7562	22.446	4	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:C-4:	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(SC[5a])(CCHH)	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(SC[5a])(CCHH)	127.8930	0.000	1	127.8930	0.000	1	127.6565	0.112	2	127.7562	22.446	4	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:C-4:	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(SC[6a])(CHHN)	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(SC[6a])(CHHN)	127.4200	0.000	1	127.4200	0.000	1	127.6565	0.112	2	127.7562	22.446	4	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:2:4:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:C-4:	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NC[6a])(CH3)	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a])(CH3)	122.0600	0.000	1	122.0600	0.000	1	122.0600	0.000	1	127.7562	22.446	4	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(Br)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CBrC)	C(CC[6a]Br)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(Br)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CBrC){1|C<3>,2|H<1>}	C(CC[6a]Br)(CCH)(H)	128.1255	0.446	2	128.1255	0.199	2	126.2360	3.244	5	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	C(CC[6a]Br)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	C(CC[6a]Br)(CCH)(H)	125.0785	0.902	2	125.0785	0.813	2	126.2360	3.244	5	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	C(CC[6a]Br)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	C(CC[6a]Br)(CC[6a]O)(H)	124.7720	0.000	1	124.7720	0.000	1	126.2360	3.244	5	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:Br-1:	C(C[6a]C[6a]2)(CBrN)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	C(CC[6a]Br)(NCS)(Br)	C(C[6a]C[6a]2)(CBrN)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	C(CC[6a]Br)(NCS)(Br)	127.1340	0.000	1	127.1340	0.000	1	127.1340	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:Br-1:	C(C[6a]C[6a]2)(CC[6]Br)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	C(C[6]C[6]2)(CC[6a]Br)(Br)	C(C[6a]C[6a]2)(CC[6]Br)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]Br)(Br)	126.7690	0.000	2	126.7690	0.000	2	126.7690	0.000	2	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	C(C[6]C[6]N[6])(CC[6a]Br)(H)	C(C[6a]C[6a]2)(CC[6]H)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]Br)(H)	123.9640	0.000	1	123.9640	0.000	1	123.9640	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Br-1:	C(C[6a]C[6a]2)(CC[6a]Br)(Br)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CBrC)	C(C[6a]C[6a]2)(CC[6a]Br)(Br)	C(C[6a]C[6a]2)(CC[6a]Br)(Br)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CBrC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]Br)(Br)	123.6410	0.000	2	123.6410	0.000	2	127.8161	39.477	9	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Br-1:	C(C[6a]C[6a]2)(CC[6a]Br)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	C(C[6a]C[6a]2)(CC[6a]Br)(Br)	C(C[6a]C[6a]2)(CC[6a]Br)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]Br)(Br)	129.0090	6.720	7	129.0090	45.165	7	127.8161	39.477	9	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CClC)	C(CC[6a]Cl)(CHO)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CClC){1|H<1>,2|C<3>}	C(CC[6a]Cl)(CHO)(H)	126.5540	0.000	1	126.5540	0.000	1	125.4619	3.800	8	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(Cl)	C[6a](C[6a]C[6a]H)2(CClC)	C(CC[6a]Cl)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	C[6a](C[6a]C[6a]H)2(CClC){1|C<3>,2|H<1>}	C(CC[6a]Cl)(CCH)(H)	127.6870	2.288	2	127.6870	5.236	2	125.4619	3.800	8	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(Cl)	C[6a](C[6a]C[6a]H)2(CClC)	C(CC[6a]Cl)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	C[6a](C[6a]C[6a]H)2(CClC){1|C<3>,2|H<1>}	C(CC[6a]Cl)(CCO)(H)	124.0280	0.000	1	124.0280	0.000	1	125.4619	3.800	8	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(Cl)	C[6a](C[6a]C[6a]H)2(CClC)	C(CC[6a]Cl)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	C[6a](C[6a]C[6a]H)2(CClC){1|C<3>,2|H<1>}	C(CC[6a]Cl)(CC[6a]O)(H)	123.6850	0.626	2	123.6850	0.392	2	125.4619	3.800	8	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(Cl)	C[6a](C[6a]C[6a]H)2(CClC)	C(CC[6a]Cl)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	C[6a](C[6a]C[6a]H)2(CClC){1|C<3>,2|H<1>}	C(CC[6a]Cl)(CNO)(H)	125.1845	1.163	2	125.1845	1.353	2	125.4619	3.800	8	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(Cl)	C[6a](C[6a]C[6a]H)2(CClC)	C(CC[6a]Cl)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(Cl)	C[6a](C[6a]C[6a]H)2(CClC){1|C<3>,2|H<1>}	C(CC[6a]Cl)(NOO)(H)	130.0910	0.000	1	130.0910	0.000	1	130.0910	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Cl-1:	C(C[6a]C[6a]2)(CC[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)2(CClC)	C(C[6a]C[6a]2)(CC[6a]Cl)(Cl)	C(C[6a]C[6a]2)(CC[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)2(CClC){2|Cl<1>,1|C<3>}	C(C[6a]C[6a]2)(CC[6a]Cl)(Cl)	125.5005	0.452	2	125.5005	0.204	2	125.5005	0.204	2	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CClC)	C(C[6a]C[6a]2)(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CC[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CClC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]Cl)(H)	125.4280	0.000	1	125.4280	0.000	1	124.4016	0.459	5	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(Cl)	C[6a](C[6a]C[6a]H)2(CClC)	C(C[6a]C[6a]2)(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CC[6a]H)(Cl)	C[6a](C[6a]C[6a]H)2(CClC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]Cl)(H)	124.2430	0.450	3	124.2430	0.202	3	124.4016	0.459	5	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(Cl)	C[6a](C[6a]C[6a]H)2(CClC)	C(C[6a]C[6a]N[6a])(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CC[6a]H)(Cl)	C[6a](C[6a]C[6a]H)2(CClC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]Cl)(H)	123.8510	0.000	1	123.8510	0.000	1	124.4016	0.459	5	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:D-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(D)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCD)	C(C[6a]C[6a]2)(CC[6a]D)(H)	C(C[6a]C[6a]2)(CC[6a]H)(D)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCD){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]D)(H)	126.5560	0.000	1	126.5560	0.000	1	126.5560	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:F-1:	C(C[6a]C[6a]2)(CCF)(F)	C[6a](C[6a]C[6a]H)2(CCF)	C(CC[6a]F)(CCF)(F)	C(C[6a]C[6a]2)(CCF)(F)	C[6a](C[6a]C[6a]H)2(CCF){1|C<3>,2|H<1>}	C(CC[6a]F)(CCF)(F)	131.3040	0.106	2	131.3040	0.011	2	131.3040	0.011	2	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(F)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCF)	C(C[6a]C[6a]2)(CC[6a]F)(H)	C(C[6a]C[6a]2)(CC[6a]H)(F)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCF){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]F)(H)	129.1330	0.000	1	129.1330	0.000	1	129.1330	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5,6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[5,6a]2)(CHN)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(CCH)	C(CC[6a]H)(NOO)(H)	C(C[6a]C[5,6a]2)(CHN)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(CCH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(CC[6a]H)(NOO)(H)	126.9310	0.000	1	126.9310	0.000	1	126.9310	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C(CC[6a]H)(COO)(H)	127.2810	0.000	1	125.5885	5.729	2	126.9670	1.646	8	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CCH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(CC[6a]H)(COO)(H)	123.8960	0.000	1	125.5885	5.729	2	126.9670	1.646	8	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(CC[6a]H)(COO)(H)	127.1660	0.000	1	127.1660	0.000	1	126.9670	1.646	8	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(CC[6a]H)(COO)(H)	127.7525	0.330	2	127.7525	0.109	2	126.9670	1.646	8	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C(CC[6a]H)(COO)(H)	126.9340	0.000	1	127.1000	0.055	2	126.9670	1.646	8	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>,2|C<4>}	C(CC[6a]H)(COO)(H)	127.2660	0.000	1	127.1000	0.055	2	126.9670	1.646	8	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CCH){1|C<3>,1|H<1>,2|C<4>}	C(CC[6a]H)(CCO)(H)	127.6880	0.000	1	127.6880	0.000	1	126.9670	1.646	8	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(CCH){1|C<3>,1|S<2>,2|C<4>,2|F<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	126.2460	0.000	1	125.1365	2.462	2	126.1253	2.233	9	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(CCH){2|C<3>,2|C<4>,2|F<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	124.0270	0.000	1	125.1365	2.462	2	126.1253	2.233	9	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	126.8040	0.000	1	126.4079	2.147	7	126.1253	2.233	9	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	126.3418	1.594	6	126.4079	2.147	7	126.1253	2.233	9	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[5a,6a]C[6a])(CCH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[5a,6a]C[6a])(CCH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	C(CC[6a]H)(COO)(H)	126.7410	0.000	1	126.7410	0.000	1	126.7410	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CCH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	122.7765	2.112	2	122.7765	4.461	2	126.9448	7.090	13	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH){2|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	126.4090	0.000	1	126.4090	0.000	1	126.9448	7.090	13	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	128.1175	0.088	2	127.8320	4.190	10	126.9448	7.090	13	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	127.7606	2.315	8	127.8320	4.190	10	126.9448	7.090	13	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6,6a]C[6a])(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6,6a]C[6a])(CCH)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CCH){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	C(CC[6a]H)(COO)(H)	125.3820	0.000	1	125.3820	0.000	1	125.3820	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6,6a]C[6,6a]B[6,6])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6,6a]C[6,6a]B[6,6])(C[6a]C[6a]H)(CCH){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6,6a]C[6a])(CC[6a]H)(H)	132.6873	0.352	3	132.6873	0.124	3	132.6873	0.124	3	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6,6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6,6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CCH){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	123.3680	0.000	1	123.3680	0.000	1	123.3680	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]N[6a,6a]C[6a])(CCH){2|H<1>,5|C<3>}	C(CC[6a]H)(COO)(H)	126.3070	0.000	1	126.3070	0.000	1	126.4610	3.286	28	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(CC[5a]O)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(CC[5a]O)(CC[6a]H)(H)	125.8948	1.065	4	125.8948	1.134	4	126.4610	3.286	28	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(CC[6a]H)(CCH)(H)	130.2090	0.000	1	130.2090	0.000	1	126.4610	3.286	28	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(CC[6a]H)(CCO)(H)	127.2355	1.959	2	127.2355	3.839	2	126.4610	3.286	28	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	126.5526	1.898	17	126.5526	3.604	17	126.4610	3.286	28	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(CC[6a]H)(COO)(H)	124.9820	0.528	3	124.9820	0.278	3	126.4610	3.286	28	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CC[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(C[5]C[5]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(C[5]C[5]2)(CC[6a]H)(H)	127.6160	0.000	1	127.6160	0.000	1	127.6160	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(C[5a]C[5a,6a]O[5a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(C[5a]C[5a,6a]O[5a])(CC[6a]H)(H)	127.6340	0.000	1	127.6340	0.000	1	126.1468	2.643	5	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	124.4275	0.718	2	124.4275	0.515	2	126.1468	2.643	5	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	127.2460	0.000	1	127.2460	0.000	1	126.1468	2.643	5	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(C[5a]N[5a]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[5a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(C[5a]N[5a]S[5a])(CC[6a]H)(H)	126.9990	0.000	1	126.9990	0.000	1	126.1468	2.643	5	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(C[6]C[6,6a]O[6])(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(C[6]C[6,6a]O[6])(CC[6a]H)(H)	126.9710	0.000	1	126.9710	0.000	1	126.4289	0.657	7	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(C[6]C[6]2)(CC[6a]H)(H)	126.5276	0.795	5	126.5276	0.632	5	126.4289	0.657	7	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	125.3930	0.000	1	125.3930	0.000	1	126.4289	0.657	7	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){1|N<2>,2|H<1>,4|C<3>}	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	124.0977	0.082	3	124.0977	0.007	3	125.7748	1.917	56	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	125.3760	0.000	1	125.3760	0.000	1	125.7748	1.917	56	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){1|H<1>,2|N<2>,4|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	124.8470	0.000	1	125.8581	1.950	50	125.7748	1.917	56	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.8788	1.403	49	125.8581	1.950	50	125.7748	1.917	56	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	126.4055	0.385	2	126.4055	0.149	2	125.7748	1.917	56	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(CCH){1|H<1>,4|C<3>}	C(CC[6a]H)(COO)(H)	126.0850	0.000	1	126.0850	0.000	1	126.7403	4.667	24	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	128.2602	0.387	4	128.2602	0.150	4	126.7403	4.667	24	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(CC[6a]H)(COO)(H)	127.2070	0.000	1	127.2070	0.000	1	126.7403	4.667	24	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(CCH){1|H<1>,4|C<3>}	C(CC[6a]H)(COO)(H)	125.0690	0.000	1	125.0690	0.000	1	126.7403	4.667	24	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(CC[6a]H)(COO)(H)	126.6040	0.000	1	126.3523	6.466	3	126.7403	4.667	24	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH){1|H<1>,4|C<3>}	C(CC[6a]H)(COO)(H)	128.7600	0.000	1	126.3523	6.466	3	126.7403	4.667	24	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH){2|H<1>,3|C<3>}	C(CC[6a]H)(COO)(H)	123.6930	0.000	1	126.3523	6.466	3	126.7403	4.667	24	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|N<2>,2|C<3>,2|H<1>}	C(CC[6a]H)(CCH)(H)	125.0920	0.000	1	125.8216	2.144	7	126.7403	4.667	24	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(CC[6a]H)(CCH)(H)	125.9432	1.565	6	125.8216	2.144	7	126.7403	4.667	24	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	127.1685	0.009	2	127.1685	0.000	2	126.7403	4.667	24	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,1|N<3>,3|C<3>}	C(CC[6a]H)(COO)(H)	122.3020	0.000	1	123.8700	4.917	2	126.7403	4.667	24	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(CC[6a]H)(COO)(H)	125.4380	0.000	1	123.8700	4.917	2	126.7403	4.667	24	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH){2|H<1>,3|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	131.1865	0.602	2	131.1865	0.362	2	126.7403	4.667	24	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCH){1|H<1>,3|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	126.1070	0.000	1	126.1070	0.000	1	126.7403	4.667	24	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CHN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(NOO)(H)	C(C[6a]C[6a,6a]C[6a])(CHN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,1|N<3>,3|C<3>}	C(CC[6a]H)(NOO)(H)	121.8420	0.000	1	123.6960	6.875	2	123.6960	6.875	2	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CHN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(NOO)(H)	C(C[6a]C[6a,6a]C[6a])(CHN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(CC[6a]H)(NOO)(H)	125.5500	0.000	1	123.6960	6.875	2	123.6960	6.875	2	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(C[5]C[5]N[5])(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|N<2>,2|C<3>,2|H<1>}	C(C[5]C[5]N[5])(CC[6a]H)(H)	125.9210	0.000	1	125.9210	0.000	1	127.9845	6.809	4	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(C[5]C[5]P[5])(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(C[5]C[5]P[5])(CC[6a]H)(H)	125.6830	0.000	1	125.6830	0.000	1	127.9845	6.809	4	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH)	C(C[5]C[5]N[5])(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCH){2|H<1>,3|C<3>}	C(C[5]C[5]N[5])(CC[6a]H)(H)	130.1670	1.160	2	130.1670	1.345	2	127.9845	6.809	4	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[5a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[5a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	125.5420	0.409	2	125.5420	0.167	2	125.5420	0.167	2	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,4|C<3>}	C(C[6]C[6]2)(CC[6a]H)(H)	124.4490	1.397	2	126.0524	3.307	7	126.0524	3.307	7	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(C[6]C[6]2)(CC[6a]H)(H)	126.6938	1.635	5	126.0524	3.307	7	126.0524	3.307	7	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(CCH){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	128.0370	0.000	1	128.0370	0.000	1	125.3901	3.781	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	127.1786	1.819	7	127.1786	3.311	7	125.3901	3.781	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.5915	1.482	4	125.5915	2.198	4	125.3901	3.781	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	122.4390	0.000	1	122.4390	0.000	1	125.3901	3.781	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	123.9748	1.175	8	123.6508	1.386	11	125.3901	3.781	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	122.7870	0.747	3	123.6508	1.386	11	125.3901	3.781	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	126.5640	0.000	1	126.5640	0.000	1	125.3901	3.781	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	123.9685	0.644	2	125.2180	4.891	3	125.3901	3.781	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	127.7170	0.000	1	125.2180	4.891	3	125.3901	3.781	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	126.0498	1.505	4	126.0473	1.585	9	125.3901	3.781	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	126.0454	1.213	5	126.0473	1.585	9	125.3901	3.781	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	124.9270	0.000	1	124.9270	0.000	1	125.3901	3.781	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	B[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CB[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(B[5a]O[5a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CB[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(B[5a]O[5a]2)(CC[6a]H)(H)	127.2815	0.596	2	127.2815	0.355	2	127.2815	0.355	2	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	B[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CB[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(B[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CB[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(B[6a]C[6a]N[6a])(CC[6a]H)(H)	128.8160	0.000	1	128.8160	0.000	1	128.0120	1.293	2	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	B[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CB[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(B[6a]N[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CB[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(B[6a]N[6a]2)(CC[6a]H)(H)	127.2080	0.000	1	127.2080	0.000	1	128.0120	1.293	2	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:Br-1:	C(C[6a]C[6a]2)(CBrC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[6a]O)(Br)	C(C[6a]C[6a]2)(CBrC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CC[6a]O)(Br)	131.5710	0.000	1	131.5710	0.000	1	133.2468	3.963	15	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:Br-1:	C(C[6a]C[6a]2)(CBrC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(Br)	C(C[6a]C[6a]2)(CBrC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(COO)(Br)	134.4150	0.000	1	134.4150	0.000	1	133.2468	3.963	15	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:Br-1:	C(C[6a]C[6a]2)(CBrC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5a]O)(CC[6a]H)(Br)	C(C[6a]C[6a]2)(CBrC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[5a]O)(CC[6a]H)(Br)	134.4900	0.000	1	134.4900	0.000	1	133.2468	3.963	15	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:Br-1:	C(C[6a]C[6a]2)(CBrC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCH)(Br)	C(C[6a]C[6a]2)(CBrC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCH)(Br)	133.7913	2.496	3	133.7913	6.230	3	133.2468	3.963	15	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:Br-1:	C(C[6a]C[6a]2)(CBrC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCO)(Br)	C(C[6a]C[6a]2)(CBrC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCO)(Br)	132.1950	0.000	1	132.1950	0.000	1	133.2468	3.963	15	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:Br-1:	C(C[6a]C[6a]2)(CBrC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]O)(Br)	C(C[6a]C[6a]2)(CBrC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(Br)	132.9903	2.402	7	132.9903	5.769	7	133.2468	3.963	15	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:Br-1:	C(C[6a]C[6a]2)(CBrC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CN[5]O)(Br)	C(C[6a]C[6a]2)(CBrC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CN[5]O)(Br)	133.7250	0.000	1	133.7250	0.000	1	133.2468	3.963	15	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:Cl-1:	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(Cl)	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(COO)(Cl)	133.9510	0.000	1	133.9510	0.000	1	131.3868	16.327	5	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:Cl-1:	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(Cl)	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)(Cl)	128.0370	0.000	1	128.0370	0.000	1	131.3868	16.327	5	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:Cl-1:	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]O)(Cl)	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(Cl)	131.6487	4.863	3	131.6487	23.653	3	131.3868	16.327	5	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[5a]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[5a]O)(CC[6a]H)(H)	129.2240	0.000	1	129.2240	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CCH)(H)	127.0928	0.939	9	127.0928	0.882	9	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CCO)(H)	126.6525	0.363	2	126.6525	0.132	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CC[6a]O)(H)	127.5697	1.278	6	127.5697	1.633	6	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CNO)(H)	128.9860	0.000	1	128.9860	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CN[6]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CN[6]O)(H)	128.2805	0.814	2	128.2805	0.662	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]H)(COO)(H)	128.6880	0.000	1	128.5460	0.040	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(COO)(H)	128.4040	0.000	1	128.5460	0.040	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CC[6a]O)(H)	124.6400	0.000	1	124.6400	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(CCO)(H)	127.9360	0.000	1	127.9360	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	128.1840	1.480	3	128.1840	2.190	3	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]H)(COO)(H)	126.8600	0.000	1	127.5065	0.836	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(COO)(H)	128.1530	0.000	1	127.5065	0.836	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(CCH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C(CC[6a]H)(COO)(H)	128.4430	0.000	1	128.4430	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[5a]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(CC[5a]H)(CC[6a]H)(H)	131.2720	0.000	1	131.2720	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH){1|O<2>,2|C<3>,2|H<1>}	C(CC[6a]H)(CCO)(H)	125.3220	0.000	1	125.3220	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C(CC[6a]H)(COO)(H)	126.1473	2.201	3	126.1473	4.845	3	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(COO)(H)	128.4620	2.171	2	128.4620	4.712	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CCH){2|C<3>}	C(CC[6a]H)(CCO)(H)	130.4295	1.819	2	130.4295	3.310	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCH){3|C<3>}	C(CC[6a]H)(COO)(H)	127.5930	0.000	1	127.5930	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[5a]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(CC[5a]O)(CC[6a]H)(H)	127.2673	1.057	3	127.2673	1.117	3	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<2>}	C(CC[6a]H)(CCH)(H)	128.2520	0.000	1	127.6403	0.792	9	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CCH)(H)	128.0910	0.000	1	127.6403	0.792	9	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(CCH)(H)	127.4886	0.966	7	127.6403	0.792	9	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(CCO)(H)	125.8570	0.000	1	125.8570	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(CC[5]O)(H)	126.8100	0.000	1	126.8100	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	127.1747	0.761	10	127.1747	0.580	10	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<2>}	C(CC[6a]H)(COO)(H)	128.5560	0.000	1	128.5560	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCH)	C(CC[5a]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCH){2|C<3>}	C(CC[5a]O)(CC[6a]H)(H)	125.5580	0.000	1	125.5580	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(CCH){2|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	125.3676	1.835	5	125.3676	3.368	5	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	128.1100	0.000	1	126.7477	8.521	4	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]O)(CCH){2|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	126.2937	3.398	3	126.7477	8.521	4	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(COO)(H)	126.4870	0.000	1	126.4870	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CCH)	C(CC[6a]H)(CHO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CCH){1|H<1>,4|C<3>}	C(CC[6a]H)(CHO)(H)	126.4070	0.000	1	126.4070	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]C)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]C)(CCH){2|C<3>}	C(CC[6a]H)(COO)(H)	128.3530	0.000	1	128.3530	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CCH){2|C<3>}	C(CC[6a]H)(COO)(H)	127.7450	0.000	1	127.7450	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|O<2>,2|C<3>,2|H<1>}	C(CC[6a]H)(COO)(H)	125.7725	2.036	2	126.6230	2.413	4	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(CC[6a]H)(COO)(H)	127.4735	0.448	2	126.6230	2.413	4	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]2)2(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]2)2(CCH){2|H<1>,5|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	127.8270	0.000	1	127.8270	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	C(CC[5a]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[5a]O)(CC[6a]H)(H)	127.6387	0.344	3	127.6387	0.119	3	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCC)(H)	127.3300	0.000	1	127.3300	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CCN)(H)	125.0520	0.000	1	125.0520	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CC[6a]O)(H)	127.2340	0.000	1	126.9846	0.241	7	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	126.9430	0.524	6	126.9846	0.241	7	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)(H)	127.1280	0.000	1	127.1280	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[5a]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[5a]O)(CC[6a]H)(H)	127.4260	0.000	1	127.4260	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]H)(CCC)(H)	124.6010	0.211	2	124.6010	0.044	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCH)(H)	126.9618	0.767	9	126.9618	0.588	9	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]H)(CCO)(H)	126.9240	0.000	1	128.1597	5.711	6	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCO)(H)	128.4068	2.585	5	128.1597	5.711	6	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[5]O)(H)	126.9570	0.000	2	126.9570	0.000	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	128.2419	2.718	9	128.2419	7.387	9	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CNO)(H)	127.4500	0.954	6	127.4500	0.911	6	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]H)(COO)(H)	126.7630	0.000	1	126.1620	1.483	10	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(COO)(H)	126.4403	1.592	3	126.1620	1.483	10	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)(H)	125.9074	1.354	5	126.1620	1.483	10	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(COO)(H)	125.9990	0.000	1	126.1620	1.483	10	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	130.2740	0.000	1	130.2740	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)(H)	131.1050	0.211	4	131.1050	0.044	4	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(CCH)	C(CC[5a]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(CCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[5a]O)(CC[6a]H)(H)	127.8320	0.000	1	127.8320	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(CCH){2|Cl<1>,1|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	129.2450	0.000	1	129.2450	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)(H)	127.6990	0.000	1	127.6990	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCH){3|C<3>,3|H<1>}	C(CC[6a]H)(COO)(H)	125.5360	0.000	1	125.5360	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]F)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	129.2463	0.233	3	129.2463	0.054	3	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(CC[5a]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[5a]O)(CC[6a]H)(H)	126.5158	1.163	6	126.3983	1.224	7	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(CC[5a]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){2|Cl<1>,1|C<3>}	C(CC[5a]O)(CC[6a]H)(H)	125.6930	0.000	1	126.3983	1.224	7	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCC)(H)	126.3665	0.100	2	126.3665	0.010	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCH)(H)	127.2850	0.000	1	127.2850	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCO)(H)	126.4950	0.168	2	126.4950	0.028	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[5]O)(H)	127.0620	1.608	2	127.0620	2.586	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[6]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6]O)(H)	126.6070	0.000	1	126.6070	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CC[6a]O)(H)	127.6650	0.000	1	126.5714	0.802	24	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	126.5539	0.893	22	126.5714	0.802	24	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){2|Cl<1>,1|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	125.8640	0.000	1	126.5714	0.802	24	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)(H)	125.4275	0.356	2	125.4275	0.127	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)2(CCH)	C(CC[6a]H)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCN)(H)	128.7340	0.000	1	128.7340	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)2(CCH)	C(CC[6a]H)(CC[6]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6]O)(H)	129.9850	0.000	1	129.9850	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)2(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	130.0270	1.878	2	130.0270	3.527	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCH)(H)	126.2640	0.000	1	126.2640	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCO)(H)	125.4630	0.000	1	125.4630	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,1|F<1>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	125.7330	0.000	1	125.8795	0.643	6	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	125.9088	0.893	5	125.8795	0.643	6	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]H)(COO)(H)	128.8180	0.000	1	126.8930	0.872	7	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,1|F<1>,1|H<1>}	C(CC[6a]H)(COO)(H)	126.8660	0.000	2	126.8930	0.872	7	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)(H)	126.2660	0.414	3	126.8930	0.872	7	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(COO)(H)	126.9030	0.000	1	126.8930	0.872	7	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]P)(CCH){1|C<3>,2|F<1>}	C(CC[6a]H)(CC[6a]O)(H)	128.7450	0.000	1	128.7450	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)2(CCH)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	C(CC[6a]H)(CCH)(H)	127.9787	0.376	3	127.9670	0.095	4	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)2(CCH)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCH)(H)	127.9320	0.000	1	127.9670	0.095	4	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)2(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	C(CC[6a]H)(CCO)(H)	127.4375	0.832	6	128.4530	2.330	10	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)2(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCO)(H)	129.9762	0.826	4	128.4530	2.330	10	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)2(CCH)	C(CC[6a]H)(CC[4]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[4]O)(H)	128.4960	0.000	1	128.4960	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)2(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	C(CC[6a]H)(CC[6a]O)(H)	128.3380	0.000	1	128.7117	0.276	3	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)2(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	128.8985	0.585	2	128.7117	0.276	3	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)2(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	C(CC[6a]H)(COO)(H)	128.0330	0.412	2	128.3783	0.442	3	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)2(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)(H)	129.0690	0.000	1	128.3783	0.442	3	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[5a]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[5a]H)(CC[6a]H)(H)	123.8570	0.000	1	123.8570	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[5a]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[5a]O)(CC[6a]H)(H)	125.1390	0.000	1	125.1715	0.002	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[5a]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[5a]O)(CC[6a]H)(H)	125.2040	0.000	1	125.1715	0.002	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CCC)(H)	125.1890	0.000	1	125.1890	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCH)(H)	125.1586	0.924	5	125.1586	0.854	5	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCO)(H)	126.5828	0.517	8	126.5828	0.267	8	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CC[6a]O)(H)	125.0710	0.646	2	126.3278	2.435	4	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	127.5845	0.754	2	126.3278	2.435	4	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHN)(H)	124.9349	1.082	21	124.9349	1.170	21	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|Br<1>,1|C<3>,1|C<4>}	C(CC[6a]H)(COO)(H)	125.2810	1.820	4	126.1896	4.120	16	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]H)(COO)(H)	125.1750	1.590	2	126.1896	4.120	16	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(COO)(H)	127.7380	0.000	1	126.1896	4.120	16	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)(H)	126.6468	2.228	9	126.1896	4.120	16	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[5a]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[5a]O)(CC[6a]H)(H)	127.2644	1.354	5	127.9332	1.814	11	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[5a]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[5a]O)(CC[6a]H)(H)	128.4905	1.158	6	127.9332	1.814	11	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]H)(H)	126.1500	0.000	1	126.1500	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]H)(CCC)(H)	126.2000	0.000	1	125.5557	0.313	3	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CCC)(H)	125.2740	0.000	1	125.5557	0.313	3	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCC)(H)	125.1930	0.000	1	125.5557	0.313	3	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CCH)(H)	126.2970	0.000	1	126.2153	4.561	3	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCH)(H)	126.1745	3.019	2	126.2153	4.561	3	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|Br<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(CCO)(H)	129.7810	0.000	1	126.7445	2.987	15	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CCO)(H)	125.8482	1.378	6	126.7445	2.987	15	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCO)(H)	127.0373	1.585	8	126.7445	2.987	15	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[5]O)(H)	128.8125	2.709	2	128.8125	7.338	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CC[6a]N)(H)	125.1340	0.727	2	125.1340	0.528	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|Br<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	127.5440	0.000	1	127.3244	2.723	45	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CC[6a]O)(H)	126.9596	1.245	19	127.3244	2.723	45	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	127.5928	1.910	25	127.3244	2.723	45	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHN)(H)	126.4630	0.268	3	126.4630	0.072	3	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CHO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|Br<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(CHO)(H)	125.9050	0.000	1	127.0147	0.924	3	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CHO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHO)(H)	127.5695	0.015	2	127.0147	0.924	3	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CNO)(H)	130.1130	5.781	2	130.1130	33.423	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|Br<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(COO)(H)	128.9380	2.176	2	128.3356	4.236	12	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]H)(COO)(H)	126.9900	0.000	1	128.3356	4.236	12	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)(H)	128.4836	2.332	8	128.3356	4.236	12	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(COO)(H)	127.2920	0.000	1	128.3356	4.236	12	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)2(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)2(H)	128.0810	0.000	1	128.0810	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCO)(H)	127.6266	0.191	5	127.6266	0.037	5	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)(H)	126.7945	1.097	2	126.7945	1.203	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH){1|C<3>,1|H<1>}	C(CC[6a]H)(CCH)(H)	126.5540	0.000	1	126.5540	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH){1|C<3>,1|H<1>}	C(CC[6a]H)(CCO)(H)	126.4733	1.303	3	126.4733	1.697	3	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH){1|C<3>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	127.0700	0.000	1	127.0700	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH){1|C<3>,1|H<1>}	C(CC[6a]H)(CNO)(H)	127.5555	0.267	4	127.5555	0.071	4	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH){1|C<3>,1|H<1>}	C(CC[6a]H)(COO)(H)	127.1500	0.000	1	127.1500	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[3x6]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[3x6]C)(CC[6a]H)(H)	127.5490	0.083	2	127.5490	0.007	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[3x6]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[3x6]O)(CC[6a]H)(H)	129.4500	0.000	1	129.4500	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5,6]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[5,6]O)(CC[6a]H)(H)	128.5030	0.000	1	128.5030	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[5a]2)(CC[6a]H)(H)	125.3160	0.000	1	125.3160	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5a]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C(CC[5a]O)(CC[6a]H)(H)	128.3653	1.406	3	127.5075	0.953	62	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5a]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[5a]O)(CC[6a]H)(H)	127.5532	1.262	6	127.5075	0.953	62	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5a]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[5a]O)(CC[6a]H)(H)	127.4563	0.939	48	127.5075	0.953	62	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5a]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	C(CC[5a]O)(CC[6a]H)(H)	127.1877	0.667	3	127.5075	0.953	62	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5a]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[5a]O)(CC[6a]H)(H)	127.7920	1.048	2	127.5075	0.953	62	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6,6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6,6]H)(CC[6a]H)(H)	126.5060	0.000	1	126.5060	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]H)(H)	126.5009	0.720	11	126.3137	0.892	12	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|H<1>}	C(CC[6a]C)(CC[6a]H)(H)	124.2540	0.000	1	126.3137	0.892	12	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]C[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CC[6a]H)(H)	125.8780	1.059	5	125.9452	0.925	6	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]C[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	C(CC[6a]C[5])(CC[6a]H)(H)	126.2810	0.000	1	125.9452	0.925	6	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CBrC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CBrC)(H)	126.4935	1.008	4	126.4935	1.015	4	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]H)(CCC)(H)	125.3720	0.000	1	126.9050	2.973	13	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCC)(H)	127.0328	1.735	12	126.9050	2.973	13	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<2>,1|C<3>,1|H<1>}	C(CC[6a]H)(CCH)(H)	126.6415	0.145	2	127.1833	0.626	101	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]H)(CCH)(H)	127.0630	0.136	2	127.1833	0.626	101	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCH)(H)	127.2169	0.817	92	127.1833	0.626	101	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|H<1>}	C(CC[6a]H)(CCH)(H)	126.8298	0.324	5	127.1833	0.626	101	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCN)(H)	126.5000	0.961	7	126.5000	0.923	7	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]H)(CCO)(H)	126.5180	0.000	1	127.2107	1.582	103	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CCO)(H)	127.3648	1.310	22	127.2107	1.582	103	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCO)(H)	127.3002	1.318	61	127.2107	1.582	103	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(CCO)(H)	125.6690	0.000	1	127.2107	1.582	103	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|H<1>}	C(CC[6a]H)(CCO)(H)	126.8427	0.936	18	127.2107	1.582	103	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCS)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCS)(H)	125.6070	0.000	1	125.6070	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[4]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[4]H)(H)	127.5070	0.000	1	127.5070	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[4]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[4]O)(H)	125.9020	0.000	1	125.9020	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[5]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[5]H)(H)	127.6152	0.238	6	127.6152	0.057	6	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[5]N)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[5]N)(H)	126.5330	0.000	1	126.5330	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]H)(CC[5]O)(H)	126.9160	1.444	2	126.9796	1.123	18	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[5]O)(H)	126.9890	1.102	15	126.9796	1.123	18	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	C(CC[6a]H)(CC[5]O)(H)	126.9650	0.000	1	126.9796	1.123	18	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6]H)(H)	127.4182	0.992	17	127.4182	0.983	17	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6]N)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6]N)(H)	125.8690	0.000	1	125.8690	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6]O)(H)	127.2877	0.980	10	127.1147	1.095	12	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	C(CC[6a]H)(CC[6]O)(H)	126.2495	1.268	2	127.1147	1.095	12	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CC[6a]N)(H)	125.8490	0.000	2	126.5319	1.226	17	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]N)(H)	126.6229	1.151	15	126.5319	1.226	17	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Br<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	127.2732	0.979	16	127.4190	1.138	398	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	127.0983	0.106	3	127.4190	1.138	398	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|F<1>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	127.3714	0.392	5	127.4190	1.138	398	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|I<1>}	C(CC[6a]H)(CC[6a]O)(H)	127.1100	0.000	1	127.4190	1.138	398	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]H)(CC[6a]O)(H)	126.3941	1.150	9	127.4190	1.138	398	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CC[6a]O)(H)	127.7686	0.882	45	127.4190	1.138	398	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|S<4>}	C(CC[6a]H)(CC[6a]O)(H)	126.3173	0.532	3	127.4190	1.138	398	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|F<1>}	C(CC[6a]H)(CC[6a]O)(H)	126.6955	0.244	2	127.4190	1.138	398	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	127.4814	1.051	279	127.4190	1.138	398	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	C(CC[6a]H)(CC[6a]O)(H)	127.1407	1.341	23	127.4190	1.138	398	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	126.7186	1.192	9	127.4190	1.138	398	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	126.5503	1.328	3	127.4190	1.138	398	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CHN)(H)	126.1000	0.000	1	126.9980	2.421	88	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHN)(H)	127.0084	1.562	87	126.9980	2.421	88	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHO)(H)	128.0610	1.389	7	128.0610	1.929	7	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CIrC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CIrC)(H)	128.0310	0.631	3	128.0310	0.399	3	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CNN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CNN)(H)	126.4440	0.688	3	126.4440	0.473	3	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CNO)(H)	128.5326	1.167	5	127.0631	3.361	80	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CNO)(H)	126.9671	1.872	69	127.0631	3.361	80	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<4>,2|C<3>}	C(CC[6a]H)(CNO)(H)	127.8680	0.000	1	127.0631	3.361	80	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(CNO)(H)	126.6315	2.543	2	127.0631	3.361	80	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|H<1>}	C(CC[6a]H)(CNO)(H)	126.8427	1.142	3	127.0631	3.361	80	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CN[5]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CN[5]H)(H)	127.9132	1.457	5	127.9132	2.122	5	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CN[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CN[5]O)(H)	126.6072	0.759	13	126.6072	0.576	13	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CN[5a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CN[5a]H)(H)	127.7963	0.649	4	127.7963	0.422	4	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CN[5a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CN[5a]O)(H)	128.3000	0.365	2	128.3000	0.133	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CN[6]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CN[6]O)(H)	127.3355	0.305	2	127.7763	1.284	9	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CN[6]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CN[6]O)(H)	127.9023	1.270	7	127.7763	1.284	9	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Br<1>,1|C<3>,1|C<4>}	C(CC[6a]H)(COO)(H)	127.6490	0.000	1	127.2679	1.016	230	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Br<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(COO)(H)	126.6296	0.470	5	127.2679	1.016	230	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]H)(COO)(H)	128.1257	0.535	3	127.2679	1.016	230	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]H)(COO)(H)	127.6010	0.513	3	127.2679	1.016	230	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(COO)(H)	127.4720	0.955	46	127.2679	1.016	230	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|N<3>,1|O<2>}	C(CC[6a]H)(COO)(H)	125.4630	0.000	1	127.2679	1.016	230	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)(H)	127.2222	1.015	152	127.2679	1.016	230	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|N<3>}	C(CC[6a]H)(COO)(H)	127.1800	0.083	2	127.2679	1.016	230	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	C(CC[6a]H)(COO)(H)	127.1910	1.297	6	127.2679	1.016	230	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<4>,2|C<3>}	C(CC[6a]H)(COO)(H)	126.7440	0.000	1	127.2679	1.016	230	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(COO)(H)	127.3298	1.387	5	127.2679	1.016	230	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(COO)(H)	127.1576	1.350	5	127.2679	1.016	230	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COS)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COS)(H)	128.3228	0.729	4	128.3228	0.531	4	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH){1|C<4>,2|C<3>,2|H<1>}	C(CC[6a]H)(CCO)(H)	124.5870	0.000	1	124.5870	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(CC[6a]H)(COO)(H)	125.9090	0.000	1	125.7460	0.053	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>,2|C<4>}	C(CC[6a]H)(COO)(H)	125.5830	0.000	1	125.7460	0.053	2	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]O)2(CCH)	C(CC[5a]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]O)2(CCH){1|C<3>,2|H<1>}	C(CC[5a]O)(CC[6a]H)(H)	130.1550	0.000	1	130.1550	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]O)2(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]O)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCO)(H)	130.6511	0.958	7	130.6511	0.918	7	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]O)2(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]O)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	130.4775	0.725	6	130.4775	0.526	6	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]H)(CCH){1|Br<1>,3|C<3>}	C(CC[6a]H)(COO)(H)	125.7960	0.000	1	125.7960	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCH)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCH){1|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	130.3110	0.000	1	130.3110	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]N[6a]O)2(CCH)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]N[6a]O)2(CCH){1|C<3>,2|C<4>}	C(CC[6a]H)(CCH)(H)	129.4942	2.023	4	129.4942	4.092	4	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]N[6a]O)2(CCH)	C(CC[6a]H)2(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]N[6a]O)2(CCH){1|C<3>,2|C<4>}	C(CC[6a]H)2(H)	130.0880	0.000	1	130.0880	0.000	1	127.2428	1.908	1674	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:Cl-1:	C(C[6a]C[6a]2)(CClN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(NCS)(Cl)	C(C[6a]C[6a]2)(CClN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NCS)(Cl)	128.2380	0.000	1	128.2380	0.000	1	128.2380	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:F-1:	C(C[6a]C[6a]2)(CFN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(NCS)(F)	C(C[6a]C[6a]2)(CFN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NCS)(F)	130.1820	0.000	1	130.1820	0.000	1	130.1820	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(NCC)(H)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(NCC)(H)	124.4110	0.270	2	124.4110	0.073	2	125.6752	9.920	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(CC[6a]H)(NOO)(H)	125.4515	0.071	2	125.4515	0.005	2	125.6752	9.920	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NOO)(H)	124.3970	0.000	1	124.3970	0.000	1	125.6752	9.920	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(NCC)(H)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(NCC)(H)	127.0970	0.000	1	126.3540	1.104	2	125.6752	9.920	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(NCC)(H)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NCC)(H)	125.6110	0.000	1	126.3540	1.104	2	125.6752	9.920	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(NCC)(H)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NCC)(H)	124.1570	0.000	1	124.1570	0.000	1	125.6752	9.920	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(NOO)(H)	125.7350	0.000	1	128.8893	4.555	4	125.6752	9.920	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NOO)(H)	130.1880	0.175	2	128.8893	4.555	4	125.6752	9.920	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(NOO)(H)	129.4460	0.000	1	128.8893	4.555	4	125.6752	9.920	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(NCC)(H)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NCC)(H)	128.7225	0.049	2	128.7225	0.002	2	125.6752	9.920	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(NCH)(H)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NCH)(H)	120.8864	4.600	5	120.8864	21.163	5	125.6752	9.920	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(NCS)(H)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NCS)(H)	129.1180	0.000	1	129.1180	0.000	1	125.6752	9.920	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(NC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NC[6a]C)(H)	125.5500	0.999	3	125.5500	0.999	3	125.6752	9.920	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NOO)(H)	125.6311	1.315	14	125.6311	1.728	14	125.6752	9.920	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(NSS)(H)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NSS)(H)	132.6340	0.000	1	132.6340	0.000	1	125.6752	9.920	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(NC[5a]H)(O)	C(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NC[5a]H)(O)	113.6580	0.000	1	113.6580	0.000	1	113.6580	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:P-3:H-1:	C(C[6a]C[6a]2)(CHP)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(PC[6a]2)(H)	C(C[6a]C[6a]2)(CHP)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(PC[6a]2)(H)	131.0033	0.543	3	131.0033	0.295	3	130.5648	1.783	5	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:P-3:H-1:	C(C[6a]C[6a]2)(CHP)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(PC[6a]C)(H)	C(C[6a]C[6a]2)(CHP)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(PC[6a]C)(H)	129.9070	2.258	2	129.9070	5.101	2	130.5648	1.783	5	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-3:H-1:	C(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(SC[6a]O)(H)	C(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(SC[6a]O)(H)	126.8283	2.093	3	126.8283	4.379	3	126.8283	4.379	3	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[4]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[4]B[4]C[4])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[4]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[4]B[4]C[4])(CC[6a]H)(H)	126.2365	0.821	4	126.2365	0.674	4	126.4714	0.781	5	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[4]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[4]C[4,6]C[4])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[4]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[4]C[4,6]C[4])(CC[6a]H)(H)	127.4110	0.000	1	127.4110	0.000	1	126.4714	0.781	5	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5,6]C[5,5,6]C[5,6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(CC[6a]H)(H)	123.5500	0.000	1	123.5500	0.000	1	123.5500	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(C[5]C[5]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2)(CC[6a]H)(H)	127.1295	1.170	2	127.1295	1.370	2	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	C(C[5]C[5]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[5]C[5]2)(CC[6a]H)(H)	126.6470	0.000	1	126.6470	0.000	1	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CCH)	C(C[5]C[5]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CCH){1|C<3>,2|C<4>}	C(C[5]C[5]2)(CC[6a]H)(H)	127.6540	0.000	1	127.6540	0.000	1	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CCH)	C(C[5]C[5]N[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CCH){1|C<3>,2|C<4>}	C(C[5]C[5]N[5])(CC[6a]H)(H)	128.6670	0.000	1	128.6670	0.000	1	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCH)	C(C[5]C[5]N[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCH){2|C<3>}	C(C[5]C[5]N[5])(CC[6a]H)(H)	126.6850	1.037	2	126.6850	1.075	2	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]H)(CCH)	C(C[5]C[5]N[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]S[6a]H)(CCH){2|C<3>}	C(C[5]C[5]N[5])(CC[6a]H)(H)	125.9730	0.000	1	125.9730	0.000	1	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[5]C[5]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]2)(CC[6a]H)(H)	126.8790	0.000	1	126.8790	0.000	1	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[5]C[5]N[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]N[5])(CC[6a]H)(H)	126.3110	0.000	1	126.3110	0.000	1	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(C[5]C[5]N[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]N[5])(CC[6a]H)(H)	125.9580	0.000	1	125.9580	0.000	1	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[5]C[5]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]2)(CC[6a]H)(H)	126.8055	0.435	2	127.7980	3.014	5	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[5]C[5]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]2)(CC[6a]H)(H)	128.4597	2.071	3	127.7980	3.014	5	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[5]C[5]N[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|N<3>}	C(C[5]C[5]N[5])(CC[6a]H)(H)	127.5932	1.380	16	127.1524	2.253	27	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[5]C[5]N[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]N[5])(CC[6a]H)(H)	127.3738	1.813	5	127.1524	2.253	27	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[5]C[5]N[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]N[5])(CC[6a]H)(H)	125.7923	0.692	6	127.1524	2.253	27	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[5]N[5]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<4>,2|C<3>}	C(C[5]N[5]2)(CC[6a]H)(H)	124.1960	0.000	1	124.1960	0.000	1	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5,5,6]C[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5,5,6]C[5])(CC[6a]H)(H)	124.6360	0.000	1	124.6360	0.000	1	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]2)(CC[6a]H)(H)	126.1607	0.398	3	125.6743	1.052	4	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	C(C[5]C[5]2)(CC[6a]H)(H)	124.2150	0.000	1	125.6743	1.052	4	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]N[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]N[5])(CC[6a]H)(H)	126.8289	1.140	8	126.8289	1.300	8	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]O[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]O[5])(CC[6a]H)(H)	125.4430	0.000	1	125.4430	0.000	1	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]P[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]P[5])(CC[6a]H)(H)	125.0540	1.034	2	125.0540	1.069	2	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]S[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|H<1>}	C(C[5]C[5]S[5])(CC[6a]H)(H)	126.2090	0.000	1	126.2090	0.000	1	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]N[5]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]N[5]2)(CC[6a]H)(H)	125.1370	0.000	1	125.1370	0.000	1	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]N[5]O[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]N[5]O[5])(CC[6a]H)(H)	126.3187	1.555	3	126.3187	2.417	3	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]N[5]S[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[5]N[5]S[5])(CC[6a]H)(H)	126.5200	0.619	4	126.6812	1.638	13	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]N[5]S[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|C<4>}	C(C[5]N[5]S[5])(CC[6a]H)(H)	127.4615	0.721	2	126.6812	1.638	13	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]N[5]S[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]N[5]S[5])(CC[6a]H)(H)	126.5503	1.661	7	126.6812	1.638	13	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]Se[5]C[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]Se[5]C[5])(CC[6a]H)(H)	127.4510	0.000	1	127.4510	0.000	1	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]Se[5]N[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[5]Se[5]N[5])(CC[6a]H)(H)	127.8916	1.265	5	127.8916	1.599	5	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]O)2(CCH)	C(C[5]C[5]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]O)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]2)(CC[6a]H)(H)	129.9290	2.230	2	129.9290	4.974	2	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]N[6a]O)2(CCH)	C(C[5]C[5]N[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]N[6a]O)2(CCH){1|C<3>,2|C<4>}	C(C[5]C[5]N[5])(CC[6a]H)(H)	129.0080	0.000	1	129.0080	0.000	1	126.9249	2.263	87	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	128.2260	1.155	2	128.2260	1.335	2	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CCH)	C(C[5a]N[5a,6]C[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CCH){1|C<3>,2|C<4>}	C(C[5a]N[5a,6]C[5a])(CC[6a]H)(H)	127.1180	0.000	1	127.1180	0.000	1	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH)	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|S<2>}	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	128.2877	0.053	3	128.2877	0.003	3	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(CCH)	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a,6a]B)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	133.8350	0.000	1	133.8350	0.000	1	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	C(C[5a]C[5a,6a]C[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]H)(H)	127.8750	0.000	1	127.8750	0.000	1	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	C(C[5a]N[5a]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(C[5a]N[5a]S[5a])(CC[6a]H)(H)	128.9850	0.000	1	128.9850	0.000	1	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCH)	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	126.7680	0.000	1	126.7680	0.000	1	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[5a]C[5a,6a]C[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]H)(H)	132.3370	0.156	2	132.3370	0.024	2	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[5a]C[5a]N[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a]H)(H)	125.7220	0.000	1	125.7220	0.000	1	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[5a]C[5a]O[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[5a]C[5a]O[5a])(CC[6a]H)(H)	125.9150	0.957	2	125.9150	0.917	2	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(C[5a]C[5a,6a]C[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]H)(H)	127.2855	0.613	2	127.2855	0.376	2	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(C[5a]N[5a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C(C[5a]N[5a]2)(CC[6a]H)(H)	127.7670	0.000	1	127.7670	0.000	1	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(C[5a]N[5a]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C(C[5a]N[5a]S[5a])(CC[6a]H)(H)	124.9730	0.331	2	124.9730	0.110	2	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	126.3800	0.000	1	126.3800	0.000	1	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]F)2(CCH)	C(C[5a]C[5a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	C(C[5a]C[5a]2)(CC[6a]H)(H)	128.1030	0.041	2	128.1030	0.002	2	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]F)2(CCH)	C(C[5a]C[5a]O[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	C(C[5a]C[5a]O[5a])(CC[6a]H)(H)	127.1640	0.000	1	127.1640	0.000	1	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]F)2(CCH)	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	127.1005	0.380	2	127.1005	0.144	2	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(C[5a]C[5a]N[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[5a]C[5a]N[5a])(CC[6a]H)(H)	124.9740	0.000	1	124.0018	0.806	9	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(C[5a]C[5a]N[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a]H)(H)	123.9436	0.928	7	124.0018	0.806	9	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(C[5a]C[5a]N[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a]H)(H)	123.4370	0.000	1	124.0018	0.806	9	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	125.0520	0.000	1	127.8470	8.792	3	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	129.2445	2.422	2	127.8470	8.792	3	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[5a]N[5a,6]C[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(C[5a]N[5a,6]C[5a])(CC[6a]H)(H)	127.4085	1.298	2	127.4085	1.684	2	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[5a]N[5a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(C[5a]N[5a]2)(CC[6a]H)(H)	127.7280	0.000	1	127.7280	0.000	1	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH)	C(C[5a]C[5a]N[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a]H)(H)	127.5800	0.000	1	127.5800	0.000	1	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]C[5a,6]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	C(C[5a]C[5a,6]S[5a])(CC[6a]H)(H)	130.0950	0.000	1	130.0950	0.000	1	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]C[5a,6a]C[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]H)(H)	130.0370	2.666	2	130.0370	7.106	2	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]C[5a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[5a]C[5a]2)(CC[6a]H)(H)	126.8770	0.000	1	126.5350	0.234	2	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]C[5a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]2)(CC[6a]H)(H)	126.1930	0.000	1	126.5350	0.234	2	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]C[5a]N[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[5a]C[5a]N[5a])(CC[6a]H)(H)	127.8310	0.799	4	126.5653	0.999	20	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]C[5a]N[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a]H)(H)	126.2489	0.777	16	126.5653	0.999	20	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]C[5a]O[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CC[6a]H)(H)	127.0269	0.736	11	127.1536	1.117	14	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]C[5a]O[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){3|C<3>}	C(C[5a]C[5a]O[5a])(CC[6a]H)(H)	127.6180	2.035	3	127.1536	1.117	14	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<2>}	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	124.8390	0.000	1	127.0322	0.999	20	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	127.1476	0.879	19	127.0322	0.999	20	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]N[5a,6]C[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C(C[5a]N[5a,6]C[5a])(CC[6a]H)(H)	128.0100	0.000	1	127.1976	1.698	16	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]N[5a,6]C[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]N[5a,6]C[5a])(CC[6a]H)(H)	127.0062	1.380	13	127.1976	1.698	16	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]N[5a,6]C[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|H<1>}	C(C[5a]N[5a,6]C[5a])(CC[6a]H)(H)	128.0350	0.257	2	127.1976	1.698	16	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]N[5a,6a]C[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]N[5a,6a]C[5a])(CC[6a]H)(H)	127.1160	0.000	1	127.1160	0.000	1	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]N[5a,6a]N[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]N[5a,6a]N[5a])(CC[6a]H)(H)	128.0790	0.000	1	128.0790	0.000	1	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]N[5a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<2>}	C(C[5a]N[5a]2)(CC[6a]H)(H)	127.3160	0.000	1	127.0396	0.758	10	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]N[5a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]N[5a]2)(CC[6a]H)(H)	126.9485	0.962	8	127.0396	0.758	10	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]N[5a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[5a]N[5a]2)(CC[6a]H)(H)	127.4920	0.000	1	127.0396	0.758	10	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	124.4890	0.000	1	126.2776	1.206	8	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]N[5a]O[5a])(CC[6a]H)(H)	126.5331	0.893	7	126.2776	1.206	8	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]N[5a]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]N[5a]S[5a])(CC[6a]H)(H)	127.8153	0.898	3	127.1495	2.311	4	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]N[5a]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[5a]N[5a]S[5a])(CC[6a]H)(H)	125.1520	0.000	1	127.1495	2.311	4	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]N)2(CCH)	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]N)2(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(CC[6a]H)(H)	128.4940	0.000	1	128.4940	0.000	1	127.0242	2.790	142	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:Br-1:	C(C[6a]C[6a]2)(CC[6]Br)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2)(CC[6a]H)(Br)	C(C[6a]C[6a]2)(CC[6]Br)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(Br)	134.6760	0.000	1	134.6760	0.000	1	134.6760	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	C(C[6]C[6,6a]C[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6,6a]C[6])(CC[6a]H)(H)	125.8860	0.000	1	125.8860	0.000	1	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CC[6a]H)(H)	128.0100	0.010	2	128.0100	0.000	2	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	C(C[6]C[6]O[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[6]C[6]O[6])(CC[6a]H)(H)	126.1850	1.612	2	126.1850	2.599	2	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CC[6a]H)(H)	124.4830	0.767	3	124.4830	0.588	3	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]2)2(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]2)2(CCH){2|H<1>,5|C<3>}	C(C[6]C[6]2)(CC[6a]H)(H)	133.1305	0.422	2	133.1305	0.178	2	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]2)(CC[6a]H)(H)	128.2320	0.000	1	127.3286	0.601	5	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	127.1028	0.679	4	127.3286	0.601	5	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	126.1544	0.405	5	126.1544	0.164	5	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Cl)2(CCH)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Cl)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	124.4465	2.129	2	124.4465	4.533	2	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	126.0460	0.000	1	126.0460	0.000	1	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]F)2(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	127.7145	0.916	2	127.7145	0.839	2	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	130.3180	0.000	1	130.3180	0.000	1	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	126.5580	0.000	1	126.9684	4.278	14	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(CC[6a]H)(H)	125.8693	0.902	4	126.9684	4.278	14	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	127.6907	2.404	7	126.9684	4.278	14	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CC[6a]H)(H)	124.6270	0.000	1	126.9684	4.278	14	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|O<2>,2|C<3>}	C(C[6]C[6]2)(CC[6a]H)(H)	129.0610	0.000	1	126.9684	4.278	14	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	128.3550	0.554	2	126.8653	3.277	4	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	125.3755	0.804	2	126.8653	3.277	4	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[5a,6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[5a,6]2)(CC[6a]H)(H)	126.4498	1.117	5	126.4498	1.248	5	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6,6a]C[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6,6a]C[6])(CC[6a]H)(H)	127.8760	0.000	1	127.5553	0.138	3	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6,6a]C[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(CC[6a]H)(H)	127.3950	0.349	2	127.5553	0.138	3	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6,6a]O[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6,6a]O[6])(CC[6a]H)(H)	127.0285	0.743	2	126.8100	0.419	3	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6,6a]O[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){2|Br<1>,1|C<3>}	C(C[6]C[6,6a]O[6])(CC[6a]H)(H)	126.3730	0.000	1	126.8100	0.419	3	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Br<1>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	126.4760	0.576	2	126.6117	4.592	242	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	126.1480	1.329	2	126.6117	4.592	242	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|F<1>,1|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	126.1960	0.505	2	126.6117	4.592	242	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CC[6a]H)(H)	126.1475	1.770	2	126.6117	4.592	242	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(CC[6a]H)(H)	127.0999	0.820	16	126.6117	4.592	242	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|C<4>}	C(C[6]C[6]2)(CC[6a]H)(H)	127.2060	5.609	2	126.6117	4.592	242	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	126.7932	2.192	181	126.6117	4.592	242	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	126.3155	1.514	2	126.6117	4.592	242	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	125.2826	2.235	27	126.6117	4.592	242	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){3|C<3>}	C(C[6]C[6]2)(CC[6a]H)(H)	126.2063	0.695	6	126.6117	4.592	242	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<2>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	126.6800	0.000	1	126.8923	1.719	76	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	126.4917	1.177	13	126.8923	1.719	76	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	126.9797	1.341	62	126.8923	1.719	76	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]O[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]O[6])(CC[6a]H)(H)	126.9260	1.363	6	126.9260	1.857	6	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]N[6,6]C[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]N[6,6]C[6])(CC[6a]H)(H)	126.4030	0.477	2	126.4030	0.227	2	126.7209	3.866	381	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Cl-1:	C(C[6a]C[6a]2)(CC[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(Cl)	C(C[6a]C[6a]2)(CC[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(Cl)	132.3837	0.709	3	132.6587	0.638	4	132.6587	0.638	4	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Cl-1:	C(C[6a]C[6a]2)(CC[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(Cl)	C(C[6a]C[6a]2)(CC[6a]Cl)(H)	C[6a](C[6a]C[6a]H)2(CCH){3|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(Cl)	133.4840	0.000	1	132.6587	0.638	4	132.6587	0.638	4	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:D-1:	C(C[6a]C[6a]2)(CC[6a]D)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(D)	C(C[6a]C[6a]2)(CC[6a]D)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(D)	127.8110	0.000	1	127.8110	0.000	1	127.8110	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:F-1:	C(C[6a]C[6a]2)(CC[6a]F)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(F)	C(C[6a]C[6a]2)(CC[6a]F)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(F)	128.4950	0.000	1	128.4950	0.000	1	128.4950	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(CCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	126.3459	2.307	10	126.3459	5.321	10	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	130.4400	0.745	3	130.4400	0.555	3	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	124.9300	0.000	1	124.9300	0.000	1	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	126.1420	1.183	4	126.5538	1.898	5	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	128.2010	0.000	1	126.5538	1.898	5	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Br)(CCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	124.6990	0.000	1	124.6990	0.000	1	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	126.1680	0.000	1	128.8693	38.616	13	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	129.0944	6.435	12	128.8693	38.616	13	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	127.3660	0.000	1	125.7752	2.208	5	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.3630	2.380	2	125.7752	2.208	5	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.3920	0.064	2	125.7752	2.208	5	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	128.7200	0.081	2	128.7200	0.006	2	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	128.4300	0.318	2	126.9579	1.599	10	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	126.8056	1.022	7	126.9579	1.599	10	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.0800	0.000	1	126.9579	1.599	10	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	127.5697	0.716	4	127.5697	0.512	4	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCH){4|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	129.7590	0.585	5	129.7590	0.343	5	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	126.1968	0.926	14	126.1968	0.857	14	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCH){2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	128.9423	0.506	4	128.9423	0.256	4	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	127.8460	0.000	1	127.8460	0.000	1	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.3520	0.000	1	127.2775	8.283	11	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	128.0696	1.574	8	127.2775	8.283	11	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.0720	6.858	2	127.2775	8.283	11	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	124.6990	0.000	1	124.6990	0.000	1	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.9340	0.000	1	131.7192	10.466	5	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	133.1655	0.096	4	131.7192	10.466	5	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	126.8060	0.000	1	127.1640	0.256	2	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	127.5220	0.000	1	127.1640	0.256	2	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	128.3002	4.138	16	127.3108	16.946	26	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	127.3060	7.387	3	127.3108	16.946	26	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.0516	1.019	7	127.3108	16.946	26	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	125.0370	0.000	1	125.0370	0.000	1	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	121.5223	5.009	7	127.6801	7.133	177	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	128.2859	2.140	142	127.6801	7.133	177	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|O<2>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.0646	0.803	5	127.6801	7.133	177	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	126.5037	1.639	19	127.6801	7.133	177	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.8085	2.334	4	127.6801	7.133	177	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	127.7375	0.972	2	127.7375	0.945	2	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	127.4255	1.678	2	127.4255	2.816	2	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	126.1367	1.439	6	126.0536	1.517	11	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(CCH){1|C<3>,2|O<2>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.2150	0.580	2	126.0536	1.517	11	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(CCH){1|N<2>,2|C<4>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	126.4467	1.135	3	126.0536	1.517	11	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.4790	0.000	1	128.4269	3.453	25	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){1|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	124.8175	1.088	2	128.4269	3.453	25	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	127.9340	0.945	10	128.4269	3.453	25	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	129.6849	1.261	12	128.4269	3.453	25	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	124.7230	0.000	1	124.7230	0.000	1	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.6075	0.271	2	125.9030	0.299	3	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	126.4940	0.000	1	125.9030	0.299	3	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	126.6370	0.000	1	126.6370	0.000	1	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Cl)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Cl)2(CCH){1|C<3>,2|O<2>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.3300	0.000	1	125.3300	0.000	1	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,2|F<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	127.0430	0.000	1	127.0430	0.000	1	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]F)2(CCH)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	125.7520	0.099	2	125.7520	0.010	2	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]F)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	127.0893	1.482	15	127.2781	2.147	18	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]F)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	126.9220	0.000	1	127.2781	2.147	18	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]F)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|I<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	128.8720	0.000	2	127.2781	2.147	18	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]F)2(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	129.0315	0.576	2	129.0315	0.332	2	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Ga)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	138.4145	0.015	2	138.4145	0.000	2	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(C[6a]C[5a,6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[5a,6a]N[6a])(CC[6a]H)(H)	123.8670	0.000	1	123.8670	0.000	1	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	123.4500	0.000	1	123.4500	0.000	1	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	127.2414	0.933	162	127.0921	1.369	170	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	123.3115	0.504	4	127.0921	1.369	170	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	124.8255	1.733	4	127.0921	1.369	170	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	124.9983	1.233	3	124.9983	1.521	3	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	128.8185	1.003	2	128.8185	1.007	2	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	129.1510	0.000	1	129.1510	0.000	1	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|Br<1>,1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	122.6150	0.000	1	127.0619	4.528	37	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|C<4>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	128.7210	0.000	1	127.0619	4.528	37	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	127.2890	2.037	25	127.0619	4.528	37	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	126.8910	2.166	9	127.0619	4.528	37	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|N<2>,2|C<4>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.7130	0.000	1	127.0619	4.528	37	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	127.7873	1.949	7	127.7873	3.798	7	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	128.2174	3.790	16	128.2174	14.366	16	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.5096	1.648	15	125.5096	2.717	15	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH){1|C<3>,1|H<1>}	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	127.0340	0.000	1	127.0340	0.000	1	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	126.7681	0.799	10	126.7681	0.639	10	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	123.3167	3.825	3	123.3167	14.627	3	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCH){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	125.6015	0.073	2	125.6015	0.005	2	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	126.7992	0.948	9	126.7992	0.899	9	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	126.8902	1.092	6	126.2106	1.997	12	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	125.5310	1.446	6	126.2106	1.997	12	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	127.1550	0.000	1	127.4320	2.711	40	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	128.9560	0.000	1	127.4320	2.711	40	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|F<1>}	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	127.7270	0.000	1	127.4320	2.711	40	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	127.8934	1.558	26	127.4320	2.711	40	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	126.6272	1.423	5	127.4320	2.711	40	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|H<1>}	C(C[6a]C[6a,6a]2)(CC[6a]H)(H)	125.8463	1.452	6	127.4320	2.711	40	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a,6a]C[6,6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a,6a]C[6,6a])(CC[6a]H)(H)	127.7480	0.000	1	127.7480	0.000	1	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	127.4870	0.000	1	126.9426	1.715	30	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	126.4785	0.880	2	126.9426	1.715	30	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	126.9617	1.389	26	126.9426	1.715	30	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(H)	126.8320	0.000	1	126.9426	1.715	30	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	126.7032	4.982	5	126.4453	4.620	873	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Br<1>,1|C<3>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	126.6550	0.000	1	126.4453	4.620	873	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	126.3280	0.000	1	126.4453	4.620	873	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	126.7727	1.083	10	126.4453	4.620	873	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.3265	0.018	2	126.4453	4.620	873	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	128.3830	2.201	2	126.4453	4.620	873	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	127.5911	1.927	21	126.4453	4.620	873	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	126.7216	1.582	8	126.4453	4.620	873	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	126.8147	2.277	407	126.4453	4.620	873	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	127.0666	1.640	46	126.4453	4.620	873	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.8656	2.525	11	126.4453	4.620	873	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	126.3930	0.996	3	126.4453	4.620	873	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.8650	1.923	347	126.4453	4.620	873	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|N<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	127.3885	1.870	2	126.4453	4.620	873	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){2|Br<1>,1|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	124.7120	0.000	1	126.4453	4.620	873	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){3|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	125.8137	1.184	6	126.4453	4.620	873	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	126.9862	1.205	4	127.1995	0.920	61	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	126.2260	0.000	1	127.1995	0.920	61	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	126.7085	0.493	2	127.1995	0.920	61	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	126.9835	0.922	4	127.1995	0.920	61	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	127.2798	0.977	49	127.1995	0.920	61	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	126.9350	0.000	1	127.1995	0.920	61	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]O[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]O[6a])(CC[6a]H)(H)	127.2470	0.391	4	127.2470	0.153	4	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]N[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]N[6a]2)(CC[6a]H)(H)	127.2710	0.000	1	127.2710	0.000	1	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]N[6a]O[6a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]N[6a]O[6a])(CC[6a]H)(H)	128.3125	1.691	2	128.3125	2.858	2	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]N)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]N)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	124.4513	0.280	3	123.9842	6.226	10	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]N)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]N)2(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	123.7840	3.026	7	123.9842	6.226	10	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	128.2460	0.000	1	128.2460	0.000	1	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	127.6720	0.000	1	127.6720	0.000	1	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]O)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]O)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	129.9260	0.956	2	129.2370	1.881	3	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]O)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]O)2(CCH){1|C<3>,2|O<2>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	127.8590	0.000	1	129.2370	1.881	3	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	130.5735	2.566	8	130.6008	5.129	10	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	130.7100	0.177	2	130.6008	5.129	10	126.8713	5.282	1699	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:F-1:	C(C[6a]C[6a]2)(CN[5]F)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(N[5]C[5]2)(CC[6a]H)(F)	C(C[6a]C[6a]2)(CN[5]F)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CC[6a]H)(F)	129.5870	0.000	1	129.5870	0.000	1	129.5870	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CN[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(N[5]C[5]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CN[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CC[6a]H)(H)	125.6366	2.902	5	125.6366	8.420	5	125.6366	8.420	5	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CN[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(N[5a]C[5a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CN[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C(N[5a]C[5a,6a]2)(CC[6a]H)(H)	123.5710	0.000	1	125.2398	0.970	6	125.3813	0.949	7	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CN[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(N[5a]C[5a,6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CN[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]2)(CC[6a]H)(H)	125.5736	0.614	5	125.2398	0.970	6	125.3813	0.949	7	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CN[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(N[5a]C[5a]N[5a])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CN[5a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]H)(H)	126.2300	0.000	1	126.2300	0.000	1	125.3813	0.949	7	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CN[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(N[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CN[6a]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(CC[6a]H)(H)	124.1930	1.860	3	124.1930	3.460	3	124.1930	3.460	3	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	P[4]-3:C-3:H-1:	C(C[6a]C[6a]2)(CP[4]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(P[4]C[4,6a]C[4])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CP[4]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(P[4]C[4,6a]C[4])(CC[6a]H)(H)	131.4440	0.000	1	131.4440	0.000	1	131.4440	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCH){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(H)	122.5080	0.000	1	122.5080	0.000	1	122.5080	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:I-1:	C(C[6a]C[6a]2)(CCI)(I)	C[6a](C[6a]C[6a]H)2(CCI)	C(CC[6a]I)(COO)(I)	C(C[6a]C[6a]2)(CCI)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	C(CC[6a]I)(COO)(I)	126.1470	0.000	1	126.1470	0.000	1	126.1470	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:F-1:	C(C[6a]C[6a]2)(CFN)(I)	C[6a](C[6a]C[6a]H)2(CCI)	C(CC[6a]I)(NCS)(F)	C(C[6a]C[6a]2)(CFN)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	C(CC[6a]I)(NCS)(F)	123.2860	0.000	1	123.2860	0.000	1	123.2860	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:I-1:	C(C[6a]C[6a]2)(CC[6a]I)(I)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCI)	C(C[6a]C[6a]2)(CC[6a]I)(I)	C(C[6a]C[6a]2)(CC[6a]I)(I)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCI){2|C<3>}	C(C[6a]C[6a]2)(CC[6a]I)(I)	128.1030	1.172	2	128.1030	1.374	2	127.5182	1.417	5	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:I-1:	C(C[6a]C[6a]2)(CC[6a]I)(I)	C[6a](C[6a]C[6a]H)2(CCI)	C(C[6a]C[6a]2)(CC[6a]I)(I)	C(C[6a]C[6a]2)(CC[6a]I)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]I)(I)	127.1283	1.255	3	127.1283	1.576	3	127.5182	1.417	5	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[5a,6a]C[6a])(CC[6a]O)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C(C[6a]C[5a,6a]C[6a])(CC[6a]O)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(CCO){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]O)(O)	116.0050	0.000	1	116.0050	0.000	1	116.0050	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6,6a]C[6a])(CCH)(O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6,6a]C[6a])(CCH)(O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	C(CC[6a]H)(CC[6a]O)(H)	119.6300	0.000	1	120.5565	1.717	2	122.2945	2.665	6	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6,6a]C[6a])(CCH)(O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6,6a]C[6a])(CCH)(O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CCO){1|C<3>,3|C<4>}	C(CC[6a]H)(CC[6a]O)(H)	121.4830	0.000	1	120.5565	1.717	2	122.2945	2.665	6	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6,6a]C[6a])(CCH)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6,6a]C[6a])(CCH)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6,6a]O)(CCO){1|C<4>,3|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	123.0515	1.518	2	123.0515	2.305	2	122.2945	2.665	6	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6,6a]C[6a])(CCH)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6,6a]C[6a])(CCH)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	C(CC[6a]H)(CC[6a]O)(H)	123.2755	0.436	2	123.2755	0.190	2	122.2945	2.665	6	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(CCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCO){2|H<1>,5|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	119.6843	1.308	12	119.6843	1.710	12	118.9964	3.440	15	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCO)	C(CC[6a]O)(CC[6]H)(H)	C(C[6a]C[6a,6a]2)(CCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCO){2|H<1>,5|C<3>}	C(CC[6a]O)(CC[6]H)(H)	116.5370	0.000	1	116.5370	0.000	1	118.9964	3.440	15	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCO)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a,6a]2)(CCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCO){2|H<1>,5|C<3>}	C(CC[6a]O)(CSS)(H)	116.0990	0.914	2	116.0990	0.835	2	118.9964	3.440	15	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	C(CC[5a]H)(CC[6a]O)(H)	117.4510	0.000	1	117.4510	0.000	1	118.5484	1.261	5	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	118.5560	1.301	2	118.5560	1.693	2	118.5484	1.261	5	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CC[3]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	C(CC[6a]O)(CC[3]O)(H)	119.9730	0.000	1	119.9730	0.000	1	118.5484	1.261	5	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	C(CC[6a]O)(CSS)(H)	118.2060	0.000	1	118.2060	0.000	1	118.5484	1.261	5	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a,6a]C[6a])(CNO)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(NCC)(O)	C(C[6a]C[6a,6a]C[6a])(CNO)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	C(CC[6a]O)(NCC)(O)	118.5230	0.000	1	118.5230	0.000	1	118.5230	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:O-1:	C(C[6a]C[6a,6a]C[6a])(CC[5a]O)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(C[5a]N[5a]S[5a])(CC[6a]O)(O)	C(C[6a]C[6a,6a]C[6a])(CC[5a]O)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	C(C[5a]N[5a]S[5a])(CC[6a]O)(O)	118.0790	0.000	1	118.0790	0.000	1	118.0790	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]O)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C(C[6a]C[6a,6a]C[6a])(CC[6a]O)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]O)(O)	114.8885	2.457	2	114.8885	6.038	2	114.8885	6.038	2	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:Br-1:	C(C[6a]C[6a]2)(CBrC)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(CC[6a]H)(CC[6a]O)(Br)	C(C[6a]C[6a]2)(CBrC)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,1|F<1>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(Br)	118.2647	0.427	4	118.2647	0.182	4	118.3924	0.385	9	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:Br-1:	C(C[6a]C[6a]2)(CBrC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]H)(CC[6a]O)(Br)	C(C[6a]C[6a]2)(CBrC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(Br)	118.7940	0.456	4	118.7940	0.208	4	118.3924	0.385	9	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:Br-1:	C(C[6a]C[6a]2)(CBrC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCH)(Br)	C(C[6a]C[6a]2)(CBrC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCH)(Br)	117.2970	0.000	1	117.2970	0.000	1	118.3924	0.385	9	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:Cl-1:	C(C[6a]C[6a]2)(CClC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[5a]H)(CC[6a]O)(Cl)	C(C[6a]C[6a]2)(CClC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[5a]H)(CC[6a]O)(Cl)	119.1600	0.419	2	119.1600	0.175	2	119.4642	2.115	9	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:Cl-1:	C(C[6a]C[6a]2)(CClC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]H)(CC[6a]O)(Cl)	C(C[6a]C[6a]2)(CClC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(Cl)	119.7290	0.994	3	119.7290	0.987	3	119.4642	2.115	9	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:Cl-1:	C(C[6a]C[6a]2)(CClC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CClC)(Cl)	C(C[6a]C[6a]2)(CClC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CClC)(Cl)	119.4177	2.188	4	119.4177	4.789	4	119.4642	2.115	9	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:F-1:	C(C[6a]C[6a]2)(CCF)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCH)(F)	C(C[6a]C[6a]2)(CCF)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCH)(F)	120.1370	0.000	1	120.1370	0.000	1	122.4808	7.921	4	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:F-1:	C(C[6a]C[6a]2)(CCF)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CFH)(F)	C(C[6a]C[6a]2)(CCF)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CFH)(F)	119.9660	0.000	1	119.9660	0.000	1	122.4808	7.921	4	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:F-1:	C(C[6a]C[6a]2)(CCF)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(F)	C(C[6a]C[6a]2)(CCF)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(F)	124.9100	0.380	2	124.9100	0.145	2	122.4808	7.921	4	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	C(CC[5a]H)(CC[6a]O)(H)	118.6980	0.000	1	119.1635	0.433	2	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	C(CC[5a]H)(CC[6a]O)(H)	119.6290	0.000	1	119.1635	0.433	2	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CC[6a]O)(H)	119.1210	0.086	2	119.1210	0.007	2	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CC[6a]O)(H)	119.1276	0.499	12	119.1276	0.249	12	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]O)(CCC)(H)	121.0340	0.569	2	121.0340	0.323	2	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CC[6a]O)(H)	120.0760	0.000	1	119.5855	0.481	2	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	119.0950	0.000	1	119.5855	0.481	2	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|S<2>}	C(CC[6a]O)2(H)	122.2635	0.548	2	122.2635	0.300	2	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	121.0250	0.000	1	121.0250	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	120.4845	0.545	2	121.0225	0.488	6	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	121.2915	0.652	4	121.0225	0.488	6	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]O)(CCH)(H)	119.9490	0.000	1	119.9490	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]O)(CCO){1|C<3>,2|C<4>}	C(CC[6a]H)(CC[6a]O)(H)	122.1810	1.553	4	122.1810	2.413	4	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCO)	C(CC[6a]Si)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	C(CC[6a]Si)(CC[6a]O)(H)	120.7670	0.000	1	120.7670	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(CCO){2|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	119.6907	1.794	7	119.6907	3.220	7	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCO)	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCO){4|C<3>}	C(CC[5a]H)(CC[6a]O)(H)	118.6000	0.000	1	118.6000	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCO){4|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	118.9581	1.674	14	118.9581	2.801	14	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCO)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)(CCO){4|C<3>}	C(CC[6a]O)(CCH)(H)	120.3540	0.000	1	120.3540	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(CB[5x3,5x5,20x6]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	C(CB[5x3,5x5,20x6]H)(CC[6a]O)(H)	120.5910	0.000	1	120.5910	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	118.4498	0.833	16	118.4498	0.693	16	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	C(CC[6a]O)(CCC)(H)	119.5370	0.000	1	119.5370	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO){2|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	120.3890	0.000	1	120.3890	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	120.8213	0.570	6	120.8213	0.325	6	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	C(CC[6a]O)(CCH)(H)	118.9820	0.000	1	118.9820	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCO){1|C<4>,2|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	124.0880	0.000	1	124.0880	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){1|H<1>,1|O<2>,3|C<3>}	C(CC[6a]C)(CC[6a]O)(H)	116.9120	0.000	1	116.9120	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCO){2|H<1>,3|C<3>}	C(CC[6a]H)(CC[6a]O)(H)	117.4791	1.236	14	117.4791	1.529	14	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]2)2(CCO)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]2)2(CCO){2|H<1>,5|C<3>}	C(CC[6a]C)(CC[6a]O)(H)	115.9130	0.000	1	115.9130	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	119.5840	0.688	6	119.5840	0.473	6	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCN)(H)	117.5120	0.000	1	117.5120	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(CC[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]O)(H)	120.8500	0.000	1	120.8500	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CC[6a]O)(H)	118.8250	0.000	1	117.2025	5.265	2	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	115.5800	0.000	1	117.2025	5.265	2	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCH)(H)	119.0800	0.000	1	119.0800	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	118.1000	0.000	1	118.1000	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]C)2(CCO)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,2|N<3>}	C(CC[6a]O)(CSS)(H)	115.8960	0.000	1	115.8960	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[5a]H)(CC[6a]O)(H)	119.4470	0.867	5	119.4470	0.751	5	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,1|F<1>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	118.0930	1.267	2	118.6337	1.925	23	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	118.7236	1.442	20	118.6337	1.925	23	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	117.9190	0.000	1	118.6337	1.925	23	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCH)(H)	120.6310	0.000	1	120.6310	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Cl)2(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]Cl)2(CCO){1|C<3>,1|F<1>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	118.3960	0.000	1	118.3960	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	121.0083	1.090	4	121.0083	1.187	4	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]F)2(CCO)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]F)2(CCO){1|C<3>,2|F<1>}	C(CC[6a]C)(CC[6a]O)(H)	117.7420	0.000	1	117.7420	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]F)2(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]F)2(CCO){1|C<3>,2|F<1>}	C(CC[6a]H)(CC[6a]O)(H)	118.8070	0.000	1	118.8070	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	C(CC[5a]H)(CC[6a]O)(H)	120.8230	0.000	1	120.8230	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CC[6a]O)(H)	122.1010	0.000	1	119.7444	1.144	25	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	119.6462	0.970	24	119.7444	1.144	25	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCH)(H)	120.3430	0.000	1	120.3430	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	C(CC[5a]H)(CC[6a]O)(H)	121.2580	0.000	1	121.5793	0.621	3	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[5a]H)(CC[6a]O)(H)	121.0030	0.000	1	121.5793	0.621	3	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){2|Cl<1>,1|C<3>}	C(CC[5a]H)(CC[6a]O)(H)	122.4770	0.000	1	121.5793	0.621	3	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|Br<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	120.9660	0.000	1	120.5110	0.814	59	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	120.6408	0.612	6	120.5110	0.814	59	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|F<1>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	119.2305	1.119	2	120.5110	0.814	59	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CC[6a]O)(H)	120.0108	1.367	5	120.5110	0.814	59	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	120.5961	0.846	45	120.5110	0.814	59	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]O)(CCC)(H)	119.8470	0.000	1	119.8470	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCH)(H)	120.8510	0.000	1	120.5300	0.206	2	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]O)(CCH)(H)	120.2090	0.000	1	120.5300	0.206	2	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCN)(H)	120.5040	0.000	1	120.5040	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|F<1>,1|H<1>}	C(CC[6a]O)(CCO)(H)	121.7370	0.000	1	121.7370	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)(CC[5]H)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CC[5]H)(H)	120.3110	0.048	2	120.3110	0.002	2	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|F<1>,1|H<1>}	C(CC[6a]O)(CHN)(H)	120.5020	0.000	1	120.6740	0.018	5	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CHN)(H)	120.7170	0.109	4	120.6740	0.018	5	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]O)2(H)	122.0605	0.612	2	121.3675	0.225	11	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	121.2243	0.336	7	121.3675	0.225	11	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]O)2(H)	121.1760	0.126	2	121.3675	0.225	11	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCO)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCO){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]O)(H)	125.9605	2.224	2	125.9605	4.946	2	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCO)	C(CC[6a]O)(CSiH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CSiH)(H)	117.1790	0.000	1	117.1790	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO)	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO){1|C<3>,1|H<1>}	C(CC[5a]H)(CC[6a]O)(H)	119.7980	0.000	2	119.7980	0.000	2	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO){1|C<3>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	118.9832	0.310	6	118.9832	0.096	6	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO){1|C<3>,1|H<1>}	C(CC[6a]O)(CSS)(H)	117.4430	0.000	1	117.4430	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CB[5x3,5x5,20x6]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CB[5x3,5x5,20x6]H)(CC[6a]O)(H)	120.6972	1.321	6	120.6972	1.745	6	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[5a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[5a]C)(CC[6a]O)(H)	119.3785	0.911	2	119.3785	0.831	2	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[5a]C[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CC[6a]O)(H)	117.7760	0.000	1	117.7760	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	C(CC[5a]H)(CC[6a]O)(H)	119.6740	0.000	1	118.9928	0.432	40	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	C(CC[5a]H)(CC[6a]O)(H)	118.5030	0.000	1	118.9928	0.432	40	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[5a]H)(CC[6a]O)(H)	118.9988	0.656	36	118.9928	0.432	40	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|O<2>}	C(CC[5a]H)(CC[6a]O)(H)	119.4990	0.000	1	118.9928	0.432	40	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[5a]H)(CC[6a]O)(H)	118.0800	0.000	1	118.9928	0.432	40	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6,6]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6,6]H)(CC[6a]O)(H)	118.7800	0.000	1	118.7800	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]Br)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]Br)(CC[6a]O)(H)	117.7690	0.000	1	117.7690	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]O)(H)	117.9850	1.540	6	117.9850	2.373	6	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]Cl)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]Cl)(CC[6a]O)(H)	117.3705	0.961	2	117.3705	0.923	2	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Br<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	118.1953	1.077	11	119.0954	0.907	305	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<2>,1|C<3>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	117.4090	0.000	1	119.0954	0.907	305	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	119.2660	0.000	1	119.0954	0.907	305	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|F<1>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	118.2450	0.000	1	119.0954	0.907	305	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]H)(CC[6a]O)(H)	119.4280	0.610	10	119.0954	0.907	305	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CC[6a]O)(H)	119.6792	0.937	27	119.0954	0.907	305	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|F<1>}	C(CC[6a]H)(CC[6a]O)(H)	119.7365	0.438	2	119.0954	0.907	305	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	119.0755	0.929	232	119.0954	0.907	305	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|O<2>}	C(CC[6a]H)(CC[6a]O)(H)	119.9040	0.347	4	119.0954	0.907	305	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	118.5971	0.969	9	119.0954	0.907	305	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|N<2>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	118.7743	0.424	7	119.0954	0.907	305	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]N)(CC[6a]O)(H)	118.6410	0.000	1	118.4424	0.992	14	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]N)(CC[6a]O)(H)	118.4272	1.035	13	118.4424	0.992	14	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCC)(H)	119.4220	0.786	3	119.4220	0.618	3	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]O)(CCH)(H)	119.1500	0.000	1	119.3080	0.280	21	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCH)(H)	119.3159	0.542	20	119.3080	0.280	21	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCN)(H)	119.4176	0.955	24	119.4176	0.912	24	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCO)(H)	121.8795	1.765	19	121.7886	3.116	20	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){3|C<3>}	C(CC[6a]O)(CCO)(H)	120.0610	0.000	1	121.7886	3.116	20	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCS)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCS)(H)	119.6420	0.860	6	119.6420	0.739	6	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CC[5]C)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CC[5]C)(H)	120.0915	2.941	2	120.0915	8.649	2	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CC[5]H)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]O)(CC[5]H)(H)	118.5390	0.000	1	118.9688	0.252	6	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CC[5]H)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CC[5]H)(H)	119.0548	0.510	5	118.9688	0.252	6	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CC[6]C)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CC[6]C)(H)	120.1135	0.392	2	120.1135	0.154	2	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CC[6]H)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CC[6]H)(H)	119.1403	1.124	3	119.1403	1.264	3	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CC[6]N)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CC[6]N)(H)	118.6820	0.222	2	118.6820	0.049	2	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CC[6]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CC[6]O)(H)	122.1060	0.000	1	122.1060	0.000	1	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CC[6a]S)(H)	118.9323	2.309	3	118.9323	5.332	3	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CClC)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CClC)(H)	118.5870	0.000	2	118.5870	0.000	2	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CHN)(H)	120.1055	1.853	4	119.8034	3.032	5	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|N<2>,2|H<1>}	C(CC[6a]O)(CHN)(H)	118.5950	0.000	1	119.8034	3.032	5	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CNN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CNN)(H)	118.1335	0.323	2	118.1335	0.104	2	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CSS)(H)	117.8657	1.817	7	118.1910	3.675	8	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|N<2>,2|H<1>}	C(CC[6a]O)(CSS)(H)	120.4680	0.000	1	118.1910	3.675	8	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	121.9755	2.582	49	122.0051	6.436	51	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|O<2>}	C(CC[6a]O)2(H)	122.0930	0.000	1	122.0051	6.436	51	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|H<1>,2|C<3>}	C(CC[6a]O)2(H)	123.3670	0.000	1	122.0051	6.436	51	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCO)	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CCO){1|C<3>,1|H<1>}	C(CC[5a]H)(CC[6a]O)(H)	123.2325	0.129	2	123.2325	0.017	2	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]O)2(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	123.0350	0.000	1	122.6448	1.494	17	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]O)2(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|H<1>,1|I<1>}	C(CC[6a]H)(CC[6a]O)(H)	124.0850	0.000	1	122.6448	1.494	17	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]O)2(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CC[6a]O)(H)	123.0180	0.607	3	122.6448	1.494	17	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]O)2(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|C<4>}	C(CC[6a]H)(CC[6a]O)(H)	122.9940	0.160	2	122.6448	1.494	17	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]O)2(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	122.2799	1.450	10	122.6448	1.494	17	119.6363	2.784	832	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:I-1:	C(C[6a]C[6a]2)(CCI)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(CC[6a]2)(CC[6a]O)(I)	C(C[6a]C[6a]2)(CCI)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]O)(I)	118.8660	0.000	1	118.8660	0.000	1	119.6610	0.896	4	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:I-1:	C(C[6a]C[6a]2)(CCI)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]N[5a])(CC[6a]O)(I)	C(C[6a]C[6a]2)(CCI)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]N[5a])(CC[6a]O)(I)	120.2855	1.034	2	120.2855	1.070	2	119.6610	0.896	4	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:I-1:	C(C[6a]C[6a]2)(CCI)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCI)(I)	C(C[6a]C[6a]2)(CCI)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCI)(I)	119.2070	0.000	1	119.2070	0.000	1	119.6610	0.896	4	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-1:	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]C[5])(CC[6a]O)(O)	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CC[6a]O)(O)	118.7830	2.440	4	118.7830	5.952	4	118.8484	3.117	7	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-1:	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCP)(O)	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCP)(O)	118.8895	0.890	2	118.8895	0.793	2	118.8484	3.117	7	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-1:	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CNO)(O)	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CNO)(O)	119.0280	0.000	1	119.0280	0.000	1	118.8484	3.117	7	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NPtO)(H)	C(C[6a]C[6a]2)(CHN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NPtO)(H)	118.2790	0.000	1	118.2790	0.000	1	118.2790	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(NC[6]H)(O)	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6]H)(O)	116.6640	0.000	1	116.6640	0.000	1	118.5492	2.705	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]H)(O)	116.9360	0.000	1	116.9360	0.000	1	118.5492	2.705	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(CC[6a]O)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NCH)(O)	118.1590	0.000	1	118.1590	0.000	1	118.5492	2.705	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(CC[6a]O)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]H)(O)	117.2160	0.000	1	117.2160	0.000	1	118.5492	2.705	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NCC)(O)	118.3570	0.000	1	118.3570	0.000	1	118.5492	2.705	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NCH)(O)	121.5185	0.030	2	121.5185	0.001	2	118.5492	2.705	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NCC)(O)	117.4184	1.016	8	117.5884	1.036	11	118.5492	2.705	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|H<1>,2|C<3>}	C(CC[6a]O)(NCC)(O)	118.0417	1.071	3	117.5884	1.036	11	118.5492	2.705	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NCH)(O)	119.1732	2.077	5	119.1732	4.314	5	118.5492	2.705	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NCS)(O)	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NCS)(O)	117.1790	0.000	1	117.1790	0.000	1	118.5492	2.705	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NC[6]H)(O)	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6]H)(O)	119.4390	0.000	1	119.4390	0.000	1	118.5492	2.705	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]C)(O)	118.3653	0.686	7	118.3653	0.470	7	118.5492	2.705	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]H)(O)	120.7583	1.630	4	120.7583	2.656	4	118.5492	2.705	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NHN)(O)	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NHN)(O)	119.3060	0.000	1	119.3060	0.000	1	118.5492	2.705	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NPdN)(O)	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NPdN)(O)	117.6470	0.000	1	117.6470	0.000	1	118.5492	2.705	38	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:Se-1:	C(C[6a]C[6a]2)(CSeN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)(NCC)(Se)	C(C[6a]C[6a]2)(CSeN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NCC)(Se)	120.9155	2.169	2	120.9155	4.703	2	119.9330	2.869	4	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:Se-1:	C(C[6a]C[6a]2)(CSeN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NCC)(Se)	C(C[6a]C[6a]2)(CSeN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NCC)(Se)	118.9505	0.203	2	118.9505	0.041	2	119.9330	2.869	4	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:P-3:H-1:	C(C[6a]C[6a]2)(CHP)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(PC[6a]2)(H)	C(C[6a]C[6a]2)(CHP)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(PC[6a]2)(H)	123.6147	0.723	3	123.6147	0.523	3	123.6147	0.523	3	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	C(C[5]N[5]S[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	C(C[5]N[5]S[5])(CC[6a]O)(H)	118.7330	0.000	1	118.7330	0.000	1	118.9009	1.446	43	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	C(C[5]C[5,6a]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5])(CC[6a]O)(H)	119.0330	0.000	1	119.0330	0.000	1	118.9009	1.446	43	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(C[5]N[5]S[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	C(C[5]N[5]S[5])(CC[6a]O)(H)	118.6070	0.000	1	118.6070	0.000	1	118.9009	1.446	43	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[5]C[5]N[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	C(C[5]C[5]N[5])(CC[6a]O)(H)	118.4260	0.000	1	118.4260	0.000	1	118.9009	1.446	43	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]C[5,6]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]C[5,6]C[5])(CC[6a]O)(H)	118.8150	0.000	1	118.8150	0.000	1	118.9009	1.446	43	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]C[5,6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]C[5,6a]2)(CC[6a]O)(H)	118.4020	0.000	1	118.4020	0.000	1	118.9009	1.446	43	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]C[5,6a]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(CC[6a]O)(H)	118.4551	0.524	10	118.4357	0.251	11	118.9009	1.446	43	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]C[5,6a]C[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|N<2>,2|H<1>}	C(C[5]C[5,6a]C[5])(CC[6a]O)(H)	118.2420	0.000	1	118.4357	0.251	11	118.9009	1.446	43	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]C[5,6a]N[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]C[5,6a]N[5])(CC[6a]O)(H)	118.6320	0.000	1	118.6320	0.000	1	118.9009	1.446	43	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]C[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]C[5]2)(CC[6a]O)(H)	119.7720	0.000	1	119.7720	0.000	1	118.9009	1.446	43	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]C[5]N[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]C[5]N[5])(CC[6a]O)(H)	118.5630	1.440	4	118.5630	2.074	4	118.9009	1.446	43	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]C[5]S[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]C[5]S[5])(CC[6a]O)(H)	122.1790	1.134	3	121.1993	4.697	4	118.9009	1.446	43	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]C[5]S[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Cl<1>,1|C<3>,1|H<1>}	C(C[5]C[5]S[5])(CC[6a]O)(H)	118.2600	0.000	1	121.1993	4.697	4	118.9009	1.446	43	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]N[5]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]N[5]2)(CC[6a]O)(H)	118.9765	0.441	4	118.9765	0.195	4	118.9009	1.446	43	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]N[5]O[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]N[5]O[5])(CC[6a]O)(H)	118.5742	1.284	6	118.5742	1.649	6	118.9009	1.446	43	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]N[5]S[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]N[5]S[5])(CC[6a]O)(H)	118.8540	0.772	6	118.8540	0.597	6	118.9009	1.446	43	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	C(C[5a]N[5a]S[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5a]H)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	C(C[5a]N[5a]S[5a])(CC[6a]O)(H)	118.5865	1.232	2	118.5865	1.519	2	118.5865	1.519	2	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[5a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(O)	C(C[6a]C[6a]2)(CC[5a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(O)	119.2035	0.203	2	119.2035	0.041	2	118.7195	0.809	4	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[5a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5a]C[5a]N[5a])(CC[6a]O)(O)	C(C[6a]C[6a]2)(CC[5a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a]O)(O)	117.3840	0.000	1	117.3840	0.000	1	118.7195	0.809	4	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[5a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5a]N[5a,6a]C[5a])(CC[6a]O)(O)	C(C[6a]C[6a]2)(CC[5a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5a]N[5a,6a]C[5a])(CC[6a]O)(O)	119.0870	0.000	1	119.0870	0.000	1	118.7195	0.809	4	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6]N[5a,6]S[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(C[6]N[5a,6]S[6])(CC[6a]O)(H)	118.0220	1.134	2	118.0220	1.286	2	119.0407	3.014	24	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6]C[6,6a]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6]C[6,6a]N[6])(CC[6a]O)(H)	115.9533	0.885	3	115.9533	0.783	3	119.0407	3.014	24	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6]C[6,6a]S[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6,6a]S[6])(CC[6a]O)(H)	121.0780	0.000	1	121.0780	0.000	1	119.0407	3.014	24	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Br<1>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	120.2920	0.000	1	120.0058	1.241	13	119.0407	3.014	24	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	118.8375	0.293	2	120.0058	1.241	13	119.0407	3.014	24	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	120.2109	1.134	10	120.0058	1.241	13	119.0407	3.014	24	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6]C[6]S[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6]C[6]S[6])(CC[6a]O)(H)	118.4377	0.898	4	118.4377	0.806	4	119.0407	3.014	24	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6]N[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6]N[6]2)(CC[6a]O)(H)	118.1680	0.000	1	118.1680	0.000	1	119.0407	3.014	24	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]O)(O)	119.4190	0.000	1	119.4190	0.000	1	119.4165	1.799	51	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]O)(O)	118.6890	0.000	1	118.6890	0.000	1	119.4165	1.799	51	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]O)(O)	117.4170	0.000	1	117.4170	0.000	1	119.4165	1.799	51	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]O)(O)	122.6045	2.092	2	121.2450	4.064	4	119.4165	1.799	51	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(O)	119.8855	0.650	2	121.2450	4.064	4	119.4165	1.799	51	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]C)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(O)	117.2930	0.000	1	117.2930	0.000	1	119.4165	1.799	51	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(O)	119.3350	0.000	1	119.3350	0.000	1	119.4165	1.799	51	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(O)	120.5703	1.098	3	120.5703	1.205	3	119.4165	1.799	51	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[5a,6a]C[6a])(CC[6a]O)(O)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(CC[6a]O)(O)	120.5960	0.000	1	120.5960	0.000	1	119.4165	1.799	51	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a,6a]C[6a])(CC[6a]O)(O)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]O)(O)	117.3995	1.111	2	117.3995	1.234	2	119.4165	1.799	51	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(O)	120.5480	0.000	1	119.3633	1.083	35	119.4165	1.799	51	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|I<1>}	C(C[6a]C[6a]2)(CC[6a]O)(O)	120.7840	0.000	1	119.3633	1.083	35	119.4165	1.799	51	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a]O)(O)	120.1070	0.000	1	119.3633	1.083	35	119.4165	1.799	51	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(CC[6a]O)(O)	118.4530	1.211	2	119.3633	1.083	35	119.4165	1.799	51	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(O)	119.2918	1.040	28	119.3633	1.083	35	119.4165	1.799	51	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a]O)(O)	119.6005	0.515	2	119.3633	1.083	35	119.4165	1.799	51	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]N[6a])(CC[6a]O)(O)	C(C[6a]C[6a]2)(CC[6a]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]O)(O)	118.2880	0.000	1	118.2880	0.000	1	119.4165	1.799	51	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:O-1:	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(NC[6a]C[6])(CC[6a]O)(O)	C(C[6a]C[6a]2)(CNO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(NC[6a]C[6])(CC[6a]O)(O)	117.2560	0.000	1	117.2560	0.000	1	117.2560	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:O-1:	C(C[6a]C[6a]2)(CN[5]O)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(N[5]C[5]2)(CC[6a]O)(O)	C(C[6a]C[6a]2)(CN[5]O)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CC[6a]O)(O)	122.1250	0.508	2	122.1250	0.258	2	122.1250	0.258	2	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:Br-1:	C(C[6a]C[6a]2)(CN[6]Br)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(N[6]C[6]2)(CC[6a]O)(Br)	C(C[6a]C[6a]2)(CN[6]Br)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	C(N[6]C[6]2)(CC[6a]O)(Br)	118.4130	0.000	1	118.4130	0.000	1	118.3025	0.024	2	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:Br-1:	C(C[6a]C[6a]2)(CN[6]Br)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(N[6]C[6]2)(CC[6a]O)(Br)	C(C[6a]C[6a]2)(CN[6]Br)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	C(N[6]C[6]2)(CC[6a]O)(Br)	118.1920	0.000	1	118.1920	0.000	1	118.3025	0.024	2	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CN[6]H)(O)	C[6a](C[6a]C[6a]F)2(CCO)	C(N[6]C[6]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CN[6]H)(O)	C[6a](C[6a]C[6a]F)2(CCO){1|C<3>,2|F<1>}	C(N[6]C[6]2)(CC[6a]O)(H)	114.2300	0.000	1	114.2300	0.000	1	114.2300	0.000	1	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:O-1:	C(C[6a]C[6a]2)(CN[6]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(N[6]C[6]2)(CC[6a]O)(O)	C(C[6a]C[6a]2)(CN[6]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(N[6]C[6]2)(CC[6a]O)(O)	118.2875	0.660	4	118.2875	0.435	4	118.2875	0.435	4	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:S-1:	C(C[6a]C[6a]2)(CN[6]S)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(N[6]C[6]2)(CC[6a]O)(S)	C(C[6a]C[6a]2)(CN[6]S)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(N[6]C[6]2)(CC[6a]O)(S)	118.3477	0.174	3	118.3477	0.030	3	118.3477	0.030	3	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(S)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CCH)(S)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]O)(CC[6a]S)(H)	117.5700	0.000	1	117.5700	0.000	1	120.9345	22.640	2	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(S)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(CNS)(H)	C(C[6a]C[6a]2)(CCH)(S)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(CNS)(H)	124.2990	0.000	1	124.2990	0.000	1	120.9345	22.640	2	125.5040	12.766	5424	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(Cl)	C[6a](C[6a]C[6a]H)2(CClC)	C(C[6a]C[6a]2)(CC[6a]Cl)(SC)	C(C[6a]C[6a]2)(CC[6a]S)(Cl)	C[6a](C[6a]C[6a]H)2(CClC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]Cl)(SC)	128.0270	0.000	1	128.0270	0.000	1	128.0270	0.000	1	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CN)	130.2310	0.000	1	130.2310	0.000	1	130.2310	0.000	1	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[5a,6a]C[6a])(CC[6a]C)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(C[6a]C[5a,6a]C[6a])(CC[6a]C)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C(C[6a]C[6a]2)(CC[6a]H)(CN)	130.6590	1.260	3	130.6590	1.587	3	130.6590	1.587	3	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a,6a]C[6,6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(CCH)	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a,6a]C[6,6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])(CCH){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C(CC[6a]H)(COO)(CN)	128.4940	0.000	1	128.4940	0.000	1	128.4940	0.000	1	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[5a]-3:C-3:C-2:	C(C[6a]C[6a,6a]2)(CC[5a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(C[5a]N[5a]S[5a])(CC[6a]H)(CN)	C(C[6a]C[6a,6a]2)(CC[5a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(C[5a]N[5a]S[5a])(CC[6a]H)(CN)	125.2160	0.000	1	125.2160	0.000	1	125.2160	0.000	1	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,1|N<3>,3|C<3>}	C(CC[6a]H)(COO)(CN)	127.9880	0.000	1	127.9880	0.000	1	122.0360	16.406	7	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,1|N<3>,3|C<3>}	C(CC[6a]H)(COO)(CN)	120.4114	3.358	5	121.0440	11.421	6	122.0360	16.406	7	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,1|O<2>,3|C<3>}	C(CC[6a]H)(COO)(CN)	124.2070	0.000	1	121.0440	11.421	6	122.0360	16.406	7	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH)	C(CC[6a]H)(CCO)(OC)	C(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH){2|H<1>,3|C<3>}	C(CC[6a]H)(CCO)(OC)	134.3880	0.040	2	134.3880	0.002	2	134.3880	0.002	2	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(CN)	128.1837	0.682	3	128.1837	0.465	3	128.1837	0.465	3	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	B[5]-3:C-3:S-2:	C(C[6a]C[6a]2)(CB[5]S)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(B[5]O[5]2)(CC[6a]H)(SC[6a])	C(C[6a]C[6a]2)(CB[5]S)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(B[5]O[5]2)(CC[6a]H)(SC[6a])	129.6300	0.000	1	129.6300	0.000	1	129.6300	0.000	1	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(COO)(CN)	125.0560	0.000	1	125.0560	0.000	1	131.0663	2.082	79	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CNS)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(CNS)(CN)	131.6340	0.000	1	131.6340	0.000	1	131.0663	2.082	79	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(CC[6a]H)(COO)(CN)	131.2150	0.000	1	131.2150	0.000	1	131.0663	2.082	79	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	C(CC[5a]O)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[5a]O)(CC[6a]H)(CN)	129.7180	0.000	1	129.7180	0.000	1	131.0663	2.082	79	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(CN)	126.3490	0.000	1	126.3490	0.000	1	131.0663	2.082	79	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)(CN)	129.4352	0.395	4	129.4352	0.156	4	131.0663	2.082	79	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(CNO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CNO)(CN)	128.9860	0.000	1	128.9860	0.000	1	131.0663	2.082	79	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)(CN)	126.2890	0.000	1	126.2890	0.000	1	131.0663	2.082	79	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CHO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHO)(CN)	132.2450	0.000	1	132.2450	0.000	1	131.0663	2.082	79	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CNO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CNO)(CN)	132.3353	0.418	3	132.3353	0.175	3	131.0663	2.082	79	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(COO)(CN)	130.3040	0.660	2	130.8813	1.218	3	131.0663	2.082	79	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)(CN)	132.0360	0.000	1	130.8813	1.218	3	131.0663	2.082	79	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]C)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]H)(CC)	130.9121	0.810	8	130.9121	0.657	8	131.0663	2.082	79	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCH)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CCH)(CN)	131.0030	0.000	1	131.2250	0.099	2	131.0663	2.082	79	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCH)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCH)(CN)	131.4470	0.000	1	131.2250	0.099	2	131.0663	2.082	79	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CNO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]H)(CNO)(CN)	130.5510	0.000	1	131.8470	1.277	14	131.0663	2.082	79	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CNO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CNO)(CN)	131.6280	0.000	1	131.8470	1.277	14	131.0663	2.082	79	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CNO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CNO)(CN)	131.9733	1.156	12	131.8470	1.277	14	131.0663	2.082	79	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CNS)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CNS)(CN)	131.8702	0.912	4	131.8702	0.832	4	131.0663	2.082	79	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COO)(CC)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)(CC)	131.3145	0.302	2	131.3145	0.091	2	131.0663	2.082	79	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Br<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(COO)(CN)	130.6465	0.226	2	131.3469	0.462	30	131.0663	2.082	79	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|N<3>,1|O<2>}	C(CC[6a]H)(COO)(CN)	131.1810	0.000	1	131.3469	0.462	30	131.0663	2.082	79	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)(CN)	131.4049	0.686	27	131.3469	0.462	30	131.0663	2.082	79	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(CC[6a]H)(COO)(CN)	129.2350	0.000	1	129.2350	0.000	1	131.0663	2.082	79	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-2:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(NP)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(COO)(NP)	130.8570	0.000	1	130.8570	0.000	1	129.9929	1.112	7	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-2:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCN)(NC)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCN)(NC)	131.4150	0.000	1	131.4150	0.000	1	129.9929	1.112	7	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-2:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COO)(NP)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)(NP)	129.5356	0.846	5	129.5356	0.715	5	129.9929	1.112	7	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(CCH)	C(CC[6a]H)(CHN)(OC)	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	C(CC[6a]H)(CHN)(OC)	129.4200	0.000	1	129.4200	0.000	1	129.5121	1.430	15	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCC)(OC)	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCC)(OC)	128.1640	0.000	1	128.1640	0.000	1	129.5121	1.430	15	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCH)(OC)	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCH)(OC)	129.4815	1.436	2	129.4815	2.062	2	129.5121	1.430	15	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCN)(OC)	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCN)(OC)	129.7310	0.000	1	129.7310	0.000	1	129.5121	1.430	15	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCO)(OH)	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCO)(OH)	129.6110	0.000	1	129.6110	0.000	1	129.5121	1.430	15	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]O)(OH)	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(OH)	129.9400	0.000	1	129.9400	0.000	1	129.5121	1.430	15	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COO)(OC)	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)(OC)	131.0970	1.359	3	131.0970	1.848	3	129.5121	1.430	15	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COO)(OH)	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)(OH)	128.7124	0.604	5	128.7124	0.364	5	129.5121	1.430	15	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:S-2:	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCH)	C(CC[6a]H)(CC[6a]O)(SC)	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(CC[6a]O)(SC)	130.4538	1.932	6	130.4538	3.732	6	130.2620	3.368	7	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:S-2:	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(COO)(SZn)	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)(SZn)	129.1110	0.000	1	129.1110	0.000	1	130.2620	3.368	7	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:C-2:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(NOO)(CN)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NOO)(CN)	130.6080	0.000	1	130.6080	0.000	1	130.6080	0.000	1	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:N-2:	C(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(NCS)(NS)	C(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NCS)(NS)	129.8860	0.000	1	129.8860	0.000	1	130.0700	0.068	2	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:N-2:	C(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(NC[6a]S)(NC)	C(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NC[6a]S)(NC)	130.2540	0.000	1	130.2540	0.000	1	130.0700	0.068	2	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-2:	C(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(NCS)(OC)	C(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NCS)(OC)	127.7000	0.759	2	127.7000	0.577	2	127.7000	0.577	2	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	C(C[5a]C[5a]S[5a])(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(CC[6a]H)(CN)	133.2940	0.000	1	133.2940	0.000	1	131.3965	1.790	15	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	C(C[5a]N[5a]S[5a])(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[5a]N[5a]S[5a])(CC[6a]H)(CN)	131.5120	0.000	1	131.5120	0.000	1	131.3965	1.790	15	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH)	C(C[5a]N[5a]S[5a])(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|S<2>}	C(C[5a]N[5a]S[5a])(CC[6a]H)(CN)	132.1150	0.000	1	132.1150	0.000	1	131.3965	1.790	15	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	C(C[5a]C[5a]S[5a])(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,1|F<1>,1|H<1>}	C(C[5a]C[5a]S[5a])(CC[6a]H)(CN)	130.4180	0.000	1	130.4180	0.000	1	131.3965	1.790	15	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[5a]N[5a]S[5a])(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(C[5a]N[5a]S[5a])(CC[6a]H)(CN)	132.8300	0.000	1	132.8300	0.000	1	131.3965	1.790	15	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]C[5a]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]2)(CC[6a]H)(CN)	130.1970	1.827	2	130.1970	3.339	2	131.3965	1.790	15	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]C[5a]N[5a])(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a]H)(CN)	130.4535	1.532	2	130.4535	2.348	2	131.3965	1.790	15	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]C[5a]S[5a])(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	C(C[5a]C[5a]S[5a])(CC[6a]H)(CN)	131.7260	0.000	1	131.7260	0.000	1	131.3965	1.790	15	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]N[5a]O[5a])(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]N[5a]O[5a])(CC[6a]H)(CN)	130.7155	1.911	2	130.7155	3.653	2	131.3965	1.790	15	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]N[5a]S[5a])(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]N[5a]S[5a])(CC[6a]H)(CN)	132.1070	0.827	3	132.1070	0.684	3	131.3965	1.790	15	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]C[5a]O[5a])(CC[6a]H)(OH)	C(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CC[6a]H)(OH)	128.6230	0.000	1	128.6230	0.000	1	128.6230	0.000	1	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	C(C[6]C[6]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|H<1>,4|C<3>}	C(C[6]C[6]2)(CC[6a]H)(CN)	126.5770	0.000	1	126.5770	0.000	1	130.3643	10.817	3	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(CN)	132.2580	0.344	2	132.2580	0.118	2	130.3643	10.817	3	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2)(CC[6a]H)(SC[6a])	C(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(SC[6a])	128.3960	0.000	1	128.3960	0.000	1	128.3960	0.000	1	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(CN)	132.8061	0.961	7	132.8061	0.924	7	131.1438	3.156	118	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(CC[6a]H)(CN)	132.3270	0.000	1	132.3270	0.000	1	131.1438	3.156	118	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(CC)	131.5700	0.000	1	131.5700	0.000	1	131.1438	3.156	118	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(CN)	129.7005	1.474	4	129.7005	2.172	4	131.1438	3.156	118	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(CN)	132.3940	0.000	1	132.3940	0.000	1	131.1438	3.156	118	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]C)(CCH){2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(CN)	127.7620	0.136	2	127.7620	0.018	2	131.1438	3.156	118	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(CN)	127.8010	0.000	1	127.8010	0.000	1	131.1438	3.156	118	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CN)	126.1590	0.000	1	126.8212	0.413	5	131.1438	3.156	118	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]H)(CN)	126.8547	0.669	3	126.8212	0.413	5	131.1438	3.156	118	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CN)	127.3830	0.000	1	126.8212	0.413	5	131.1438	3.156	118	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CN)	128.8300	0.567	2	128.8300	0.322	2	131.1438	3.156	118	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CN)	132.1220	0.000	1	131.4268	2.005	89	131.1438	3.156	118	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]H)(CN)	131.9495	0.588	11	131.4268	2.005	89	131.1438	3.156	118	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CN)	131.3431	1.491	77	131.4268	2.005	89	131.1438	3.156	118	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(CN)	131.6306	0.610	5	131.6306	0.372	5	131.1438	3.156	118	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-2:	C(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(NC)	129.1780	0.000	1	129.1780	0.000	1	129.1780	0.000	1	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(OC)	C(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(OC)	126.5070	0.648	7	126.5070	0.420	7	127.7789	4.030	16	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(OC)	C(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(OC)	132.2320	0.000	1	132.2320	0.000	1	127.7789	4.030	16	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(OC[6a])	C(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(OC[6a])	129.7880	0.000	1	129.7880	0.000	1	127.7789	4.030	16	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(OFe)	C(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(OFe)	127.4290	0.467	2	127.4290	0.218	2	127.7789	4.030	16	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(OS)	C(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(OS)	127.5648	1.427	4	127.5648	2.038	4	127.7789	4.030	16	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(OC)	C(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(OC)	131.7760	0.000	1	131.7760	0.000	1	127.7789	4.030	16	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(SC[6a])	C(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(SC[6a])	129.7877	1.107	3	129.7877	1.226	3	129.7877	1.226	3	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:C-2:	C(C[6a]C[6a]2)(CN[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(N[5]C[5]2)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CN[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CC[6a]H)(CC)	130.0700	0.000	1	130.0700	0.000	1	130.0700	0.000	1	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:O-2:	C(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(N[5]C[5]2)(CC[6a]H)(OC)	C(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C(N[5]C[5]2)(CC[6a]H)(OC)	124.4960	0.000	1	124.4960	0.000	1	124.4960	0.000	1	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(N[5a]C[5a,6a]C[5a])(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]H)(CC)	130.6190	0.000	1	130.6190	0.000	1	130.6190	0.000	1	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:C-2:	C(C[6a]C[6a]2)(CN[6]C)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]C)(CCH)	C(N[6]C[6]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CN[6]C)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]C)(CCH){2|C<3>}	C(N[6]C[6]2)(CC[6a]H)(CN)	132.5620	0.000	1	132.5620	0.000	1	132.5620	0.000	1	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(I)	C[6a](C[6a]C[6a]H)2(CCI)	C(C[6a]C[6a]2)(CC[6a]I)(OC)	C(C[6a]C[6a]2)(CC[6a]O)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]I)(OC)	125.6905	0.673	6	125.6905	0.452	6	125.6905	0.452	6	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:O-2:	C(C[6a]C[6a]2)(CN[5]O)(I)	C[6a](C[6a]C[6a]H)2(CCI)	C(N[5]C[5]2)(CC[6a]I)(OC)	C(C[6a]C[6a]2)(CN[5]O)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CC[6a]I)(OC)	123.7460	0.000	1	123.7460	0.000	1	123.7460	0.000	1	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]H)(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(CN)	118.7520	0.000	1	118.7520	0.000	1	119.3237	0.753	6	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCH)(CN)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCH)(CN)	119.2540	0.948	4	119.2540	0.898	4	119.3237	0.753	6	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CNS)(CN)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CNS)(CN)	120.1740	0.000	1	120.1740	0.000	1	119.3237	0.753	6	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-2:	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(CC[6a]O)(COO)(NN)	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]O)(COO)(NN)	118.3870	0.000	1	118.3870	0.000	1	120.4072	2.026	19	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-2:	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[5a]H)(CC[6a]O)(NC)	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[5a]H)(CC[6a]O)(NC)	121.3990	0.000	1	121.3990	0.000	1	120.4072	2.026	19	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-2:	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCN)(NN)	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCN)(NN)	120.9720	0.000	1	120.9720	0.000	1	120.4072	2.026	19	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-2:	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)(NN)	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCO)(NN)	117.1230	0.000	1	117.1230	0.000	1	120.4072	2.026	19	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-2:	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CHO)(NN)	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CHO)(NN)	120.6560	0.003	2	120.6560	0.000	2	120.4072	2.026	19	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-2:	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(COO)(NO)	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(COO)(NO)	118.0330	0.000	1	118.0330	0.000	1	120.4072	2.026	19	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-2:	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(NN)	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(NN)	120.8758	1.040	12	120.8758	1.082	12	120.4072	2.026	19	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]C)(CC[6a]O)(OC)	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]O)(OC)	120.0340	0.000	1	120.0340	0.000	1	120.2248	0.241	4	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]H)(CC[6a]O)(OH)	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(OH)	120.9300	0.000	1	120.9300	0.000	1	120.2248	0.241	4	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCH)(OC)	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCH)(OC)	120.1370	0.000	1	120.1370	0.000	1	120.2248	0.241	4	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CSS)(OC)	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CSS)(OC)	119.7980	0.000	1	119.7980	0.000	1	120.2248	0.241	4	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:S-2:	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]H)(CC[6a]O)(SC)	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(SC)	121.3720	0.806	6	121.3720	0.649	6	119.7836	2.549	14	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:S-2:	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCH)(SC)	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCH)(SC)	118.5985	0.674	6	118.5985	0.455	6	119.7836	2.549	14	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:S-2:	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CHN)(SC)	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CHN)(SC)	117.8250	0.000	1	117.8250	0.000	1	119.7836	2.549	14	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:S-2:	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CN[6]C)(SC[6a])	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CN[6]C)(SC[6a])	119.3220	0.000	1	119.3220	0.000	1	119.7836	2.549	14	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:N-2:	C(C[6a]C[6a]2)(CNN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NCC)(NS)	C(C[6a]C[6a]2)(CNN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NCC)(NS)	118.5085	0.449	2	118.5085	0.202	2	119.3097	1.175	15	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:N-2:	C(C[6a]C[6a]2)(CNN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NC[6a]H)(NC[6a])	C(C[6a]C[6a]2)(CNN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]H)(NC[6a])	118.8950	0.000	1	118.8950	0.000	1	119.3097	1.175	15	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:N-2:	C(C[6a]C[6a]2)(CNN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NC[6a]H)(NO)	C(C[6a]C[6a]2)(CNN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]H)(NO)	119.3409	1.095	11	119.3409	1.198	11	119.3097	1.175	15	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:N-2:	C(C[6a]C[6a]2)(CNN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NHH)(NO)	C(C[6a]C[6a]2)(CNN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NHH)(NO)	120.9840	0.000	1	120.9840	0.000	1	119.3097	1.175	15	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]C[5,6a]C[5])(CC[6a]O)(CC)	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(CC[6a]O)(CC)	117.6540	0.000	1	117.6540	0.000	1	118.8070	1.083	3	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]C[5,6a]C[5])(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(CC[6a]O)(CN)	119.0900	0.000	1	119.0900	0.000	1	118.8070	1.083	3	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]N[5]2)(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]N[5]2)(CC[6a]O)(CN)	119.6770	0.000	1	119.6770	0.000	1	118.8070	1.083	3	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:N-2:	C(C[6a]C[6a]2)(CC[5]N)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]S[5]2)(CC[6a]O)(NN)	C(C[6a]C[6a]2)(CC[5]N)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]S[5]2)(CC[6a]O)(NN)	119.5480	0.000	1	119.5480	0.000	1	119.5480	0.000	1	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[5]S)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]N[5]2)(CC[6a]O)(SC[6a])	C(C[6a]C[6a]2)(CC[5]S)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]N[5]2)(CC[6a]O)(SC[6a])	119.3490	0.000	1	119.3490	0.000	1	119.1855	0.053	2	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[5]S)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]S[5]2)(CC[6a]O)(SC)	C(C[6a]C[6a]2)(CC[5]S)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]S[5]2)(CC[6a]O)(SC)	119.0220	0.000	1	119.0220	0.000	1	119.1855	0.053	2	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:N-2:	C(C[6a]C[6a]2)(CC[5a]N)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(NS)	C(C[6a]C[6a]2)(CC[5a]N)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(NS)	118.8460	0.000	1	118.8460	0.000	1	118.8960	0.005	2	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:N-2:	C(C[6a]C[6a]2)(CC[5a]N)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5a]N[5a,6a]C[5a])(CC[6a]O)(NC[6a])	C(C[6a]C[6a]2)(CC[5a]N)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5a]N[5a,6a]C[5a])(CC[6a]O)(NC[6a])	118.9460	0.000	1	118.9460	0.000	1	118.8960	0.005	2	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6]C[6,6a]C[6])(CC[6a]O)(CC)	C(C[6a]C[6a]2)(CC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(CC[6a]O)(CC)	118.0110	0.000	1	118.0110	0.000	1	118.2135	0.082	2	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6]C[6,6a]C[6])(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(CC[6a]O)(CN)	118.4160	0.000	1	118.4160	0.000	1	118.2135	0.082	2	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-2:	C(C[6a]C[6a]2)(CC[6a]N)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(NC)	117.2770	0.000	1	117.2770	0.000	1	118.8533	1.287	28	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-2:	C(C[6a]C[6a]2)(CC[6a]N)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a])	C(C[6a]C[6a]2)(CC[6a]N)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a])	118.4345	1.085	6	118.4345	1.177	6	118.8533	1.287	28	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-2:	C(C[6a]C[6a]2)(CC[6a]N)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(NN)	118.9019	0.951	16	118.9019	0.904	16	118.8533	1.287	28	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-2:	C(C[6a]C[6a]2)(CC[6a]N)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(NO)	C(C[6a]C[6a]2)(CC[6a]N)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(NO)	119.5156	1.544	5	119.5156	2.384	5	118.8533	1.287	28	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:N-2:	C(C[6a]C[6a]2)(CN[5]N)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(N[5]C[5,6a]C[5])(CC[6a]O)(NC[6a])	C(C[6a]C[6a]2)(CN[5]N)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(CC[6a]O)(NC[6a])	119.1690	0.000	1	119.1690	0.000	1	119.1690	0.000	1	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:N-2:	C(C[6a]C[6a]2)(CN[5a]N)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(NC[6a])	C(C[6a]C[6a]2)(CN[5a]N)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(NC[6a])	119.0180	0.000	1	119.0180	0.000	1	119.0180	0.000	1	127.6613	26.986	400	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	B[6a]-3:C[6a]-3:C-3:	C(CB[6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(B[6a]N[6a]2)(C[6a]C[6a]2)(CC[6a]H)	C(CB[6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(B[6a]N[6a]2)(C[6a]C[6a]2)(CC[6a]H)	127.6950	0.000	1	127.6950	0.000	1	127.6950	0.000	1	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:C-3:	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CC[6a]H)	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CC[6a]H)	127.3950	0.000	1	127.3950	0.000	1	129.4361	1.465	13	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:C-3:	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]H)	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]H)	128.9490	0.000	1	128.9490	0.000	1	129.4361	1.465	13	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:C-3:	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]H)	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]H)	129.7660	0.247	2	129.7660	0.061	2	129.4361	1.465	13	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:C-3:	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]H)	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]H)	129.7618	1.516	6	129.7618	2.298	6	129.4361	1.465	13	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:C-3:	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]H)	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]H)	128.7030	0.000	1	128.7030	0.000	1	129.4361	1.465	13	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:C-3:	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]H)	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]H)	129.8650	0.000	1	129.8650	0.000	1	129.4361	1.465	13	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:C-3:	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(CC[6a]H)	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(CC[6a]H)	129.6540	0.000	1	129.6540	0.000	1	129.4361	1.465	13	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[5a]-3:C-3:	C(CC[6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CC[6a]H)	C(CC[6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CC[6a]H)	129.3180	0.000	1	129.3180	0.000	1	129.3180	0.000	1	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[5a]-3:C-3:	C(CC[6a]N[5a])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CCI)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC[6a]I)	C(CC[6a]N[5a])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC[6a]I)	126.1140	0.330	2	126.1140	0.109	2	126.1140	0.109	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(CCN)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	C(CC[6a]Br)(CC[6a]O)(NCS)	C(C[6a]C[6a]2)(CCN)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	C(CC[6a]Br)(CC[6a]O)(NCS)	126.0200	0.000	1	126.0200	0.000	1	126.6030	0.680	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(CCN)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	C(CC[6a]Br)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	C(CC[6a]Br)(COO)(NCH)	127.1860	0.000	1	127.1860	0.000	1	126.6030	0.680	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:B[5]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B[5])(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]Br)	C(C[6a]C[6a]2)(CC[6a]B[5])(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]Br)	130.2050	0.000	1	130.2050	0.000	1	130.2050	0.000	1	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:B-3:	C(C[6a]C[6a]2)(CC[6a]B)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	C(C[6a]C[6a]2)(CC[6a]Br)(BBr2)	C(C[6a]C[6a]2)(CC[6a]B)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]Br)(BBr2)	130.7040	0.000	1	130.7040	0.000	1	130.7040	0.000	1	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(Br)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CBrC)	C(C[6a]C[6a]2)(CC[6a]Br)(NCC)	C(C[6a]C[6a]2)(CC[6a]N)(Br)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CBrC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]Br)(NCC)	129.2080	0.308	2	129.2080	0.095	2	129.2080	0.095	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	C(C[6a]C[6a]2)2(CC[6a]Br)	C(C[6a]C[6a]2)(CC[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]Br)	127.3582	0.248	5	127.3582	0.062	5	127.3582	0.062	5	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:D-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(CCN)(D)	C[6a](C[6a]C[6a]H)2(CCD)	C(CC[6a]D)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(D)	C[6a](C[6a]C[6a]H)2(CCD){1|C<3>,2|H<1>}	C(CC[6a]D)(COO)(NCH)	131.7630	0.000	1	131.7630	0.000	1	131.7630	0.000	1	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]H)(COO)	128.8345	0.247	2	128.8345	0.061	2	128.8345	0.061	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a,6a]2)(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(CC[6a]H)(CCN)2	C(C[6a]C[6a,6a]2)(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(CC[6a]H)(CCN)2	124.4670	0.232	2	124.4670	0.054	2	126.1054	1.663	7	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a,6a]2)(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(CC[6a]H)(CCO)2	C(C[6a]C[6a,6a]2)(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(CC[6a]H)(CCO)2	126.2555	0.094	2	126.2555	0.009	2	126.1054	1.663	7	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a,6a]2)(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(CC[6a]H)(COO)2	C(C[6a]C[6a,6a]2)(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){1|N<2>,2|H<1>,4|C<3>}	C(CC[6a]H)(COO)2	126.6605	0.633	2	127.0977	0.774	3	126.1054	1.663	7	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a,6a]2)(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(CC[6a]H)(COO)2	C(C[6a]C[6a,6a]2)(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(CC[6a]H)(COO)2	127.9720	0.000	1	127.0977	0.774	3	126.1054	1.663	7	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]2)(CC[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(C[6a]C[6a]2)2(CC[6a]H)	C(C[6a]C[6a,6a]2)(CC[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(C[6a]C[6a]2)2(CC[6a]H)	125.7093	0.836	3	125.7093	0.700	3	125.7093	0.700	3	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	N[5a]-3:C-3:C-3:	C(C[6a]C[6a,6a]2)(CN[5a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(N[5a]C[5a]2)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a,6a]2)(CN[5a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(N[5a]C[5a]2)(CC[6a]H)(CC[6a]O)	128.5468	2.151	4	128.5468	4.625	4	127.2412	6.882	6	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	N[5a]-3:C-3:C-3:	C(C[6a]C[6a,6a]2)(CN[5a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a,6a]2)(CN[5a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	124.6300	0.283	2	124.6300	0.080	2	127.2412	6.882	6	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCO)2	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(CC[6a]H)(CCO)2	129.7550	0.000	1	129.7550	0.000	1	127.6425	8.925	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[6a]O)2	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,1|N<3>,3|C<3>}	C(CC[6a]H)(CC[6a]O)2	125.5300	0.000	1	125.5300	0.000	1	127.6425	8.925	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a,6a]C[6a])(CCN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[6a]O)(NOO)	C(C[6a]C[6a,6a]C[6a])(CCN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,1|N<3>,3|C<3>}	C(CC[6a]H)(CC[6a]O)(NOO)	116.2010	0.000	1	122.3725	76.175	2	122.3725	76.175	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a,6a]C[6a])(CCN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[6a]O)(NOO)	C(C[6a]C[6a,6a]C[6a])(CCN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(CC[6a]H)(CC[6a]O)(NOO)	128.5440	0.000	1	122.3725	76.175	2	122.3725	76.175	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	128.1130	0.000	1	128.1130	0.000	1	128.1130	0.000	1	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)2(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)2(CC[6a]H)	129.0260	0.000	1	129.0260	0.000	1	129.0260	0.000	1	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	B[6a]-3:B[6a]-3:C-3:	C(C[6a]C[6a]2)(CB[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(B[6a]N[6a]2)2(CC[6a]H)	C(C[6a]C[6a]2)(CB[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(B[6a]N[6a]2)2(CC[6a]H)	128.4400	0.000	1	128.4400	0.000	1	128.4400	0.000	1	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CCO)(COO)	129.9630	0.000	1	129.9630	0.000	1	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]S)(CCH)	C(CC[6a]H)(COO)2	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]S)(CCH){2|C<3>}	C(CC[6a]H)(COO)2	127.5030	0.000	1	127.5030	0.000	1	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCO)(COO)	134.5460	0.000	1	134.5460	0.000	1	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCO)(COO)	123.6430	0.000	1	123.6430	0.000	1	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(CCO)2	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCO)2	130.3190	0.000	1	130.3190	0.000	1	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(COO)2	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)2	126.9860	2.623	2	126.9860	6.882	2	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CCO)(CNO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCO)(CNO)	129.3750	0.000	1	129.3750	0.000	1	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CC[6a]O)(CCO)	131.8160	0.000	1	131.8160	0.000	1	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CNN)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CNN)(COO)	131.5610	0.000	1	131.5610	0.000	1	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CN[6]O)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CN[6]O)(COO)	127.4980	0.000	1	127.4980	0.000	1	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(COO)2	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)2	131.9520	0.000	1	131.9520	0.000	1	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCC)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CCC)(COO)	130.5085	0.247	2	130.5085	0.061	2	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCH)(CHO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCH)(CHO)	130.0330	0.000	1	130.0330	0.000	1	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCH)(COO)	129.5330	0.283	2	129.5330	0.080	2	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCN)2	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCN)2	127.1080	0.000	2	127.1080	0.000	2	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]H)(CCO)(COO)	130.5050	0.000	1	130.1712	0.278	4	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCO)(COO)	130.3145	0.545	2	130.1712	0.278	4	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	C(CC[6a]H)(CCO)(COO)	129.5510	0.000	1	130.1712	0.278	4	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCO)2	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]H)(CCO)2	130.0830	0.000	1	129.3227	6.360	3	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCO)2	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CCO)2	131.3770	0.000	1	129.3227	6.360	3	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCO)2	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCO)2	126.5080	0.000	1	129.3227	6.360	3	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[5]C)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[5]C)(COO)	129.6130	0.000	1	129.6130	0.000	1	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(CCO)	130.9287	0.451	3	130.9287	0.203	3	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(COO)	129.6980	0.939	2	129.6980	0.882	2	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]O)2	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]H)(CC[6a]O)2	132.4190	0.000	1	132.4190	0.000	1	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CNN)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CNN)(COO)	131.2980	0.000	1	131.2980	0.000	1	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COO)2	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)2	131.2603	0.361	3	131.2603	0.130	3	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]O)2(CCH)	C(CC[6a]H)(CC[6]O)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]O)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6]O)(COO)	128.0300	0.000	1	128.0300	0.000	1	129.8015	4.343	38	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCO)(NCH)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCO)(NCH)	131.4480	2.679	2	131.4480	7.174	2	130.2668	2.819	24	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CNO)(NCH)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CNO)(NCH)	129.8429	1.614	17	129.8429	2.606	17	130.2668	2.819	24	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(COO)(NCH)	131.9260	0.000	1	131.1755	1.783	4	130.2668	2.819	24	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)(NCH)	130.9253	1.516	3	131.1755	1.783	4	130.2668	2.819	24	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COO)(NCO)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COO)(NCO)	131.4750	0.000	1	131.4750	0.000	1	130.2668	2.819	24	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:N-3:	C(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(NCN)(NOO)	C(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(NCN)(NOO)	129.5405	1.197	2	129.5405	1.433	2	129.2318	2.685	5	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:N-3:	C(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(NCH)(NCS)	C(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NCH)(NCS)	129.8980	2.104	2	129.8980	4.428	2	129.2318	2.685	5	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:N-3:	C(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(NCS)2	C(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NCS)2	127.2820	0.000	1	127.2820	0.000	1	129.2318	2.685	5	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-3:C-3:	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(SAg2)(COO)	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){2|Br<1>,1|C<3>}	C(CC[6a]H)(SAg2)(COO)	126.5340	0.000	1	126.5340	0.000	1	126.5340	0.000	1	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-3:S-3:	C(C[6a]C[6a]2)(CSS)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(SFe2)2	C(C[6a]C[6a]2)(CSS)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(SFe2)2	126.0590	0.000	1	126.0590	0.000	1	126.0590	0.000	1	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[4]N)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[4]C[4]2)(CC[6a]H)(NCS)	C(C[6a]C[6a]2)(CC[4]N)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[4]C[4]2)(CC[6a]H)(NCS)	133.1400	0.491	2	133.1400	0.241	2	133.1400	0.241	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]2)(CC[6a]H)(CNO)	C(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]2)(CC[6a]H)(CNO)	128.7890	0.000	1	128.7890	0.000	1	128.7890	0.000	1	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]F)2(CCH)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]H)	125.7920	0.000	1	125.7920	0.000	1	127.5407	2.816	3	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]H)	127.6920	0.000	1	127.6920	0.000	1	127.5407	2.816	3	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]H)	129.1380	0.000	1	129.1380	0.000	1	127.5407	2.816	3	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CCH)	C(C[5a]C[5a]S[5a])(CC[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6,6a]O)(CCH){1|C<3>,2|C<4>}	C(C[5a]C[5a]S[5a])(CC[6a]H)(CCH)	133.4100	0.000	1	133.4100	0.000	1	131.6773	1.748	7	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]C[5a]N[5a])(CC[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a]H)(CCH)	129.4090	0.000	1	129.4090	0.000	1	131.6773	1.748	7	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]C[5a]N[5a])(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a]H)(COO)	131.9287	1.031	3	131.9287	1.062	3	131.6773	1.748	7	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]N[5a,6a]C[5a])(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]N[5a,6a]C[5a])(CC[6a]H)(CCO)	131.5680	0.033	2	131.5680	0.001	2	131.6773	1.748	7	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]O[6])(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]O[6])(CC[6a]H)(CC[6a]O)	130.9490	0.646	2	130.9490	0.418	2	130.9490	0.418	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:B[5]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]B[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]H)	128.4910	0.498	2	128.4910	0.248	2	129.9072	1.969	5	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:B[5]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B[5])(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]B[5])(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]H)	130.8513	0.686	3	130.8513	0.471	3	129.9072	1.969	5	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]H)(COO)	125.2650	0.000	1	125.2650	0.000	1	129.5573	2.142	57	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(COO)	126.6345	1.158	2	126.6345	1.340	2	129.5573	2.142	57	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	128.9040	0.325	4	128.9040	0.106	4	129.5573	2.142	57	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(COO)	128.6810	0.000	1	128.6810	0.000	1	129.5573	2.142	57	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CHO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CHO)	129.7320	0.000	2	129.7320	0.000	2	129.5573	2.142	57	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(COO)	129.3920	0.000	1	129.3920	0.000	1	129.5573	2.142	57	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	127.6780	0.000	1	127.6780	0.000	1	129.5573	2.142	57	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(COO)	130.7138	0.626	4	130.7138	0.392	4	129.5573	2.142	57	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	129.5948	0.694	8	129.5948	0.482	8	129.5573	2.142	57	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	129.9180	3.154	3	129.9180	9.951	3	129.5573	2.142	57	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	130.6705	1.446	2	130.6705	2.091	2	129.5573	2.142	57	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	129.6860	0.000	1	129.4547	0.625	6	129.5573	2.142	57	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	129.4084	0.875	5	129.4547	0.625	6	129.5573	2.142	57	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CHO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CHO)	129.7890	0.687	4	129.7890	0.472	4	129.5573	2.142	57	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	129.5958	1.567	5	129.5958	2.456	5	129.5573	2.142	57	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CN[6]O)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CN[6]O)	132.3280	0.000	1	132.3280	0.000	1	129.5573	2.142	57	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|I<1>}	C(C[6a]C[6a]2)(CC[6a]H)(COO)	131.3070	0.000	1	129.8637	1.834	11	129.5573	2.142	57	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]H)(COO)	128.6380	0.000	1	129.8637	1.834	11	129.5573	2.142	57	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(COO)	129.8396	1.358	9	129.8637	1.834	11	129.5573	2.142	57	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CPS)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CPS)	129.9990	0.000	1	129.9990	0.000	1	129.5573	2.142	57	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(NCC)	127.9500	0.000	1	127.9500	0.000	1	128.0973	5.967	6	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	124.3640	0.000	1	124.3640	0.000	1	128.0973	5.967	6	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(NCC)	129.8550	0.000	1	129.8550	0.000	1	128.0973	5.967	6	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	130.1310	0.857	2	130.1310	0.734	2	128.0973	5.967	6	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(NOO)	C(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a]H)(NOO)	126.1530	0.000	1	126.1530	0.000	1	128.0973	5.967	6	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-3:	C(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(SCC)	C(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(SCC)	128.1230	0.000	1	128.1230	0.000	1	128.1230	0.000	1	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]H)	129.0535	0.318	4	129.0535	0.101	4	129.0535	0.101	4	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)2(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)2(CC[6a]H)	128.8825	1.337	2	128.8825	1.788	2	129.0738	3.402	64	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)2(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)2(CC[6a]H)	127.5550	0.516	2	127.5550	0.266	2	129.0738	3.402	64	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)2(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)2(CC[6a]H)	129.0400	0.000	1	129.0400	0.000	1	129.0738	3.402	64	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CCH)	C(C[6a]C[6a]2)2(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CCH){2|C<3>}	C(C[6a]C[6a]2)2(CC[6a]H)	126.3700	0.000	1	126.3700	0.000	1	129.0738	3.402	64	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)2(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)2(CC[6a]H)	128.8633	0.727	3	128.8633	0.528	3	129.0738	3.402	64	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)2(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)2(CC[6a]H)	128.4510	0.000	1	128.4510	0.000	1	129.0738	3.402	64	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CCH)	C(C[6a]C[6a]2)2(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)2(CC[6a]H)	126.0080	0.000	1	126.0080	0.000	1	129.0738	3.402	64	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(C[6a]C[6a]2)2(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)2(CC[6a]H)	129.1370	0.000	1	128.8270	0.922	3	129.0738	3.402	64	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(C[6a]C[6a]2)2(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]H)	128.6720	1.304	2	128.8270	0.922	3	129.0738	3.402	64	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[6a]C[6a]2)2(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)2(CC[6a]H)	125.7160	0.000	1	128.5875	4.334	4	129.0738	3.402	64	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[6a]C[6a]2)2(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)2(CC[6a]H)	129.5447	1.002	3	128.5875	4.334	4	129.0738	3.402	64	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]H)	129.0790	0.492	3	129.0790	0.242	3	129.0738	3.402	64	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)2(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)2(CC[6a]H)	130.7430	0.000	1	129.3955	4.106	42	129.0738	3.402	64	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)2(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)2(CC[6a]H)	132.1110	0.000	1	129.3955	4.106	42	129.0738	3.402	64	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)2(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]H)	129.2939	2.018	40	129.3955	4.106	42	129.0738	3.402	64	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]H)	128.7140	0.000	1	128.7140	0.000	1	129.0738	3.402	64	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[5]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]N[5])(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]H)	132.1490	0.000	1	132.1490	0.000	1	132.1490	0.000	1	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(N[5]C[5]2)(CC[6a]H)(CCH)	C(C[6a]C[6a]2)(CN[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CC[6a]H)(CCH)	127.9030	0.000	1	127.9030	0.000	1	129.3745	4.331	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(N[5]C[5]2)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CN[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CC[6a]H)(CC[6a]O)	130.8460	0.000	1	130.8460	0.000	1	129.3745	4.331	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:N-3:	C(C[6a]C[6a]2)(CN[5]N)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(N[5]C[5]O[5])(CC[6a]H)(NCS)	C(C[6a]C[6a]2)(CN[5]N)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(N[5]C[5]O[5])(CC[6a]H)(NCS)	130.7510	0.000	1	130.7510	0.000	1	130.7510	0.000	1	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[6a]C[6a]Cl)2(CCH)	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[6a]C[6a]Cl)2(CCH){1|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	126.2940	0.000	1	126.2940	0.000	1	130.5949	3.112	15	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(N[5a]C[5a,6a]2)(CC[6a]H)(CNO)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(N[5a]C[5a,6a]2)(CC[6a]H)(CNO)	132.7080	0.000	1	132.7080	0.000	1	130.5949	3.112	15	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(N[5a]C[5a,6a]N[5a])(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(CC[6a]H)(COO)	131.4830	1.728	4	131.4830	2.984	4	130.5949	3.112	15	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	130.2223	0.826	8	130.2223	0.683	8	130.5949	3.112	15	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(N[5a]N[5a]2)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(N[5a]N[5a]2)(CC[6a]H)(COO)	132.2110	0.000	1	132.2110	0.000	1	130.5949	3.112	15	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:N[5a]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	C(N[5a]C[5a]N[5a])2(CC[6a]H)	C(C[6a]C[6a]2)(CN[5a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(N[5a]C[5a]N[5a])2(CC[6a]H)	126.0230	0.000	1	126.0230	0.000	1	127.5145	4.449	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:N[5a]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(N[5a]C[5a]N[5a])(N[5a]C[5a]2)(CC[6a]H)	C(C[6a]C[6a]2)(CN[5a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(N[5a]C[5a]2)(CC[6a]H)	129.0060	0.000	1	129.0060	0.000	1	127.5145	4.449	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(N[6a]C[6a]2)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CN[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(CC[6a]H)(COO)	131.1700	0.000	1	131.1700	0.000	1	131.1700	0.000	1	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:C-3:	C(C[6a]C[6a]2)(CN[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	C(N[6a]C[6a]2)2(CC[6a]H)	C(C[6a]C[6a]2)(CN[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)2(CC[6a]H)	125.5610	0.000	1	125.5610	0.000	1	125.5610	0.000	1	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CCI)	C(C[6a]C[6a]2)2(CC[6a]I)	C(C[6a]C[6a]2)(CC[6a]2)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CCI){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)2(CC[6a]I)	126.4520	0.000	1	126.4520	0.000	1	126.4520	0.000	1	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:N-3:	C(C[6a]C[6a]2)(CN[5]N)(I)	C[6a](C[6a]C[6a]H)2(CCI)	C(N[5]C[5]2)(CC[6a]I)(NCS)	C(C[6a]C[6a]2)(CN[5]N)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CC[6a]I)(NCS)	123.6040	0.000	1	123.6040	0.000	1	123.6040	0.000	1	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CN[6]C)(COO)	C(C[6a]C[6a,6a]C[6a])(CCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	C(CC[6a]O)(CN[6]C)(COO)	116.6130	0.000	1	116.6130	0.000	1	116.6130	0.000	1	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CCN)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(NC[6a]H)(CCC)	C(C[6a]C[6a,6a]C[6a])(CCN)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	C(CC[6a]O)(NC[6a]H)(CCC)	117.7770	0.000	2	117.7770	0.000	2	117.7770	0.000	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CCC)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]O)(CCC)(COO)	118.9910	0.000	1	118.9910	0.000	1	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CN[6]C)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	C(CC[6a]O)(CN[6]C)(COO)	118.6620	0.000	1	118.6620	0.000	1	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	C(CC[6a]H)(CC[6a]O)2	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	C(CC[6a]H)(CC[6a]O)2	118.1105	2.765	2	118.1105	7.648	2	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCO)	C(CC[6a]C)(CC[6a]O)2	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]O)2	121.6470	0.000	1	121.6470	0.000	1	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CN[6]C)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CN[6]C)(COO)	120.2770	0.000	1	120.2770	0.000	1	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]H)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(COO)	118.5350	0.000	1	118.5350	0.000	1	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]N)(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[6a]N)(CC[6a]O)(CCC)	119.0020	0.000	1	119.0020	0.000	1	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)(CHN)2	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CHN)2	120.7630	0.870	2	120.7630	0.756	2	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[5a]C)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[5a]C)(CC[6a]O)(COO)	117.4030	0.000	1	117.4030	0.000	1	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[5a]C[6a])(CC[6a]O)(CHO)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CC[6a]O)(CHO)	120.7340	0.000	1	120.7340	0.000	1	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[5a]H)(CC[6a]O)(CC[5]H)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[5a]H)(CC[6a]O)(CC[5]H)	121.0920	0.000	1	121.0920	0.000	1	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]H)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(CCO)	118.7115	0.929	4	118.7115	0.863	4	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]H)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(COO)	119.7030	0.000	1	119.7030	0.000	1	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]H)(CC[6a]O)2	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)2	118.9670	2.558	2	118.9670	6.545	2	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]N)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]N)(CC[6a]O)(CCO)	118.6550	0.000	1	118.6550	0.000	1	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]N)(CC[6a]O)2	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]N)(CC[6a]O)2	119.8580	3.268	2	119.8580	10.681	2	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCC)(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCC)(CCH)	118.7590	0.000	1	118.7590	0.000	1	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCC)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCC)(COO)	121.5914	1.666	8	121.5914	2.775	8	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCH)(CCO)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCH)(CCO)	119.2008	1.329	5	119.2008	1.767	5	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCH)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCH)(COO)	117.5880	0.731	2	117.5880	0.535	2	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCH)(CSS)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCH)(CSS)	118.8925	1.292	2	118.8925	1.669	2	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCN)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCN)(COO)	119.3250	0.000	2	119.3250	0.000	2	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCN)2	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]O)(CCN)2	120.1262	1.442	4	120.1262	2.079	4	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)(CHN)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCO)(CHN)	120.9582	0.714	8	120.9582	0.510	8	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)(CNS)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCO)(CNS)	118.3320	0.000	1	118.3320	0.000	1	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)2	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCO)2	124.4595	0.122	2	124.4595	0.015	2	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCP)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCP)(COO)	119.2190	0.000	1	119.2190	0.000	1	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCS)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCS)(COO)	118.9190	0.000	1	118.9190	0.000	1	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CHN)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CHN)(COO)	120.5473	1.559	3	120.5473	2.430	3	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CN[6]C)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CN[6]C)(COO)	118.6077	1.201	4	118.6077	1.441	4	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(CCH)	119.5825	0.062	2	119.5825	0.004	2	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(CCN)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(CCN)	119.6125	0.588	2	119.6125	0.345	2	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(CN[5]C)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(CN[5]C)	120.1760	0.639	2	120.1760	0.409	2	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(CN[5a]C)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(CN[5a]C)	120.6232	1.198	6	120.6232	1.436	6	119.9514	2.863	79	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]2)(CC[6a]O)(NHS)	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]O)(NHS)	119.1040	0.000	1	119.1040	0.000	1	120.6958	2.036	6	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]Br)(CC[6a]O)(NCS)	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]Br)(CC[6a]O)(NCS)	121.3740	0.000	1	121.3740	0.000	1	120.6958	2.036	6	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]H)(CC[6a]O)(NOO)	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(NOO)	120.2620	2.284	2	120.2620	5.216	2	120.6958	2.036	6	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CHN)(NHS)	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CHN)(NHS)	121.5865	0.069	2	121.5865	0.005	2	120.6958	2.036	6	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:C-3:	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NC[6a]H)(CCC)	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]H)(CCC)	119.2080	0.000	1	119.2080	0.000	1	119.6813	0.855	3	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:C-3:	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NC[6a]H)(CCH)	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]H)(CCH)	119.9180	1.172	2	119.9180	1.374	2	119.6813	0.855	3	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	C(C[5]S[5]2)(CC[6a]O)2	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	C(C[5]S[5]2)(CC[6a]O)2	121.7710	0.000	1	121.7710	0.000	1	120.3520	2.859	6	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]C[5]N[5])(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]C[5]N[5])(CC[6a]O)(COO)	117.5200	0.000	1	117.5200	0.000	1	120.3520	2.859	6	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]N[5]2)(CC[6a]O)(CC[5]H)	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]N[5]2)(CC[6a]O)(CC[5]H)	121.0255	0.878	2	121.0255	0.770	2	120.3520	2.859	6	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]S[5]2)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]S[5]2)(CC[6a]O)(CCH)	121.5210	0.000	1	121.5210	0.000	1	120.3520	2.859	6	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]S[5]2)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]S[5]2)(CC[6a]O)(CCO)	119.2490	0.000	1	119.2490	0.000	1	120.3520	2.859	6	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[5]N)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]C[5]N[5])(CC[6a]O)(NHS)	C(C[6a]C[6a]2)(CC[5]N)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]C[5]N[5])(CC[6a]O)(NHS)	120.4280	1.427	3	120.4280	2.035	3	120.4280	2.035	3	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CC[6a]O)	119.2500	0.141	2	119.2500	0.020	2	118.9394	1.984	8	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO){1|C<3>,1|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]O)	117.1050	0.000	1	117.1050	0.000	1	118.9394	1.984	8	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]O)	119.1820	1.582	5	119.1820	2.503	5	118.9394	1.984	8	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]C[5])(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5a]C[5a]2)(C[5]C[5]2)(CC[6a]O)	C(C[6a]C[6a]2)(CC[5a]C[5])(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5a]C[5a]2)(C[5]C[5]2)(CC[6a]O)	118.3045	0.576	2	118.3045	0.332	2	118.3045	0.332	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6,6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6,6]C[3x6]2)(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6,6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6,6]C[3x6]2)(CC[6a]N)(CC[6a]O)	120.6690	0.000	1	120.6690	0.000	1	119.7945	1.530	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6,6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6,6]C[3x6]2)(CC[6a]O)2	C(C[6a]C[6a]2)(CC[6,6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6,6]C[3x6]2)(CC[6a]O)2	118.9200	0.000	1	118.9200	0.000	1	119.7945	1.530	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6]C[5,6]C[6])(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6]C[5,6]C[6])(CC[6a]O)(CCH)	118.3535	0.456	2	118.3535	0.208	2	119.3284	0.742	8	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6]C[6]N[6])(CC[6a]O)(CCN)	C(C[6a]C[6a]2)(CC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]O)(CCN)	119.7665	0.235	2	119.7665	0.055	2	119.3284	0.742	8	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6]C[6]N[6])(CC[6a]O)2	C(C[6a]C[6a]2)(CC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]O)2	120.2410	0.529	2	120.2410	0.280	2	119.3284	0.742	8	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6]C[6]O[6])(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6]C[6]O[6])(CC[6a]H)(CC[6a]O)	118.9525	0.648	2	118.9525	0.420	2	119.3284	0.742	8	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	119.1910	0.100	2	119.1910	0.010	2	119.6534	3.184	28	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	120.6120	0.000	1	120.6120	0.000	1	119.6534	3.184	28	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	119.6750	0.000	1	119.6750	0.000	1	119.6534	3.184	28	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CHH)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CHH)	120.6140	0.000	1	120.6140	0.000	1	119.6534	3.184	28	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]O)	119.8333	1.332	3	119.8333	1.775	3	119.6534	3.184	28	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	119.5777	0.691	3	119.5777	0.478	3	119.6534	3.184	28	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	120.7955	0.431	2	120.7955	0.185	2	119.6534	3.184	28	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(CCC)	119.8590	0.000	1	119.8590	0.000	1	119.6534	3.184	28	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CCF)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(CCF)	119.1540	0.000	1	119.1540	0.000	1	119.6534	3.184	28	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	118.5490	0.000	1	118.5490	0.000	1	119.6534	3.184	28	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(CCO)	123.4920	2.950	2	123.4920	8.703	2	119.6534	3.184	28	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CCP)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(CCP)	117.8380	0.000	1	117.8380	0.000	1	119.6534	3.184	28	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]H)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]H)	117.4290	0.402	2	117.4290	0.161	2	119.6534	3.184	28	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]P)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]P)	118.3000	0.000	1	118.3000	0.000	1	119.6534	3.184	28	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CSS)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(CSS)	118.3373	1.635	3	118.3373	2.674	3	119.6534	3.184	28	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)2	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)2	122.7730	0.000	1	122.7730	0.000	1	119.6534	3.184	28	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]N[6a])(CC[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]2)(CC[6a]O)	119.1260	0.000	1	119.1260	0.000	1	119.6534	3.184	28	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]N[6a])(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]C)(CC[6a]O)	118.7350	0.000	1	118.7350	0.000	1	119.6534	3.184	28	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]O)	C(C[6a]C[6a]2)(CC[6a]N)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]O)	118.6210	0.008	2	118.6210	0.000	2	118.6210	0.000	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[4]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C[4])(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(C[4]C[4]2)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C[4])(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[4]C[4]2)(CC[6a]O)	119.3820	0.000	1	119.3820	0.000	1	119.3820	0.000	1	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)	120.0370	0.000	1	120.0370	0.000	1	119.5765	0.424	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(C[5]S[5]2)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]S[5]2)(CC[6a]O)	119.1160	0.000	1	119.1160	0.000	1	119.5765	0.424	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(N[5]C[5]2)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CN[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CC[6a]H)(CC[6a]O)	119.9870	0.000	1	119.9870	0.000	1	118.3975	5.053	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(N[5]C[5]2)(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CN[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CC[6a]O)(CCC)	116.8080	0.000	1	116.8080	0.000	1	118.3975	5.053	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	119.4410	0.000	1	119.4410	0.000	1	119.3623	0.989	21	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	119.9110	0.284	5	119.9110	0.080	5	119.3623	0.989	21	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	C(N[5a]C[5a]N[5a])(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(CNS)	120.1950	0.000	1	120.1950	0.000	1	119.3623	0.989	21	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(N[5a]C[5a]N[5a])(CC[6a]O)(CC[5]H)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(CC[5]H)	119.5560	0.000	1	119.5560	0.000	1	119.3623	0.989	21	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO)	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO){1|C<3>,1|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	119.5020	0.000	1	119.5020	0.000	1	119.3623	0.989	21	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(N[5a]C[5a,6a]C[5a])(CC[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]2)(CC[6a]O)	121.1420	0.000	1	121.1420	0.000	1	119.3623	0.989	21	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(CCC)	119.0090	0.000	1	119.0090	0.000	1	119.3623	0.989	21	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(CCC)	119.1450	0.000	1	119.1450	0.000	1	119.3623	0.989	21	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(N[5a]C[5a]2)(CC[5a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(N[5a]C[5a]2)(CC[5a]H)(CC[6a]O)	119.4060	0.000	1	119.4060	0.000	1	119.3623	0.989	21	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(N[5a]C[5a]2)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(N[5a]C[5a]2)(CC[6a]H)(CC[6a]O)	118.3505	0.652	4	118.3505	0.425	4	119.3623	0.989	21	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	118.9300	1.989	3	118.9300	3.958	3	119.3623	0.989	21	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO)	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCO){1|C<3>,2|C<4>,2|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	119.4660	0.000	1	119.4660	0.000	1	119.3623	0.989	21	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]C[5])(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(N[5a]C[5a]N[5a])(C[5]N[5]S[5])(CC[6a]O)	C(C[6a]C[6a]2)(CN[5a]C[5])(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(C[5]N[5]S[5])(CC[6a]O)	118.7390	0.000	1	118.7390	0.000	1	120.5195	6.340	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(CN[5a]C[5])(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(N[5a]C[5a]N[5a])(C[5]S[5]2)(CC[6a]O)	C(C[6a]C[6a]2)(CN[5a]C[5])(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(C[5]S[5]2)(CC[6a]O)	122.3000	0.000	1	122.3000	0.000	1	120.5195	6.340	2	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[6]C)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(N[6]C[6]2)(CC[6a]O)(CCN)	C(C[6a]C[6a]2)(CN[6]C)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	C(N[6]C[6]2)(CC[6a]O)(CCN)	118.2150	0.000	1	118.2150	0.000	1	118.2150	0.000	1	125.6678	25.134	479	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	C(C[6a]C[6a]2)(CC[6a]Br)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]Br)(CCHH)	128.6590	0.298	2	128.6590	0.089	2	128.6590	0.089	2	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CCCH)	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(CCH){1|C<3>,1|S<2>,2|C<4>,2|F<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CCCH)	126.9520	0.000	1	126.9520	0.000	1	126.9520	0.000	1	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:Si-4:	C(C[6a]C[6a,6a]C[6a])(CSiC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CN[5]N)(SiC3)	C(C[6a]C[6a,6a]C[6a])(CSiC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(CC[6a]H)(CN[5]N)(SiC3)	123.3880	0.000	1	123.3880	0.000	1	123.3880	0.000	1	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-4:	C(C[6a]C[6a,6a]C[6a])(CC[5a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CCH)	C(C[5a]C[5a]O[5a])(CC[6a]H)(CCHH)	C(C[6a]C[6a,6a]C[6a])(CC[5a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a]O[5a])(CC[6a]H)(CCHH)	123.5790	0.000	1	123.5790	0.000	1	123.5790	0.000	1	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	123.1330	0.000	1	123.1330	0.000	1	123.1330	0.000	1	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	B[5]-3:C-3:C-4:	C(C[6a]C[6a]2)(CB[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(B[5]O[5]2)(CC[6a]H)(CH3)	C(C[6a]C[6a]2)(CB[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(B[5]O[5]2)(CC[6a]H)(CH3)	131.4170	0.000	1	131.4170	0.000	1	131.4170	0.000	1	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	B[5]-3:C-3:Si-4:	C(C[6a]C[6a]2)(CB[5]Si)(H)	C[6a](C[6a]C[6a]O)2(CCH)	C(B[5]O[5]2)(CC[6a]H)(SiC3)	C(C[6a]C[6a]2)(CB[5]Si)(H)	C[6a](C[6a]C[6a]O)2(CCH){1|C<3>,2|H<1>}	C(B[5]O[5]2)(CC[6a]H)(SiC3)	127.6540	0.000	1	127.6540	0.000	1	127.6540	0.000	1	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[6a]O)(CC3)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(CC3)	128.4560	0.000	1	128.4560	0.000	1	130.4432	4.030	28	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[6a]O)(CC3)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(CC3)	126.4380	0.000	1	126.4380	0.000	1	130.4432	4.030	28	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]C)(CC[6a]H)(CH3)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]H)(CH3)	127.2620	0.000	1	127.2620	0.000	1	130.4432	4.030	28	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|Br<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(CCHH)	130.2940	0.000	1	130.2940	0.000	1	130.4432	4.030	28	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5a]H)(CC[6a]H)(CH3)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[5a]H)(CC[6a]H)(CH3)	131.7018	1.115	13	131.7018	1.243	13	130.4432	4.030	28	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]C[4])(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]C[4])(CC[6a]H)(CCHH)	130.1870	0.000	1	130.1870	0.000	1	130.4432	4.030	28	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[3]O)(CCHH)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[3]O)(CCHH)	130.4020	0.000	1	130.4020	0.000	1	130.4432	4.030	28	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[5]H)(CH3)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[5]H)(CH3)	130.4585	0.582	2	130.4585	0.339	2	130.4432	4.030	28	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]O)(CC3)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]H)(CC[6a]O)(CC3)	127.6270	0.000	1	127.6270	0.000	1	130.4432	4.030	28	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(CCHH)	130.2996	2.461	5	130.2996	6.057	5	130.4432	4.030	28	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(CH3)	127.2050	0.000	1	127.2050	0.000	1	130.4432	4.030	28	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:S-4:	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CC[6a]O)(SCOO)	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CC[6a]O)(SCOO)	126.9160	0.000	1	126.9160	0.000	1	126.9160	0.000	1	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:C-4:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(NC[6a]C)(CHHN)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NC[6a]C)(CHHN)	128.0430	0.000	1	128.0430	0.000	1	129.6483	4.675	3	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:C-4:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(NLiSi)(CC3)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NLiSi)(CC3)	130.4510	2.342	2	130.4510	5.485	2	129.6483	4.675	3	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:P-3:C-4:	C(C[6a]C[6a]2)(CCP)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(PC[6]P)(CC3)	C(C[6a]C[6a]2)(CCP)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(PC[6]P)(CC3)	133.6497	1.986	3	133.6497	3.944	3	133.6497	3.944	3	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]2)(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]2)(CC[6a]H)(CCHH)	129.4710	0.000	1	129.4710	0.000	1	126.8460	13.781	2	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]N[5,6]C[5])(CC[6a]H)(CH3)	C(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]N[5,6]C[5])(CC[6a]H)(CH3)	124.2210	0.000	1	124.2210	0.000	1	126.8460	13.781	2	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[5a]C[5a]S[5a])(CC[6a]H)(CCCH)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(CC[6a]H)(CCCH)	132.9340	0.000	1	132.9340	0.000	1	129.7662	3.575	5	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]C[5a,6a]C[5a])(CC[6a]H)(CF3)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]H)(CF3)	129.8810	0.000	1	129.8810	0.000	1	129.7662	3.575	5	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]C[5a]2)(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]2)(CC[6a]H)(CCHH)	129.2460	0.000	1	129.2460	0.000	1	129.7662	3.575	5	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5a]C[5a]N[5a])(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a]H)(CCHH)	128.3850	0.406	2	128.3850	0.165	2	129.7662	3.575	5	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2)(CC[6a]H)(CHHO)	C(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(CHHO)	127.8230	0.000	1	127.8230	0.000	1	127.8230	0.000	1	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CH3)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]2)(CCH){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]H)(CH3)	127.9820	0.000	1	127.9820	0.000	1	128.4989	4.111	40	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CHHN)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CHHN)	127.0535	1.070	2	127.0535	1.145	2	128.4989	4.111	40	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CCCH)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CCCH)	126.2075	1.443	2	126.2075	2.083	2	128.4989	4.111	40	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	129.1197	5.548	3	129.1197	30.782	3	128.4989	4.111	40	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(CCHH)	124.6720	0.300	2	124.6720	0.090	2	128.4989	4.111	40	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CF3)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]H)(CF3)	128.1150	0.000	1	128.1150	0.000	1	128.4989	4.111	40	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(CCHH)	127.3880	0.000	1	127.3880	0.000	1	128.4989	4.111	40	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CC3)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CC3)	129.4550	0.000	1	129.4550	0.000	1	128.4989	4.111	40	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CCFF)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CCFF)	129.5405	0.630	2	129.5405	0.397	2	128.4989	4.111	40	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	128.0300	1.954	5	128.0300	3.816	5	128.4989	4.111	40	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CClHH)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]H)(CClHH)	129.4060	0.000	1	129.4060	0.000	1	128.4989	4.111	40	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CF3)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CF3)	129.5355	0.238	2	129.5355	0.057	2	128.4989	4.111	40	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CH3)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CH3)	128.9554	0.874	10	128.9554	0.764	10	128.4989	4.111	40	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CHHN)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CHHN)	130.0460	0.000	1	130.0460	0.000	1	128.4989	4.111	40	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CHHO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]H)(CHHO)	129.5430	0.000	1	130.2735	1.067	2	128.4989	4.111	40	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CHHO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CHHO)	131.0040	0.000	1	130.2735	1.067	2	128.4989	4.111	40	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CHHP)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CHHP)	129.9660	0.000	1	129.9660	0.000	1	128.4989	4.111	40	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CHHS)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CHHS)	126.9160	0.000	1	126.9160	0.000	1	128.4989	4.111	40	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(CC[6a]H)(CRu2C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]H)(CRu2C)	129.9190	0.000	1	129.9190	0.000	1	128.4989	4.111	40	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]N[6a])(CC[6a]H)(CH3)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]H)(CH3)	129.1360	0.000	1	129.1360	0.000	1	128.4989	4.111	40	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:C-4:	C(C[6a]C[6a]2)(CN[5]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(N[5]C[5]N[5])(CC[6a]H)(CCHO)	C(C[6a]C[6a]2)(CN[5]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(N[5]C[5]N[5])(CC[6a]H)(CCHO)	125.7507	2.255	6	125.7507	5.085	6	125.7507	5.085	6	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(N[5a]C[5a]N[5a])(CC[6a]H)(CCHO)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]H)(CCHO)	126.5405	0.511	2	126.5405	0.261	2	126.5405	0.261	2	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:C-4:	C(C[6a]C[6a]2)(CN[6]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(N[6]C[6]2)(CC[6a]H)(CF3)	C(C[6a]C[6a]2)(CN[6]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(N[6]C[6]2)(CC[6a]H)(CF3)	130.4130	0.000	1	130.4130	0.000	1	130.4130	0.000	1	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	P[4]-3:C-3:C-4:	C(C[6a]C[6a]2)(CP[4]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(P[4]C[4,6a]C[4])(CC[6a]H)(CH3)	C(C[6a]C[6a]2)(CP[4]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(P[4]C[4,6a]C[4])(CC[6a]H)(CH3)	131.8220	0.000	1	131.8220	0.000	1	131.8220	0.000	1	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CC[6]H)(CH3)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	C(CC[6a]O)(CC[6]H)(CH3)	120.9060	0.000	1	120.9060	0.000	1	120.0268	1.506	15	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(CC[6a]H)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(CCHH)	119.0678	0.602	5	119.0678	0.363	5	120.0268	1.506	15	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCO)	C(CC[6a]C[5])(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCO){1|C<4>,2|C<3>,2|H<1>}	C(CC[6a]C[5])(CC[6a]O)(CH3)	120.8200	0.000	1	120.8200	0.000	1	120.0268	1.506	15	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]C)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]O)(CH3)	119.6760	0.000	1	119.6760	0.000	1	120.0268	1.506	15	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]H)(CC[6a]O)(CC3)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(CC3)	119.7880	1.037	3	119.7880	1.075	3	120.0268	1.506	15	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]H)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(CH3)	119.6700	0.000	1	119.6700	0.000	1	120.0268	1.506	15	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]N)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]N)(CC[6a]O)(CCHH)	122.3185	0.742	2	122.3185	0.550	2	120.0268	1.506	15	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]O)2(CCO)	C(CC[6a]H)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(CCHH)	119.9900	0.000	1	119.9900	0.000	1	120.0268	1.506	15	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:S-4:	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]H)(CC[6a]O)(SCOO)	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(SCOO)	119.3770	0.000	1	119.3770	0.000	1	119.3770	0.000	1	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:C-4:	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NC[6a]O)(CHHO)	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]O)(CHHO)	116.5850	0.000	1	116.5850	0.000	1	116.5850	0.000	1	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6]C[6]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]O)(CH3)	118.5985	0.230	2	118.5985	0.053	2	118.4602	0.304	5	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6]C[6]O[6])(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6]C[6]O[6])(CC[6a]O)(CH3)	117.9400	0.028	2	117.9400	0.001	2	118.4602	0.304	5	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6]N[5,6]C[6])(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6]N[5,6]C[6])(CC[6a]O)(CH3)	119.2240	0.000	1	119.2240	0.000	1	118.4602	0.304	5	127.2476	19.180	123	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	C(CC[6a]Br)(CC3)(H)	C(C[6a]C[6a]2)(CCH)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	C(CC[6a]Br)(CC3)(H)	131.2470	0.000	1	131.2470	0.000	1	131.2470	0.000	1	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:I-1:	C(C[6a]C[6a]2)(CSiI)(Cl)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CClC)	C(CC[6a]Cl)(SiC3)(I)	C(C[6a]C[6a]2)(CSiI)(Cl)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CClC){1|H<1>,4|C<3>}	C(CC[6a]Cl)(SiC3)(I)	124.6480	1.407	2	124.6480	1.980	2	124.6480	1.980	2	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CH3)(H)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CCH){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C(CC[6a]H)(CH3)(H)	129.4565	0.524	2	129.4565	0.275	2	129.4565	0.275	2	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[5a,6a]C[6a])(CCH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CHHN)(H)	C(C[6a]C[5a,6a]C[6a])(CCH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(CC[6a]H)(CHHN)(H)	126.1250	0.000	1	126.1250	0.000	1	126.1250	0.000	1	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCHH)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(CC[6a]H)(CCHH)(H)	126.8687	1.855	3	126.8687	3.441	3	126.3932	2.174	5	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CHHS)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(CC[6a]H)(CHHS)(H)	125.9240	0.000	1	125.9240	0.000	1	126.3932	2.174	5	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CSiHO)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(CC[6a]H)(CSiHO)(H)	125.4360	0.000	1	125.4360	0.000	1	126.3932	2.174	5	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:Cl-1:	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(CF3)(Cl)	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CF3)(Cl)	127.8630	0.000	1	127.8630	0.000	1	129.5818	2.377	5	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:Cl-1:	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CF3)(Cl)	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CF3)(Cl)	128.8080	0.000	1	128.8080	0.000	1	129.5818	2.377	5	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:Cl-1:	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHHN)(Cl)	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHN)(Cl)	130.4127	1.394	3	130.4127	1.942	3	129.5818	2.377	5	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:F-1:	C(C[6a]C[6a]2)(CCF)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CHHS)(F)	C(C[6a]C[6a]2)(CCF)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(CHHS)(F)	130.7670	0.000	1	130.7670	0.000	1	130.7670	0.000	1	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CCH)	C(CC[6a]H)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]C)(CCH){1|C<3>,2|C<4>}	C(CC[6a]H)(CCHH)(H)	124.0310	0.000	1	124.0310	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CH3)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH){1|O<2>,2|C<3>}	C(CC[6a]H)(CH3)(H)	128.0450	1.393	2	128.0450	1.940	2	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CCH){1|H<1>,4|C<3>}	C(CC[6a]H)(CCHH)(H)	132.5950	0.000	1	132.5950	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(CCCH)(H)	127.3630	0.000	1	127.3630	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(CCHH)(H)	129.8040	0.000	1	129.8040	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CCCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]O)(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(CCCH)(H)	129.9215	0.378	2	129.9215	0.143	2	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C(CC[6a]H)(CCCH)(H)	123.6370	0.000	1	123.8225	0.069	2	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|N<2>,2|C<3>,2|H<1>}	C(CC[6a]H)(CCCH)(H)	124.0080	0.000	1	123.8225	0.069	2	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCCH)(H)	124.3070	0.000	1	124.3070	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CCHH)(H)	126.2585	0.732	2	125.7366	5.406	13	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|O<2>}	C(CC[6a]H)(CCHH)(H)	125.0224	1.546	10	125.7366	5.406	13	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(CCHH)(H)	131.8350	0.000	1	125.7366	5.406	13	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CHHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHN)(H)	131.7820	0.000	1	131.7820	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CCHO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CCHO)(H)	122.6840	0.000	1	122.6840	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CH3)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CH3)(H)	125.0090	0.000	1	125.0090	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(CCH)	C(CC[6a]H)(CH3)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(CCH){3|C<3>}	C(CC[6a]H)(CH3)(H)	125.8090	0.000	1	125.8090	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CCH)	C(CC[6a]H)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(CCH){1|C<3>,2|O<2>}	C(CC[6a]H)(CCHH)(H)	123.2285	0.359	2	123.2285	0.129	2	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CHHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHN)(H)	126.2130	0.000	1	126.2130	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)2(CCH)	C(CC[6a]H)(CCCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCCO)(H)	124.6580	2.554	2	124.6580	6.523	2	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCHH)(H)	127.1630	0.000	1	127.1630	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(CCHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCHN)(H)	128.3900	0.000	1	128.3900	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(CF3)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CF3)(H)	125.5780	0.000	1	125.5780	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CCHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCHN)(H)	125.4960	0.000	1	125.4960	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CH3)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CH3)(H)	128.2030	0.000	1	128.1110	0.439	3	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CH3)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(CH3)(H)	128.0650	0.931	2	128.1110	0.439	3	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH)	C(CC[6a]H)(CF3)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH){2|C<3>}	C(CC[6a]H)(CF3)(H)	125.2950	0.420	6	125.2950	0.176	6	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC3)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC3)(H)	126.5710	0.000	1	127.3455	1.200	2	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC3)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	C(CC[6a]H)(CC3)(H)	128.1200	0.000	1	127.3455	1.200	2	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCCH)(H)	126.9385	1.003	26	126.9385	1.006	26	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCCN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCCN)(H)	127.2580	2.516	2	127.2580	6.330	2	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Br<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(CCCO)(H)	127.3110	0.000	1	126.2892	1.385	19	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCCO)(H)	126.2324	1.184	18	126.2892	1.385	19	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCFF)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCFF)(H)	128.5907	2.333	4	128.5907	5.445	4	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCFH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCFH)(H)	127.6766	0.565	5	127.6766	0.319	5	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|C<4>}	C(CC[6a]H)(CCHH)(H)	115.2150	0.000	1	126.3369	7.781	21	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCHH)(H)	126.8248	1.162	16	126.3369	7.781	21	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	C(CC[6a]H)(CCHH)(H)	127.6643	1.026	3	126.3369	7.781	21	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(CCHH)(H)	125.6690	0.000	1	126.3369	7.781	21	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CCHN)(H)	127.6990	0.606	3	127.1310	0.727	22	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCHN)(H)	126.9552	0.800	18	127.1310	0.727	22	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	C(CC[6a]H)(CCHN)(H)	128.5930	0.000	1	127.1310	0.727	22	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCHO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCHO)(H)	126.7880	1.210	12	126.8150	1.352	13	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCHO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(CCHO)(H)	127.1390	0.000	1	126.8150	1.352	13	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCHP)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCHP)(H)	126.4878	0.454	4	126.4878	0.206	4	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCHS)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCHS)(H)	126.8032	0.761	4	126.8032	0.579	4	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCdOO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCdOO)(H)	126.6010	0.000	1	126.6010	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CH3)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CH3)(H)	118.7780	0.000	1	118.7780	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHN)(H)	127.1855	1.365	24	127.1855	1.864	24	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHHO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHO)(H)	127.0052	0.888	5	126.9068	0.689	6	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHHO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	C(CC[6a]H)(CHHO)(H)	126.4150	0.000	1	126.9068	0.689	6	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHHS)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHS)(H)	127.3950	0.000	1	127.3950	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHOP)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHOP)(H)	125.6840	0.000	1	125.6840	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHSS)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHSS)(H)	124.6590	0.000	1	124.6590	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CNiCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CNiCH)(H)	127.7940	0.000	1	127.7940	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CNiOO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CNiOO)(H)	126.5330	0.000	1	126.5330	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(COOU)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(COOU)(H)	128.0970	0.177	3	128.0970	0.031	3	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CPdCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CPdCO)(H)	126.3150	0.000	1	126.3150	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CSeHH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CSeHH)(H)	126.7180	0.000	1	126.7180	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CF3)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCH){1|C<3>,2|C<4>,2|H<1>}	C(CC[6a]H)(CF3)(H)	129.7480	0.000	1	129.7480	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]N[6])2(CCH)	C(CC[6a]H)(CHHO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]N[6])2(CCH){1|C<3>,2|H<1>,4|C<4>}	C(CC[6a]H)(CHHO)(H)	127.9580	0.000	1	127.9580	0.000	1	126.7273	3.431	212	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:I-1:	C(C[6a]C[6a]2)(CCI)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CRuCC)(I)	C(C[6a]C[6a]2)(CCI)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CRuCC)(I)	129.9140	0.000	1	129.9140	0.000	1	129.9140	0.000	1	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-4:H-1:	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(NH3)(H)	C(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NH3)(H)	118.0670	1.857	2	118.0670	3.448	2	118.0670	3.448	2	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-4:H-1:	C(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(SCOO)(H)	C(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,2|O<2>}	C(CC[6a]H)(SCOO)(H)	126.7105	0.325	2	126.7105	0.105	2	127.0216	2.694	7	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-4:H-1:	C(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(SCOO)(H)	C(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(SCOO)(H)	127.1460	1.987	5	127.1460	3.947	5	127.0216	2.694	7	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:H-1:	C(C[6a]C[6a]2)(CSiH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(SiC3)(H)	C(C[6a]C[6a]2)(CSiH)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|H<1>,4|C<3>}	C(CC[6a]H)(SiC3)(H)	128.0940	0.000	1	128.0940	0.000	1	128.1618	1.089	10	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:H-1:	C(C[6a]C[6a]2)(CSiH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(SiCCO)(H)	C(C[6a]C[6a]2)(CSiH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(SiCCO)(H)	127.8510	0.000	1	127.8510	0.000	1	128.1618	1.089	10	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:H-1:	C(C[6a]C[6a]2)(CSiH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(SiO3)(H)	C(C[6a]C[6a]2)(CSiH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(SiO3)(H)	128.2091	1.176	8	128.2091	1.383	8	128.1618	1.089	10	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:I-1:	C(C[6a]C[6a]2)(CCI)(I)	C[6a](C[6a]C[6a]H)2(CCI)	C(CC[6a]I)(CCHO)(I)	C(C[6a]C[6a]2)(CCI)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	C(CC[6a]I)(CCHO)(I)	127.5440	0.000	1	127.5440	0.000	1	126.6200	4.247	3	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:I-1:	C(C[6a]C[6a]2)(CCI)(I)	C[6a](C[6a]C[6a]H)2(CCI)	C(CC[6a]I)(CHOO)(I)	C(C[6a]C[6a]2)(CCI)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	C(CC[6a]I)(CHOO)(I)	126.1580	2.686	2	126.1580	7.212	2	126.6200	4.247	3	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-1:	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCHH)(O)	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCHH)(O)	119.1180	0.000	1	119.1180	0.000	1	119.7900	0.903	2	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-1:	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CH3)(O)	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]O)(CH3)(O)	120.4620	0.000	1	120.4620	0.000	1	119.7900	0.903	2	126.7664	4.594	254	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CHHN)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CHHN)(CN)	132.0090	0.000	1	132.0090	0.000	1	130.6222	3.504	13	128.4523	13.686	23	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CBrHH)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CBrHH)(CN)	126.7270	0.000	1	126.7270	0.000	1	130.6222	3.504	13	128.4523	13.686	23	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CHHO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHO)(CN)	129.0390	0.000	1	129.0390	0.000	1	130.6222	3.504	13	128.4523	13.686	23	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CHHO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHO)(CN)	127.4170	0.000	1	127.4170	0.000	1	130.6222	3.504	13	128.4523	13.686	23	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCHH)(CC)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCHH)(CC)	129.6250	0.000	1	129.6250	0.000	1	130.6222	3.504	13	128.4523	13.686	23	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHHN)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHN)(CN)	131.0410	0.250	2	131.0410	0.063	2	130.6222	3.504	13	128.4523	13.686	23	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHHO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHO)(CN)	132.0145	0.631	4	132.0145	0.398	4	130.6222	3.504	13	128.4523	13.686	23	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHHS)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHS)(CN)	131.5655	0.176	2	131.5655	0.031	2	130.6222	3.504	13	128.4523	13.686	23	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CF3)(OS)	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CF3)(OS)	128.3290	0.000	1	128.3290	0.000	1	128.6110	0.159	2	128.4523	13.686	23	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCHH)(OC)	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCHH)(OC)	128.8930	0.000	1	128.8930	0.000	1	128.6110	0.159	2	128.4523	13.686	23	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:S-2:	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CCHH)(SC)	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCHH)(SC)	129.1020	0.054	2	129.1020	0.003	2	129.1020	0.003	2	128.4523	13.686	23	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:C-2:	C(C[6a]C[6a]2)(CSiC)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCH)	C(CC[6a]H)(SiC3)(CC)	C(C[6a]C[6a]2)(CSiC)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCH){1|C<3>,1|H<1>}	C(CC[6a]H)(SiC3)(CC)	128.7720	0.000	1	128.7720	0.000	1	128.7720	0.000	1	128.4523	13.686	23	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-2:	C(C[6a]C[6a]2)(CCC)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCI)	C(CC[6a]I)(CH3)(CN)	C(C[6a]C[6a]2)(CCC)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCI){1|H<1>,2|C<3>}	C(CC[6a]I)(CH3)(CN)	125.0190	0.000	1	125.0190	0.000	1	125.0190	0.000	1	128.4523	13.686	23	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-2:	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CH3)(NO)	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CH3)(NO)	121.4935	0.053	2	121.4935	0.003	2	121.4935	0.003	2	128.4523	13.686	23	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:C-2:	C(C[6a]C[6a]2)(CSiC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(SiC3)(CC)	C(C[6a]C[6a]2)(CSiC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(SiC3)(CC)	122.0555	2.491	2	122.0555	6.206	2	122.0555	6.206	2	128.4523	13.686	23	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-3:	C(C[6a]C[6a]2)(CC[6a]S)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]Br)	C(C[6a]C[6a]2)(CC[6a]S)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]Br)	124.8640	0.000	1	124.8640	0.000	1	124.8640	0.000	1	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(Cl)	C[6a](C[6a]C[6a]H)2(CClC)	C(CC[6a]Cl)(CC[5]HH)(CNO)	C(C[6a]C[6a]2)(CCC)(Cl)	C[6a](C[6a]C[6a]H)2(CClC){1|C<3>,2|H<1>}	C(CC[6a]Cl)(CC[5]HH)(CNO)	126.1510	0.000	1	126.1510	0.000	1	126.1510	0.000	1	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(CCN)(Cl)	C[6a](C[6a]C[6a]H)2(CClC)	C(CC[6a]Cl)(CClHH)(NHS)	C(C[6a]C[6a]2)(CCN)(Cl)	C[6a](C[6a]C[6a]H)2(CClC){1|C<3>,2|H<1>}	C(CC[6a]Cl)(CClHH)(NHS)	128.4740	0.000	1	128.4740	0.000	1	128.4740	0.000	1	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[5,6a]C[6a])(CCC)(H)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCCH)(COO)	C(C[6a]C[5,6a]C[6a])(CCC)(H)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(CC[6a]H)(CCCH)(COO)	130.2490	0.000	1	130.2490	0.000	1	130.2490	0.000	1	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CH3)(CCH)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|N<2>,2|C<3>,2|H<1>}	C(CC[6a]H)(CH3)(CCH)	127.2850	0.249	2	127.2850	0.062	2	127.3283	0.037	3	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CHHN)(COO)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(CC[6a]H)(CHHN)(COO)	127.4150	0.000	1	127.4150	0.000	1	127.3283	0.037	3	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:N-3:	C(C[6a]C[6a,6a]C[6a])(CCN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CH3)(NOO)	C(C[6a]C[6a,6a]C[6a])(CCN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){1|H<1>,1|N<3>,3|C<3>}	C(CC[6a]H)(CH3)(NOO)	124.9370	0.000	1	124.9370	0.000	1	124.9370	0.000	1	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:B-3:	C(C[6a]C[6a]2)(CBC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHHO)(BOO)	C(C[6a]C[6a]2)(CBC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHO)(BOO)	125.6160	0.000	1	125.6160	0.000	1	125.6160	0.000	1	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCH)	C(CC[6a]H)(CHHN)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CHHN)(COO)	124.7880	0.000	1	124.7880	0.000	1	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CBrHH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CBrHH)(COO)	133.5020	0.000	1	133.5020	0.000	1	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCCH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(CC[6a]H)(CCCH)(COO)	123.4710	0.000	1	123.4710	0.000	1	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CH3)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CCH){1|O<2>,2|C<3>}	C(CC[6a]H)(CH3)(CCO)	135.2585	0.128	2	135.2585	0.016	2	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CH3)(CNO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CH3)(CNO)	123.8160	0.000	1	123.8160	0.000	1	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCCH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCCH)(COO)	131.2920	0.000	1	131.2920	0.000	1	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CHHI)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHI)(COO)	130.5450	1.379	2	130.5450	1.901	2	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CHHN)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHN)(COO)	131.5340	0.000	1	128.4020	19.619	2	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CHHN)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|O<2>}	C(CC[6a]H)(CHHN)(COO)	125.2700	0.000	1	128.4020	19.619	2	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CHHO)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHO)(COO)	128.3690	0.000	1	128.3690	0.000	1	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CHHS)(CNO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHS)(CNO)	128.3020	0.000	1	128.3020	0.000	1	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CBrHH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CBrHH)(COO)	127.1130	3.162	2	127.1130	9.999	2	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCHH)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCHH)(CCO)	127.1450	0.000	1	127.1450	0.000	1	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CHHO)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHO)(COO)	126.8032	0.455	4	126.8032	0.207	4	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCHH)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCHH)(CCO)	128.3880	0.000	1	128.3880	0.000	1	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CCHH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCHH)(COO)	126.9030	0.000	1	126.9030	0.000	1	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(CCHH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCHH)(COO)	126.7830	0.000	1	126.7830	0.000	1	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(CH3)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CH3)(CCO)	126.6380	0.000	1	126.6380	0.000	1	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CCHH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCHH)(COO)	123.1960	0.000	1	123.1960	0.000	1	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CClHH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CClHH)(COO)	128.3960	0.000	1	128.3960	0.000	1	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6a]H)(CH3)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CH3)(CCO)	128.9205	0.173	2	128.9205	0.030	2	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CBrHH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(CBrHH)(COO)	130.6270	1.113	2	130.6270	1.239	2	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCCH)(CHO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCCH)(CHO)	128.4780	0.000	1	128.4780	0.000	1	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCCN)(CCH)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCCN)(CCH)	127.7430	0.773	3	127.7430	0.597	3	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCCO)(CCH)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCCO)(CCH)	127.7805	0.692	2	127.7805	0.479	2	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCHH)(CCH)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]H)(CCHH)(CCH)	128.2365	0.203	2	128.2365	0.041	2	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCHH)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCHH)(CCO)	129.3708	0.620	5	129.3708	0.384	5	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCHH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCHH)(COO)	129.7973	1.119	9	129.7973	1.252	9	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CF3)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CF3)(COO)	131.3320	0.000	1	131.3320	0.000	1	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CH3)(CCC)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CH3)(CCC)	127.8925	1.129	2	127.8925	1.275	2	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CH3)(CCH)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CH3)(CCH)	127.1950	0.000	1	127.1950	0.000	1	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CH3)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CH3)(CCO)	128.5565	0.258	2	128.5565	0.067	2	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CH3)(CHN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CH3)(CHN)	130.4588	1.198	12	130.4588	1.435	12	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CH3)(CNO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CH3)(CNO)	128.0890	0.000	1	128.0890	0.000	1	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CH3)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CH3)(COO)	128.4462	1.473	6	128.4462	2.170	6	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHHN)(CCH)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHN)(CCH)	127.7090	0.000	1	127.7090	0.000	1	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHHN)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHN)(COO)	128.6260	1.700	6	128.6260	2.890	6	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHHO)(CCH)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHO)(CCH)	129.0320	0.000	1	129.0320	0.000	1	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHHO)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHO)(CCO)	130.0525	0.352	4	130.0525	0.124	4	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHHO)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHO)(COO)	129.6537	1.381	10	129.6537	1.906	10	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHHP)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHP)(COO)	130.4235	2.737	2	130.4235	7.492	2	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHHS)(CNO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CHHS)(CNO)	127.8170	0.000	1	129.4180	5.126	2	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHHS)(CNO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHS)(CNO)	131.0190	0.000	1	129.4180	5.126	2	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHHS)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHS)(COO)	132.5400	0.000	1	132.5400	0.000	1	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CPdHH)(CCC)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CPdHH)(CCC)	129.3150	0.000	1	129.3150	0.000	1	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CPdHH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CPdHH)(COO)	129.9285	1.828	2	129.9285	3.341	2	129.0751	4.502	107	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]F)(CCH)	C(CC[6a]H)(CH3)(NOO)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]F)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]H)(CH3)(NOO)	127.8710	0.000	1	127.8710	0.000	1	128.2288	9.958	16	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CH3)(NOO)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]H)(CH3)(NOO)	132.2490	0.283	2	132.2490	0.080	2	128.2288	9.958	16	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(CH3)(NOO)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|C<4>,1|O<2>}	C(CC[6a]H)(CH3)(NOO)	125.4090	0.000	1	125.0785	0.218	2	128.2288	9.958	16	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6a]H)(CH3)(NOO)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CH3)(NOO)	124.7480	0.000	1	125.0785	0.218	2	128.2288	9.958	16	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCHH)(NNiH)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCHH)(NNiH)	131.9970	0.000	1	131.9970	0.000	1	128.2288	9.958	16	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCHH)(NOO)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCHH)(NOO)	130.6640	0.000	1	130.6640	0.000	1	128.2288	9.958	16	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCHO)(NOO)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCHO)(NOO)	128.2540	0.000	1	128.2540	0.000	1	128.2288	9.958	16	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CH3)(NCO)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CH3)(NCO)	129.9920	0.000	1	129.9920	0.000	1	128.2288	9.958	16	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CH3)(NOO)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]H)(CH3)(NOO)	128.3945	0.115	2	128.7425	0.809	4	128.2288	9.958	16	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CH3)(NOO)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CH3)(NOO)	129.0905	1.389	2	128.7425	0.809	4	128.2288	9.958	16	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHHO)(NNiC)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHO)(NNiC)	120.2710	0.000	1	120.2710	0.000	1	128.2288	9.958	16	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHHO)(NOO)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHO)(NOO)	126.4935	0.837	2	126.4935	0.700	2	128.2288	9.958	16	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:C-3:	C(C[6a]C[6a]2)(CCP)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(PO3)(CNO)	C(C[6a]C[6a]2)(CCP)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(PO3)(CNO)	131.0083	0.086	3	131.0083	0.007	3	131.0083	0.007	3	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:Ga-3:	C(C[6a]C[6a]2)(CGaSi)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(SiC3)(GaCC)	C(C[6a]C[6a]2)(CGaSi)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(SiC3)(GaCC)	127.3340	4.053	2	126.7947	5.925	4	126.7947	5.925	4	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:Ga-3:	C(C[6a]C[6a]2)(CGaSi)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(SiC3)(GaCC)	C(C[6a]C[6a]2)(CGaSi)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|H<1>,2|C<3>}	C(CC[6a]H)(SiC3)(GaCC)	126.2555	0.429	2	126.7947	5.925	4	126.7947	5.925	4	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2)(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]HH)(CC[6a]H)	129.2320	0.000	1	128.3780	1.459	2	128.3780	1.459	2	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2)(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a]HH)(CC[6a]H)	127.5240	0.000	1	128.3780	1.459	2	128.3780	1.459	2	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[5]-4:C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(CC[6a]H)	130.4800	0.059	2	130.4800	0.004	2	130.4800	0.004	2	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(CC[6a]C[6])(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]C[6])(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]H)	129.5410	0.000	1	129.5410	0.000	1	129.5410	0.000	1	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:C-3:	C(C[6a]C[6a]2)(CC[6a]P)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CCH)	C(C[6a]C[6a]2)(PC[6a]2Pt)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]P)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(PC[6a]2Pt)(CC[6a]H)	132.1215	0.841	2	132.1215	0.707	2	132.1215	0.707	2	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-3:	C(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]H)	131.3210	0.000	1	131.3210	0.000	1	129.2160	1.701	6	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-3:	C(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]H)	129.1795	0.277	4	128.7950	0.797	5	129.2160	1.701	6	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-3:	C(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]H)	127.2570	0.000	1	128.7950	0.797	5	129.2160	1.701	6	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:Si-4:C-3:	C(C[6a]C[6a]2)(CC[6a]Si)(H)	C[6a](C[6a]C[6a]C)2(CCH)	C(C[6a]C[6a]2)(SiC[6a]3)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]Si)(H)	C[6a](C[6a]C[6a]C)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(SiC[6a]3)(CC[6a]H)	130.6910	0.000	1	130.6910	0.000	1	130.7820	1.174	7	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:Si-4:C-3:	C(C[6a]C[6a]2)(CC[6a]Si)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6a]C[6a]2)(SiC[6a]2Si)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]Si)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(SiC[6a]2Si)(CC[6a]H)	130.7972	1.186	6	130.7972	1.407	6	130.7820	1.174	7	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:Ge-4:C-3:	C(C[6a]C[6a]2)(CN[5]Ge)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(N[5]C[5]2)(GeC[6a]3)(CC[6a]H)	C(C[6a]C[6a]2)(CN[5]Ge)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(N[5]C[5]2)(GeC[6a]3)(CC[6a]H)	131.0827	0.614	3	131.0827	0.377	3	131.0827	0.377	3	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:I-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCI)	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]I)	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCI){1|C<4>,1|H<1>,5|C<3>}	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]I)	130.4170	0.000	1	130.3320	0.014	2	130.3320	0.014	2	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:I-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCI)	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]I)	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCI){2|H<1>,5|C<3>}	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]I)	130.2470	0.000	1	130.3320	0.014	2	130.3320	0.014	2	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[3]-4:C-3:	C(C[6a]C[6a]2)(CC[5a]C[3])(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCI)	C(C[5a]C[5a]N[5a])(C[3]C[3]2H)(CC[6a]I)	C(C[6a]C[6a]2)(CC[5a]C[3])(I)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCI){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(C[3]C[3]2H)(CC[6a]I)	128.0850	0.000	1	128.0850	0.000	1	128.0850	0.000	1	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-3:	C(C[6a]C[6a]2)(CC[6a]S)(I)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCI)	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]I)	C(C[6a]C[6a]2)(CC[6a]S)(I)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCI){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]I)	129.4090	0.693	2	129.4090	0.480	2	129.4090	0.480	2	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a,6a]2)(CCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCO)	C(CC[6a]O)(CH3)(CHH)	C(C[6a]C[6a,6a]2)(CCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCO){2|H<1>,5|C<3>}	C(CC[6a]O)(CH3)(CHH)	120.1130	0.000	1	120.1130	0.000	1	120.1130	0.000	1	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCO)	C(CC[6a]O)(CH3)(CCH)	C(C[6a]C[6a,6a]C[6a])(CCC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCO){1|C<4>,1|O<2>,3|C<3>}	C(CC[6a]O)(CH3)(CCH)	117.2250	0.000	1	117.2250	0.000	1	118.6730	4.193	2	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6,6a]O)(CCO)	C(CC[6a]O)(CH3)(CCH)	C(C[6a]C[6a,6a]C[6a])(CCC)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6,6a]O)(CCO){4|C<3>}	C(CC[6a]O)(CH3)(CCH)	120.1210	0.000	1	120.1210	0.000	1	118.6730	4.193	2	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CCFF)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCFF)(CCC)	122.0730	0.833	2	122.0730	0.694	2	120.9605	2.137	15	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CH3)(CCN)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CH3)(CCN)	119.2740	0.000	1	119.2740	0.000	1	120.9605	2.137	15	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)(CH3)(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]O)(CH3)(CCH)	120.8765	2.121	2	120.8765	4.497	2	120.9605	2.137	15	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CCHH)(CHH)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]O)(CCHH)(CHH)	119.2280	0.000	1	119.2280	0.000	1	120.9605	2.137	15	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCHH)(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCHH)(CCH)	123.1580	0.000	1	123.1580	0.000	1	120.9605	2.137	15	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCHH)(CHH)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCHH)(CHH)	121.5760	0.000	1	121.5760	0.000	1	120.9605	2.137	15	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCHH)(CSS)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]O)(CCHH)(CSS)	120.5360	0.000	1	120.5360	0.000	1	120.9605	2.137	15	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CH3)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CH3)(CCC)	117.8940	0.000	1	117.8940	0.000	1	120.9605	2.137	15	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CH3)(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CH3)(CCH)	121.5880	0.000	1	121.5880	0.000	1	120.9605	2.137	15	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CH3)(CHN)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CH3)(CHN)	121.5300	0.269	3	121.5300	0.072	3	120.9605	2.137	15	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CHHN)(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CHHN)(CCH)	120.6640	0.000	1	120.6640	0.000	1	120.9605	2.137	15	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-4:C-3:	C(C[6a]C[6a]2)(CC[5]2)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2N)(CC[6a]O)	C(C[6a]C[6a]2)(CC[5]2)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2N)(CC[6a]O)	118.8520	0.000	1	118.8520	0.000	1	118.4625	0.303	2	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-4:C-3:	C(C[6a]C[6a]2)(CC[5]2)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2O)(CC[6a]O)	C(C[6a]C[6a]2)(CC[5]2)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[5]C[5,6a]2O)(CC[6a]O)	118.0730	0.000	1	118.0730	0.000	1	118.4625	0.303	2	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:Se-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-3:	C(C[6a]C[6a]2)(CC[6a]S)(Se)	C[6a](C[6a]C[6a]H)2(CSeC)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]Se)	C(C[6a]C[6a]2)(CC[6a]S)(Se)	C[6a](C[6a]C[6a]H)2(CSeC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]Se)	124.7780	0.000	1	124.7780	0.000	1	124.7780	0.000	1	128.0949	11.849	188	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCC)(Cl)	C[6a](C[6a]C[6a]H)2(CClC)	C(CC[6a]Cl)(CF3)(CH3)	C(C[6a]C[6a]2)(CCC)(Cl)	C[6a](C[6a]C[6a]H)2(CClC){1|C<3>,2|H<1>}	C(CC[6a]Cl)(CF3)(CH3)	130.8420	0.000	1	130.8420	0.000	1	130.8420	0.000	1	129.1340	3.713	22	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH)	C(CC[6a]H)(CCHH)(CF3)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(CC[6a]H)(CCHH)(CF3)	127.4950	0.000	1	127.4950	0.000	1	127.4950	0.000	1	129.1340	3.713	22	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CH3)2	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|N<2>,2|C<3>,2|H<1>}	C(CC[6a]H)(CH3)2	127.4360	0.000	1	127.4360	0.000	1	129.4455	3.787	16	129.1340	3.713	22	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(CRuCH)(CHHP)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CRuCH)(CHHP)	132.6215	0.317	2	132.6215	0.101	2	129.4455	3.787	16	129.1340	3.713	22	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(CCH)	C(CC[6a]H)(CCHH)(CH3)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(CCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]H)(CCHH)(CH3)	130.1200	0.000	1	130.1200	0.000	1	129.4455	3.787	16	129.1340	3.713	22	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CC3)(CH3)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CC3)(CH3)	131.9930	0.000	1	131.9930	0.000	1	129.4455	3.787	16	129.1340	3.713	22	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCCF)(CCHH)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCCF)(CCHH)	128.4210	0.000	1	128.4210	0.000	1	129.4455	3.787	16	129.1340	3.713	22	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCCH)(CC3)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCCH)(CC3)	128.7150	0.000	1	128.7150	0.000	1	129.4455	3.787	16	129.1340	3.713	22	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCHH)(CC3)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCHH)(CC3)	128.9500	0.211	2	128.9500	0.044	2	129.4455	3.787	16	129.1340	3.713	22	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CCHH)2	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CCHH)2	126.2190	0.000	1	126.2190	0.000	1	129.4455	3.787	16	129.1340	3.713	22	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CFeHH)(CH3)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CFeHH)(CH3)	129.4365	0.858	2	129.4365	0.736	2	129.4455	3.787	16	129.1340	3.713	22	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHHN)(CH3)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHN)(CH3)	128.9040	0.000	1	128.9040	0.000	1	129.4455	3.787	16	129.1340	3.713	22	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CHHO)(CH3)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CHHO)(CH3)	127.7220	0.460	2	127.7220	0.211	2	129.4455	3.787	16	129.1340	3.713	22	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(CRhCC)(CCHH)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(CRhCC)(CCHH)	131.8600	0.000	1	131.8600	0.000	1	129.4455	3.787	16	129.1340	3.713	22	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:Ga-4:Si-4:	C(C[6a]C[6a]2)(CGaSi)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	C(CC[6a]H)(GaCl2O)(SiC3)	C(C[6a]C[6a]2)(CGaSi)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|Br<1>,1|C<3>,1|H<1>}	C(CC[6a]H)(GaCl2O)(SiC3)	127.2080	0.000	1	127.2080	0.000	1	127.3547	2.224	3	129.1340	3.713	22	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:Ga-4:Si-4:	C(C[6a]C[6a]2)(CGaSi)(H)	C[6a](C[6a]C[6a]F)2(CCH)	C(CC[6a]H)(GaCl2O)(SiC3)	C(C[6a]C[6a]2)(CGaSi)(H)	C[6a](C[6a]C[6a]F)2(CCH){1|C<3>,2|F<1>}	C(CC[6a]H)(GaCl2O)(SiC3)	127.4280	2.102	2	127.4280	4.416	2	127.3547	2.224	3	129.1340	3.713	22	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:Si-4:	C(C[6a]C[6a]2)(CSi2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(SiC3)2	C(C[6a]C[6a]2)(CSi2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(SiC3)2	129.4190	0.000	1	129.4190	0.000	1	129.4190	0.000	1	129.1340	3.713	22	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:5:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:B-5:H-1:	C(C[6a]C[6a]2)(CBH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(BRu2CH)(H)	C(C[6a]C[6a]2)(CBH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(BRu2CH)(H)	127.2995	1.389	2	127.2995	1.931	2	127.2995	1.931	2	127.2995	1.931	2	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	3:6:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:S-6:C-3:	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]H)(SF5)(COO)	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]H)(SF5)(COO)	141.3310	0.000	1	141.3310	0.000	1	141.3310	0.000	1	141.3310	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:Br-1:	C(C[6a]C[6a]2)(CBrC)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	C(CC[6a]CH)(CC[6a]Br)(Br)	C(C[6a]C[6a]2)(CBrC)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	C(CC[6a]CH)(CC[6a]Br)(Br)	125.4590	0.720	5	125.4590	0.518	5	125.4590	0.518	5	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	C(CC[6a]2H)(CC[6a]Br)(H)	C(C[6a]C[6a]2)(CCH)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	C(CC[6a]2H)(CC[6a]Br)(H)	126.1660	0.000	1	126.1660	0.000	1	126.1660	0.000	1	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(Br)	C[6a](C[6a]C[6a]H)2(CBrC)	C(C[6]C[6,6]C[6]H)(CC[6a]Br)(H)	C(C[6a]C[6a]2)(CC[6]H)(Br)	C[6a](C[6a]C[6a]H)2(CBrC){1|C<3>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6a]Br)(H)	128.7620	0.613	3	128.7620	0.376	3	128.7620	0.376	3	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(Cl)	C[6a](C[6a]C[6a]H)2(CClC)	C(CC[5a]2H)(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	C[6a](C[6a]C[6a]H)2(CClC){1|C<3>,2|H<1>}	C(CC[5a]2H)(CC[6a]Cl)(H)	125.6880	0.000	1	125.6880	0.000	1	126.6630	3.918	5	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(Cl)	C[6a](C[6a]C[6a]H)2(CClC)	C(CC[6a]2H)(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	C[6a](C[6a]C[6a]H)2(CClC){1|C<3>,2|H<1>}	C(CC[6a]2H)(CC[6a]Cl)(H)	125.0290	0.013	2	125.0290	0.000	2	126.6630	3.918	5	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(Cl)	C[6a](C[6a]C[6a]H)2(CClC)	C(CC[6a]CH)(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	C[6a](C[6a]C[6a]H)2(CClC){1|C<3>,2|H<1>}	C(CC[6a]CH)(CC[6a]Cl)(H)	128.7845	0.617	2	128.7845	0.381	2	126.6630	3.918	5	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(CHS)(Cl)	C[6a](C[6a]C[6a]H)2(CClC)	C(SC[6a]OO)(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CHS)(Cl)	C[6a](C[6a]C[6a]H)2(CClC){1|C<3>,2|H<1>}	C(SC[6a]OO)(CC[6a]Cl)(H)	131.4035	0.388	2	131.4035	0.151	2	129.3403	12.845	3	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(CHS)(Cl)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CClC)	C(SC[6a]OO)(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CHS)(Cl)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CClC){1|C<3>,1|C<4>,1|H<1>}	C(SC[6a]OO)(CC[6a]Cl)(H)	125.2140	0.000	1	125.2140	0.000	1	129.3403	12.845	3	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:C-3:	B[5,5]-4:C-3:I-1:	C(C[6a]C[6a]2)(CB[5,5]I)(F)	C[6a](C[6a]C[6a]H)2(CCF)	C(B[5,5]N[5,5]O[5]2)(CC[6a]F)(I)	C(C[6a]C[6a]2)(CB[5,5]I)(F)	C[6a](C[6a]C[6a]H)2(CCF){1|C<3>,2|H<1>}	C(B[5,5]N[5,5]O[5]2)(CC[6a]F)(I)	133.7830	2.331	2	133.7830	5.432	2	133.7830	5.432	2	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:F-1:	C[6a]-3:C[6a]-3:C-3:	Ge-4:C-3:F-1:	C(C[6a]C[6a]2)(CGeF)(F)	C[6a](C[6a]C[6a]H)2(CCF)	C(GeC[6a]3)(CC[6a]F)(F)	C(C[6a]C[6a]2)(CGeF)(F)	C[6a](C[6a]C[6a]H)2(CCF){1|C<3>,2|H<1>}	C(GeC[6a]3)(CC[6a]F)(F)	133.5950	0.000	1	133.5950	0.000	1	133.5950	0.000	1	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]2)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(CC[5]CH)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(CC[5]CH)(CC[6a]H)(H)	125.9850	0.000	1	125.9850	0.000	1	125.9850	0.000	1	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a,6a]2)(CC[3]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(C[3]C[3]2H)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CC[3]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(C[3]C[3]2H)(CC[6a]H)(H)	125.0600	0.000	1	125.0600	0.000	1	125.0600	0.000	1	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	Si[5]-4:C-3:H-1:	C(C[6a]C[6a,6a]2)(CSi[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(Si[5]C[5]2C)(CC[6a]H)(H)	C(C[6a]C[6a,6a]2)(CSi[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(Si[5]C[5]2C)(CC[6a]H)(H)	126.2330	0.000	1	126.2330	0.000	1	126.2330	0.000	1	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CN[6a]HH)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(CN[6a]HH)(CC[6a]H)(H)	126.0470	0.000	1	126.0470	0.000	1	126.4290	0.292	2	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(CN[5]2H)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(CN[5]2H)(CC[6a]H)(H)	126.8110	0.000	1	126.8110	0.000	1	126.4290	0.292	2	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH)	C(C[5]C[5]2Fe)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(C[5]C[5]2Fe)(CC[6a]H)(H)	126.4630	0.000	1	126.4630	0.000	1	126.5457	4.138	3	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(C[5]C[5]2Fe)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(C[5]C[5]2Fe)(CC[6a]H)(H)	124.5540	0.000	1	124.5540	0.000	1	126.5457	4.138	3	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH)	C(C[5]N[5]S[5]H)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CC[5]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(C[5]N[5]S[5]H)(CC[6a]H)(H)	128.6200	0.000	1	128.6200	0.000	1	126.5457	4.138	3	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	Si[5]-4:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CSi[5]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH)	C(Si[5]C[5]2C)(CC[6a]H)(H)	C(C[6a]C[6a,6a]C[6a])(CSi[5]H)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(Si[5]C[5]2C)(CC[6a]H)(H)	125.5310	0.000	1	125.5310	0.000	1	125.5310	0.000	1	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	B-4:C-3:H-1:	C(C[6a]C[6a]2)(CBH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(BC[6a]2O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CBH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(BC[6a]2O)(CC[6a]H)(H)	129.4570	0.000	1	129.4570	0.000	1	129.0035	0.411	2	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	B-4:C-3:H-1:	C(C[6a]C[6a]2)(CBH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(BC[6a]3)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CBH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(BC[6a]3)(CC[6a]H)(H)	128.5500	0.000	1	128.5500	0.000	1	129.0035	0.411	2	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	B[5,5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CB[5,5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(B[5,5]N[5,5]O[5]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CB[5,5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(B[5,5]N[5,5]O[5]2)(CC[6a]H)(H)	126.8840	0.000	1	126.8840	0.000	1	126.8840	0.000	1	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:Br-1:	C(C[6a]C[6a]2)(CBrC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6]CH)(CC[6a]H)(Br)	C(C[6a]C[6a]2)(CBrC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6]CH)(CC[6a]H)(Br)	131.3965	1.735	4	131.3965	3.011	4	131.3965	3.011	4	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:Cl-1:	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	C(CC[6a]HN)(CC[6a]H)(Cl)	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(CC[6a]HN)(CC[6a]H)(Cl)	123.4410	0.000	1	123.4410	0.000	1	123.2636	0.661	7	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:Cl-1:	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	C(CC[6a]HO)(CC[6a]H)(Cl)	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|C<4>,1|H<1>,3|C<3>}	C(CC[6a]HO)(CC[6a]H)(Cl)	123.4705	0.524	4	123.2340	0.786	6	123.2636	0.661	7	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:Cl-1:	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	C(CC[6a]HO)(CC[6a]H)(Cl)	C(C[6a]C[6a]2)(CClC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|H<1>,4|C<3>}	C(CC[6a]HO)(CC[6a]H)(Cl)	122.7610	1.561	2	123.2340	0.786	6	123.2636	0.661	7	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:F-1:	C(C[6a]C[6a]2)(CCF)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[5]HH)(CC[6a]H)(F)	C(C[6a]C[6a]2)(CCF)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(CC[5]HH)(CC[6a]H)(F)	130.6690	0.000	1	130.6690	0.000	1	130.1094	0.234	5	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:F-1:	C(C[6a]C[6a]2)(CCF)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6]HH)(CC[6a]H)(F)	C(C[6a]C[6a]2)(CCF)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6]HH)(CC[6a]H)(F)	130.5030	0.000	1	130.5030	0.000	1	130.1094	0.234	5	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:F-1:	C(C[6a]C[6a]2)(CCF)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]N[5a]H)(CC[6a]H)(F)	C(C[6a]C[6a]2)(CCF)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]N[5a]H)(CC[6a]H)(F)	129.7917	0.288	3	129.7917	0.083	3	130.1094	0.234	5	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[5]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(CC[5]HH)(CC[6a]H)(H)	127.9730	0.000	1	127.9730	0.000	1	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	C(CC[5a]CO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(CC[5a]CO)(CC[6a]H)(H)	126.3995	1.206	2	126.3995	1.454	2	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	C(CN[5]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(CN[5]HH)(CC[6a]H)(H)	128.1540	0.000	1	128.1540	0.000	1	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[5]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|O<2>}	C(CC[5]HH)(CC[6a]H)(H)	124.9870	1.025	3	124.9870	1.050	3	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH)	C(CC[6a]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCH){1|H<1>,2|C<3>}	C(CC[6a]HH)(CC[6a]H)(H)	139.9620	0.000	1	139.9620	0.000	1	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(CC[5]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[5]HH)(CC[6a]H)(H)	123.8980	1.260	2	123.8980	1.588	2	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH)	C(CC[5]CH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[5]CH)(CC[6a]H)(H)	130.6570	0.000	1	130.6570	0.000	1	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[6]2H)(CC[6a]H)(H)	128.6740	0.000	1	128.6740	0.000	1	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6]2H)(CC[6a]H)(H)	127.1010	0.000	1	127.1010	0.000	1	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CB[6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CB[6]C[6]2)(CC[6a]H)(H)	125.8480	0.000	1	125.8480	0.000	1	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[3]N[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[3]N[6]H)(CC[6a]H)(H)	126.3000	0.000	1	126.3000	0.000	1	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[3x3,4,3x5,14x6]HO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[3x3,4,3x5,14x6]HO)(CC[6a]H)(H)	126.1217	0.929	3	126.1217	0.863	3	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5,6]C[6a]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[5,6]C[6a]H)(CC[6a]H)(H)	128.6730	0.000	1	128.6730	0.000	1	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5,6]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[5,6]HH)(CC[6a]H)(H)	126.4070	0.000	1	126.4070	0.000	1	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[5]2H)(CC[6a]H)(H)	126.9590	0.000	1	126.9590	0.000	1	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5]CH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[5]CH)(CC[6a]H)(H)	125.9133	0.554	3	125.9133	0.307	3	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Br<1>,1|C<3>,1|H<1>}	C(CC[5]HH)(CC[6a]H)(H)	128.0140	0.000	1	127.7319	0.506	7	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[5]HH)(CC[6a]H)(H)	127.7890	0.809	5	127.7319	0.506	7	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[5]HH)(CC[6a]H)(H)	127.1640	0.000	1	127.7319	0.506	7	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5]HN)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[5]HN)(CC[6a]H)(H)	125.2890	0.000	2	125.2890	0.000	2	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5]Os2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[5]Os2)(CC[6a]H)(H)	126.7720	0.000	1	126.7720	0.000	1	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5a]C[6a]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[5a]C[6a]H)(CC[6a]H)(H)	127.4310	0.485	3	127.4310	0.235	3	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5a]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[5a]HH)(CC[6a]H)(H)	127.3040	1.311	3	127.3040	1.718	3	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6]2H)(CC[6a]H)(H)	125.9052	1.078	4	125.9052	1.162	4	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6]CH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6]CH)(CC[6a]H)(H)	127.3270	0.460	4	127.3270	0.211	4	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6]CO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6]CO)(CC[6a]H)(H)	125.3860	0.526	2	125.3860	0.277	2	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6]HH)(CC[6a]H)(H)	127.3576	0.853	7	127.3576	0.728	7	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6]HS)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6]HS)(CC[6a]H)(H)	126.1360	0.000	1	126.1360	0.000	1	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]2H)(CC[6a]H)(H)	127.4015	0.484	2	127.4015	0.235	2	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]CH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Br<1>,1|C<3>,1|H<1>}	C(CC[6a]CH)(CC[6a]H)(H)	126.8790	0.000	1	125.9754	0.987	11	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]CH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(CC[6a]H)(H)	125.8850	0.998	10	125.9754	0.987	11	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]CO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]CO)(CC[6a]H)(H)	126.6855	0.125	2	126.6855	0.016	2	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]C[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]C[5]H)(CC[6a]H)(H)	126.8214	0.835	7	126.8214	0.697	7	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]HH)(CC[6a]H)(H)	126.6020	1.005	6	126.6020	1.010	6	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]HN)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]HN)(CC[6a]H)(H)	126.9380	0.000	1	126.9380	0.000	1	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]HO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]HO)(CC[6a]H)(H)	127.6833	1.418	3	127.6833	2.011	3	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]HS)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]HS)(CC[6a]H)(H)	126.9606	1.173	5	126.9606	1.376	5	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]N[5a]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]N[5a]H)(CC[6a]H)(H)	126.4620	0.000	1	126.4620	0.000	1	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CN[5,5]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CN[5,5]HH)(CC[6a]H)(H)	127.8310	0.126	2	127.8310	0.016	2	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CN[5]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CN[5]HH)(CC[6a]H)(H)	125.9550	0.581	2	125.9550	0.338	2	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CN[5a]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CN[5a]HH)(CC[6a]H)(H)	126.0833	0.630	9	126.0833	0.397	9	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CN[6]HH)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CN[6]HH)(CC[6a]H)(H)	127.5222	1.071	12	127.5222	1.147	12	126.8636	2.894	121	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[3]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	C(C[3]C[3,5]2C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[3]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){1|C<4>,2|C<3>,3|H<1>}	C(C[3]C[3,5]2C)(CC[6a]H)(H)	130.5330	0.000	1	130.5330	0.000	1	127.1091	1.822	17	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[3]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[3]C[3,5]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[3]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[3]C[3,5]2H)(CC[6a]H)(H)	128.2860	0.734	2	128.2860	0.539	2	127.1091	1.822	17	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[3]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[3]C[3,5]N[3,5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[3]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[3]C[3,5]N[3,5]H)(CC[6a]H)(H)	126.7290	0.000	1	126.7290	0.000	1	127.1091	1.822	17	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[3]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[3]C[3]2C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[3]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[3]C[3]2C)(CC[6a]H)(H)	126.6680	0.000	1	126.6680	0.000	1	127.1091	1.822	17	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[3]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[3]C[3]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[3]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Br<1>,1|C<3>,1|H<1>}	C(C[3]C[3]2H)(CC[6a]H)(H)	128.9500	0.000	1	126.9243	0.955	9	127.1091	1.822	17	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[3]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[3]C[3]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[3]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[3]C[3]2H)(CC[6a]H)(H)	126.6711	0.657	8	126.9243	0.955	9	127.1091	1.822	17	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[3]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[3]C[3]N[3]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[3]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[3]C[3]N[3]H)(CC[6a]H)(H)	126.2235	1.395	2	126.2235	1.946	2	127.1091	1.822	17	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[3]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[3]C[3]O[3]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[3]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[3]C[3]O[3]C)(CC[6a]H)(H)	125.5870	0.000	1	125.5870	0.000	1	127.1091	1.822	17	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[4,6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[4,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[4,6]C[4,6]C[4]O[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[4,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[4,6]C[4,6]C[4]O[6])(CC[6a]H)(H)	126.5820	0.000	1	126.5820	0.000	1	126.5820	0.000	1	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[4]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[4]C[4]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[4]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[4]C[4]2H)(CC[6a]H)(H)	124.4933	0.820	3	124.4933	0.672	3	126.2197	2.286	12	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[4]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[4]C[4]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[4]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[4]C[4]2H)(CC[6a]H)(H)	126.8325	1.237	6	126.8325	1.531	6	126.2197	2.286	12	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[4]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[4]C[4]N[4]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[4]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[4]C[4]N[4]H)(CC[6a]H)(H)	126.7203	1.449	3	126.7203	2.100	3	126.2197	2.286	12	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5,5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5,5]N[5,5]C[5]O[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5,5]N[5,5]C[5]O[5])(CC[6a]H)(H)	126.9595	0.433	2	127.2633	0.371	3	127.2633	0.371	3	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5,5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5,5]N[5,5]C[5]O[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|H<1>,2|C<3>}	C(C[5,5]N[5,5]C[5]O[5])(CC[6a]H)(H)	127.8710	0.000	1	127.2633	0.371	3	127.2633	0.371	3	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCH)	C(C[5,6]N[5,6]C[5]O[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCH){2|C<3>}	C(C[5,6]N[5,6]C[5]O[6])(CC[6a]H)(H)	128.3050	0.000	1	128.3050	0.000	1	126.5093	1.911	8	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5,6]C[3x5,6]N[5,6]N[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5,6]C[3x5,6]N[5,6]N[6])(CC[6a]H)(H)	126.7570	0.000	1	126.7570	0.000	1	126.5093	1.911	8	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5,6]C[5,5,6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5,6]C[5,5,6]2H)(CC[6a]H)(H)	124.4010	0.000	1	124.4010	0.000	1	126.5093	1.911	8	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5,6]C[6,6a]C[5,5]N[5,6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5,6]C[6,6a]C[5,5]N[5,6])(CC[6a]H)(H)	128.3690	0.000	1	128.3690	0.000	1	126.5093	1.911	8	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5,6]C[6,6a]C[5,6]N[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5,6]C[6,6a]C[5,6]N[5])(CC[6a]H)(H)	126.5850	0.018	2	126.5850	0.000	2	126.5093	1.911	8	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5,6]C[6,6a]N[5,6]O[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5,6]C[6,6a]N[5,6]O[5])(CC[6a]H)(H)	125.9130	0.000	1	125.9130	0.000	1	126.5093	1.911	8	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5,6]N[5,6]C[5]O[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5,6]N[5,6]C[5]O[6])(CC[6a]H)(H)	125.1590	0.000	1	125.1590	0.000	1	126.5093	1.911	8	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:Br-1:	C(C[6a]C[6a]2)(CC[5]Br)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]O[5]H)(CC[6a]H)(Br)	C(C[6a]C[6a]2)(CC[5]Br)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(CC[6a]H)(Br)	133.6150	0.000	1	133.6150	0.000	1	133.6150	0.000	1	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:Cl-1:	C(C[6a]C[6a]2)(CC[5]Cl)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5,6]C[5]H)(CC[6a]H)(Cl)	C(C[6a]C[6a]2)(CC[5]Cl)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5,6]C[5]H)(CC[6a]H)(Cl)	128.9840	0.000	1	128.9840	0.000	1	128.9840	0.000	1	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(C[5]C[5,6]C[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5,6]C[5]H)(CC[6a]H)(H)	130.2910	0.000	1	130.2910	0.000	1	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH)	C(C[5]C[5,6a]C[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5,6a]C[5]H)(CC[6a]H)(H)	127.3300	0.000	1	127.3300	0.000	1	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH)	C(C[5]C[5]2Fe)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[5]C[5]2Fe)(CC[6a]H)(H)	126.1387	4.583	3	126.1387	21.003	3	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH)	C(C[5]C[5]2Fe)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|S<2>}	C(C[5]C[5]2Fe)(CC[6a]H)(H)	128.2435	0.712	2	128.2435	0.507	2	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[5]C[5,5]O[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[5]C[5,5]O[5]H)(CC[6a]H)(H)	125.0120	0.685	6	125.0120	0.470	6	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[5]C[5]2Fe)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|N<2>,2|H<1>}	C(C[5]C[5]2Fe)(CC[6a]H)(H)	126.0195	0.921	4	126.0195	0.849	4	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	130.2850	0.000	1	130.2850	0.000	1	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	120.7850	0.000	1	120.7022	0.109	5	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|O<2>}	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	120.6815	0.377	4	120.7022	0.109	5	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)2(CCH)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	126.0180	0.109	2	126.0180	0.012	2	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	130.0850	0.000	1	130.4980	0.341	2	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH)	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>,3|O<2>}	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	130.9110	0.000	1	130.4980	0.341	2	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(C[5]C[5]2Fe)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(CC[6a]H)(H)	125.6730	0.000	1	125.6730	0.000	1	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]B[5]N[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]B[5]N[5]H)(CC[6a]H)(H)	126.9870	0.000	1	126.9870	0.000	1	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5,5]C[5]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5,5]C[5]O)(CC[6a]H)(H)	128.6430	0.000	1	128.6430	0.000	1	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5,5]N[5]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5,5]N[5]C)(CC[6a]H)(H)	125.8230	0.000	1	125.8230	0.000	1	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5,5]N[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5,5]N[5]H)(CC[6a]H)(H)	127.2810	0.572	3	127.2810	0.327	3	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5,6]C[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5,6]C[5]H)(CC[6a]H)(H)	126.9163	0.249	3	126.9163	0.062	3	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5,6]O[5]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5,6]O[5]C)(CC[6a]H)(H)	126.9960	0.000	1	126.9960	0.000	1	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5,6]O[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5,6]O[5]H)(CC[6a]H)(H)	124.7510	0.000	1	124.7510	0.000	1	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5,6a]C[5]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(CC[6a]H)(H)	125.9570	0.000	1	125.9570	0.000	1	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5,6a]C[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(CC[6a]H)(H)	126.8295	0.599	4	126.8295	0.358	4	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5,6a]C[5]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(CC[6a]H)(H)	125.7440	0.000	1	125.7440	0.000	1	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5,6a]N[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5,6a]N[5]H)(CC[6a]H)(H)	127.7795	2.015	2	127.7795	4.058	2	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]2C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]2C)(CC[6a]H)(H)	126.0910	0.000	1	126.0910	0.000	1	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]2Fe)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]2Fe)(CC[6a]H)(H)	126.3050	0.000	1	126.6351	0.834	15	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]2Fe)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(CC[6a]H)(H)	126.9150	1.018	5	126.6351	0.834	15	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]2Fe)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|N<2>,2|H<1>}	C(C[5]C[5]2Fe)(CC[6a]H)(H)	126.4667	0.922	7	126.6351	0.834	15	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]2Fe)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){3|C<3>}	C(C[5]C[5]2Fe)(CC[6a]H)(H)	126.6900	1.317	2	126.6351	0.834	15	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]2H)(CC[6a]H)(H)	128.2187	0.879	3	128.2187	0.773	3	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]2N)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]2N)(CC[6a]H)(H)	127.2370	0.000	1	127.2370	0.000	1	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]2O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]2O)(CC[6a]H)(H)	126.9950	0.742	2	126.9950	0.551	2	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]N[5]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(CC[6a]H)(H)	127.6460	0.000	1	127.6460	0.000	1	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(CC[6a]H)(H)	126.9060	0.676	5	126.9060	0.457	5	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]O[5]C)(CC[6a]H)(H)	126.1322	0.827	5	126.1322	0.684	5	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(CC[6a]H)(H)	125.6500	0.000	1	125.6500	0.000	1	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[6a]C[5]O[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[6a]C[5]O[5])(CC[6a]H)(H)	127.6160	0.000	1	127.6160	0.000	1	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[6a]N[5]S[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[6a]N[5]S[5])(CC[6a]H)(H)	124.5970	0.000	1	124.5970	0.000	1	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]N[5,5]C[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]N[5,5]C[5]H)(CC[6a]H)(H)	128.0930	0.000	1	128.0930	0.000	1	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]N[5,5a]O[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]N[5,5a]O[5]H)(CC[6a]H)(H)	126.4990	0.000	1	126.4990	0.000	1	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]N[5,6]C[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]N[5,6]C[5]H)(CC[6a]H)(H)	126.9310	0.862	5	126.9310	0.743	5	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]O[5]P[5]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]O[5]P[5]H)(CC[6a]H)(H)	126.6945	0.006	2	126.6945	0.000	2	126.4607	4.004	92	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)(H)	128.0192	1.560	5	128.0192	2.433	5	127.6539	2.318	7	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6,6]C[6,6]C[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(CC[6a]H)(H)	127.6990	0.000	1	127.6990	0.000	1	127.6539	2.318	7	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6,6]C[6,6]O[6]2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6,6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6,6]C[6,6]O[6]2)(CC[6a]H)(H)	125.7820	0.000	1	125.7820	0.000	1	127.6539	2.318	7	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:F-1:	C(C[6a]C[6a]2)(CC[6]F)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2H)(CC[6a]H)(F)	C(C[6a]C[6a]2)(CC[6]F)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]H)(F)	128.6190	0.044	4	128.6190	0.002	4	128.6190	0.002	4	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	C(C[6]C[6]2Cr)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[6]C[6]2Cr)(CC[6a]H)(H)	126.6050	0.000	1	126.6050	0.000	1	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	C(C[6]C[6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]H)(H)	126.3160	0.000	1	126.3160	0.000	1	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	125.3470	1.547	2	125.3470	2.394	2	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(C[6]C[6,6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(C[6]C[6,6]2H)(CC[6a]H)(H)	125.4810	0.000	1	125.4810	0.000	1	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(C[6]C[6,6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(C[6]C[6,6]2H)(CC[6a]H)(H)	126.1370	0.000	1	126.1370	0.000	1	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[5,6]C[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[5,6]C[6]H)(CC[6a]H)(H)	127.4220	0.515	4	127.4220	0.266	4	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[5,6]C[6]O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[5,6]C[6]O)(CC[6a]H)(H)	126.1065	0.861	2	126.1065	0.741	2	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[5a,6]C[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[5a,6]C[6]H)(CC[6a]H)(H)	126.0025	1.269	2	126.0025	1.611	2	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[5a,6]N[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[5a,6]N[6]H)(CC[6a]H)(H)	126.0930	0.000	1	126.0930	0.000	1	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6,6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6,6]2H)(CC[6a]H)(H)	127.6293	0.620	3	127.6293	0.384	3	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6,6]O[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6,6]O[6]H)(CC[6a]H)(H)	124.8710	0.000	1	124.8710	0.000	1	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6,6a]C[5,6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6,6a]C[5,6]H)(CC[6a]H)(H)	126.7545	1.196	2	126.7545	1.430	2	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6,6a]C[5a]O[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6,6a]C[5a]O[6])(CC[6a]H)(H)	127.0420	0.000	1	127.0420	0.000	1	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	127.3744	0.235	5	127.3744	0.055	5	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2Cr)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2Cr)(CC[6a]H)(H)	126.7560	0.000	1	126.7560	0.000	1	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2Fe)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2Fe)(CC[6a]H)(H)	127.7970	0.000	1	127.7970	0.000	1	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Br<1>,1|C<3>,1|H<1>}	C(C[6]C[6]2H)(CC[6a]H)(H)	127.3420	0.000	1	126.9863	1.618	11	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(CC[6a]H)(H)	127.3390	0.000	1	126.9863	1.618	11	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]H)(H)	126.9076	1.409	9	126.9863	1.618	11	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2O)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2O)(CC[6a]H)(H)	125.3760	0.000	1	125.3760	0.000	1	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	127.0740	0.974	8	127.2177	1.017	9	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	128.3670	0.000	1	127.2177	1.017	9	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]O[6]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(CC[6a]H)(H)	127.1010	0.000	1	127.1010	0.000	1	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	126.1495	2.609	13	126.1495	6.809	13	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6a]C[6]N[6])(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6a]C[6]N[6])(CC[6a]H)(H)	127.1590	0.000	1	127.1590	0.000	1	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]N[6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]N[6]2H)(CC[6a]H)(H)	127.7335	0.056	2	127.7335	0.003	2	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]O[6]P[6]H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]O[6]P[6]H)(CC[6a]H)(H)	127.5120	0.000	1	127.5120	0.000	1	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Si)2(CCH)	C(C[6]C[6]2H)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Si)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]H)(H)	127.4730	0.457	2	127.4730	0.209	2	126.7754	2.123	70	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	Ge-4:C-3:H-1:	C(C[6a]C[6a]2)(CGeH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(GeC[6a]3)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CGeH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(GeC[6a]3)(CC[6a]H)(H)	129.4670	0.699	2	129.4670	0.488	2	129.4670	0.488	2	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:F-1:	C(C[6a]C[6a]2)(CFP)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	C(PC[6a]2B)(CC[6a]H)(F)	C(C[6a]C[6a]2)(CFP)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(PC[6a]2B)(CC[6a]H)(F)	129.5660	0.000	1	129.5660	0.000	1	129.6737	0.194	3	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:F-1:	C(C[6a]C[6a]2)(CFP)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(PC[6a]2B)(CC[6a]H)(F)	C(C[6a]C[6a]2)(CFP)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(PC[6a]2B)(CC[6a]H)(F)	130.1580	0.000	1	129.7275	0.371	2	129.6737	0.194	3	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:F-1:	C(C[6a]C[6a]2)(CFP)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(PC[6a]2B)(CC[6a]H)(F)	C(C[6a]C[6a]2)(CFP)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Cl<1>,1|C<3>,1|H<1>}	C(PC[6a]2B)(CC[6a]H)(F)	129.2970	0.000	1	129.7275	0.371	2	129.6737	0.194	3	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(CHP)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(PC[6a]CO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CHP)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(PC[6a]CO)(CC[6a]H)(H)	125.9780	1.167	2	125.9780	1.361	2	127.1960	5.131	3	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(CHP)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(PC[6a]2S)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CHP)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(PC[6a]2S)(CC[6a]H)(H)	129.6320	0.000	1	129.6320	0.000	1	127.1960	5.131	3	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CCH)	C(SC[6a]OO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CCH){2|C<3>}	C(SC[6a]OO)(CC[6a]H)(H)	127.6050	1.579	6	127.6050	2.493	6	127.7573	2.140	12	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]Cl)2(CCH)	C(SC[6a]OO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]Cl)2(CCH){1|C<3>,2|H<1>}	C(SC[6a]OO)(CC[6a]H)(H)	127.6600	0.000	1	127.6600	0.000	1	127.7573	2.140	12	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(SC[6a]OO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(SC[6a]OO)(CC[6a]H)(H)	127.9596	1.637	5	127.9596	2.681	5	127.7573	2.140	12	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	Si-4:C-3:H-1:	C(C[6a]C[6a]2)(CSiH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(SiC[6a]3)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CSiH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(SiC[6a]3)(CC[6a]H)(H)	131.1590	0.000	1	131.1590	0.000	1	130.4605	0.976	2	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	Si-4:C-3:H-1:	C(C[6a]C[6a]2)(CSiH)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(SiC[6a]CC)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CSiH)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(SiC[6a]CC)(CC[6a]H)(H)	129.7620	0.000	1	129.7620	0.000	1	130.4605	0.976	2	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	Si[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CSi[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(Si[5]C[5]2C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CSi[5]H)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(Si[5]C[5]2C)(CC[6a]H)(H)	127.1210	0.000	1	127.1210	0.000	1	127.1210	0.000	1	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(I)	C[6a](C[6a]C[6a]H)2(CCI)	C(CC[6a]N[6]H)(CC[6a]I)(H)	C(C[6a]C[6a]2)(CCH)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	C(CC[6a]N[6]H)(CC[6a]I)(H)	127.9480	0.000	1	127.9480	0.000	1	127.9480	0.000	1	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(I)	C[6a](C[6a]C[6a]H)2(CCI)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]I)(H)	C(C[6a]C[6a]2)(CC[5]H)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]I)(H)	128.1300	0.000	1	128.1300	0.000	1	128.1300	0.000	1	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(CHS)(I)	C[6a](C[6a]C[6a]H)2(CCI)	C(SC[6a]OO)(CC[6a]I)(H)	C(C[6a]C[6a]2)(CHS)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	C(SC[6a]OO)(CC[6a]I)(H)	125.9330	6.831	2	125.9330	46.658	2	125.9330	46.658	2	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:O-1:	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]HH)(CC[6a]O)(O)	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]HH)(CC[6a]O)(O)	119.6310	0.000	1	119.6310	0.000	1	119.6310	0.000	1	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:O-1:	C(C[6a]C[6a]2)(CC[3]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[3]C[6a]C[3]O[3])(CC[6a]O)(O)	C(C[6a]C[6a]2)(CC[3]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[3]C[6a]C[3]O[3])(CC[6a]O)(O)	122.2640	0.000	1	122.2640	0.000	1	122.2640	0.000	1	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:O-1:	C(C[6a]C[6a]2)(CC[5]O)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]C[5]2Fe)(CC[6a]O)(O)	C(C[6a]C[6a]2)(CC[5]O)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(CC[6a]O)(O)	119.9790	0.396	2	119.9790	0.157	2	119.9790	0.157	2	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(CHP)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO)	C(PC[6a]3)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO){2|C<3>}	C(PC[6a]3)(CC[6a]O)(H)	116.4560	0.000	1	116.4560	0.000	1	120.1657	10.073	7	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(CHP)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCO)	C(PC[6a]3)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(CCO){2|C<3>}	C(PC[6a]3)(CC[6a]O)(H)	126.7480	0.000	1	126.7480	0.000	1	120.1657	10.073	7	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(CHP)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(PC[6a]3)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(PC[6a]3)(CC[6a]O)(H)	119.5912	0.652	5	119.5912	0.425	5	120.1657	10.073	7	126.7820	5.273	423	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5]HH)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[5]HH)(CC[6a]H)(CN)	132.5915	1.022	4	132.5915	1.045	4	132.5228	0.807	5	125.7979	30.104	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]HH)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]HH)(CC[6a]H)(CN)	132.2480	0.000	1	132.2480	0.000	1	132.5228	0.807	5	125.7979	30.104	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:N-2:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]HO)(CC[6a]H)(NN)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]HO)(CC[6a]H)(NN)	127.1510	0.000	1	127.1510	0.000	1	127.1510	0.000	1	125.7979	30.104	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:O-2:	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[5]HH)(CC[6a]H)(ONi)	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[5]HH)(CC[6a]H)(ONi)	124.0900	0.000	1	124.0900	0.000	1	126.5455	12.059	2	125.7979	30.104	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:O-2:	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]HH)(CC[6a]H)(OCa)	C(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]HH)(CC[6a]H)(OCa)	129.0010	0.000	1	129.0010	0.000	1	126.5455	12.059	2	125.7979	30.104	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:O-2:	C(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[3]C[3,5]2H)(CC[6a]H)(OC)	C(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[3]C[3,5]2H)(CC[6a]H)(OC)	130.3120	0.000	1	130.3120	0.000	1	129.9975	0.198	2	125.7979	30.104	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:O-2:	C(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[3]C[3]2H)(CC[6a]H)(OC)	C(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[3]C[3]2H)(CC[6a]H)(OC)	129.6830	0.000	1	129.6830	0.000	1	129.9975	0.198	2	125.7979	30.104	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:S-2:	C(C[6a]C[6a]2)(CC[3]S)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCH)	C(C[3]C[3]2H)(CC[6a]H)(SC[5a])	C(C[6a]C[6a]2)(CC[3]S)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CCH){1|N<2>,2|C<3>,2|H<1>}	C(C[3]C[3]2H)(CC[6a]H)(SC[5a])	129.6140	0.000	1	129.6140	0.000	1	129.6140	0.000	1	125.7979	30.104	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-2:	C(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]2Fe)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(CC[6a]H)(CC)	130.9660	0.000	1	130.9660	0.000	1	130.9660	0.000	1	125.7979	30.104	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:O-2:	C(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]N[6]O[6]H)(CC[6a]H)(OC)	C(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|O<2>}	C(C[6]N[6]O[6]H)(CC[6a]H)(OC)	130.6710	0.000	1	130.6710	0.000	1	130.6710	0.000	1	125.7979	30.104	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	Si-4:C-3:C-2:	C(C[6a]C[6a]2)(CSiC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(SiC[6a]3)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CSiC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(SiC[6a]3)(CC[6a]H)(CC)	131.5390	0.000	1	131.5390	0.000	1	131.5390	0.000	1	125.7979	30.104	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]2C)(CC[6a]O)(CC)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]2C)(CC[6a]O)(CC)	119.7670	0.000	1	119.7670	0.000	1	119.9973	0.641	3	125.7979	30.104	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]HP)(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]HP)(CC[6a]O)(CN)	120.1125	1.097	2	120.1125	1.203	2	119.9973	0.641	3	125.7979	30.104	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:O-2:	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CN[5a]HH)(CC[6a]O)(OC)	C(C[6a]C[6a]2)(CCO)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|Cl<1>,1|C<3>,1|H<1>}	C(CN[5a]HH)(CC[6a]O)(OC)	119.5070	0.000	1	119.5070	0.000	1	119.5070	0.000	1	125.7979	30.104	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-2:	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]C[5,6a]2C)(CC[6a]O)(CC[5])	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5,6a]2C)(CC[6a]O)(CC[5])	118.6600	0.000	1	119.2690	0.742	2	119.2690	0.742	2	125.7979	30.104	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-2:	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]C[5,6a]2C)(CC[6a]O)(CC[5])	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]C[5,6a]2C)(CC[6a]O)(CC[5])	119.8780	0.000	1	119.2690	0.742	2	119.2690	0.742	2	125.7979	30.104	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:N-2:	C(C[6a]C[6a]2)(CNS)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(SC[6a]OO)(CC[6a]O)(NN)	C(C[6a]C[6a]2)(CNS)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(SC[6a]OO)(CC[6a]O)(NN)	121.1778	1.946	6	121.1778	3.786	6	121.1778	3.786	6	125.7979	30.104	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	S-4:C-3:C-3:	C(C[6a]C[5a,6a]C[6a])(CCS)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH)	C(SC[6a]OO)(CC[6a]H)(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(CCS)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH){1|O<2>,2|C<3>,2|H<1>}	C(SC[6a]OO)(CC[6a]H)(CC[6a]O)	128.3520	0.000	1	128.3520	0.000	1	128.3520	0.000	1	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(CCH)	C(CN[5a]CH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(CCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C(CN[5a]CH)(CC[6a]H)(COO)	127.7320	0.000	1	127.7320	0.000	1	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH)	C(CC[5a]HH)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	C(CC[5a]HH)(CC[6a]H)(CCO)	128.0710	1.676	2	128.0710	2.808	2	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH)	C(CN[5a]CH)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C(CN[5a]CH)(CC[6a]H)(CC[6a]O)	130.7170	0.000	1	130.7170	0.000	1	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH)	C(CN[5a]CH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(CN[5a]CH)(CC[6a]H)(COO)	128.6030	0.000	1	128.6420	0.105	3	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH)	C(CN[5a]CH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C(CN[5a]CH)(CC[6a]H)(COO)	128.6615	0.456	2	128.6420	0.105	3	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCH)	C(CC[6a]HH)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CCH){1|H<1>,2|C<3>}	C(CC[6a]HH)(CC[6a]H)(CCO)	125.6110	0.000	1	125.6110	0.000	1	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCH)	C(CC[6]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(CC[6]HH)(CC[6a]H)(COO)	122.4870	0.000	1	122.4870	0.000	1	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	C(CC[6a]CH)(CC[6a]H)(CCC)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){2|H<1>,3|C<3>}	C(CC[6a]CH)(CC[6a]H)(CCC)	129.5025	0.443	2	129.5025	0.197	2	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH)	C(CC[6a]CH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCH){1|H<1>,1|O<2>,3|C<3>}	C(CC[6a]CH)(CC[6a]H)(COO)	126.6880	0.000	1	126.6880	0.000	1	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	C(CC[5a]HH)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[5a]HH)(CC[6a]H)(CCO)	127.2065	0.697	2	127.2065	0.485	2	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CC[6a]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[6a]HH)(CC[6a]H)(COO)	128.1180	0.216	2	128.1180	0.047	2	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(CN[5]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CN[5]HH)(CC[6a]H)(COO)	127.1150	0.000	1	127.1150	0.000	1	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH)	C(CC[5]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(CC[5]HH)(CC[6a]H)(COO)	128.3710	0.000	1	128.3710	0.000	1	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[5]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[5]HH)(CC[6a]H)(COO)	124.4220	0.000	1	124.4220	0.000	1	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6]HH)(CC[6a]H)(COO)	121.2030	0.000	1	121.8770	0.909	2	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(CC[6]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(CC[6]HH)(CC[6a]H)(COO)	122.5510	0.000	1	121.8770	0.909	2	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[5]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[5]HH)(CC[6a]H)(COO)	130.8897	1.811	3	130.8897	3.280	3	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH)	C(CC[6]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCH){1|C<3>,2|H<1>}	C(CC[6]HH)(CC[6a]H)(COO)	128.2140	0.778	2	128.2140	0.605	2	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[5]HH)(CC[6a]H)(COO)	128.4976	1.411	5	128.4976	1.991	5	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5a]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[5a]HH)(CC[6a]H)(COO)	130.6740	0.000	1	130.6740	0.000	1	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CC[6]HH)(CC[6a]H)(COO)	128.2672	1.261	4	128.2672	1.590	4	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]2H)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]2H)(CC[6a]H)(CC[6a]O)	129.2270	0.000	1	129.2270	0.000	1	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]CH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(CC[6a]H)(COO)	128.1460	0.000	1	128.1460	0.000	1	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]HH)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]HH)(CC[6a]H)(CCO)	130.1375	0.543	4	130.1375	0.295	4	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6a]HN)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6a]HN)(CC[6a]H)(CCO)	124.8020	0.000	1	124.8020	0.000	1	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CN[5]HH)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CN[5]HH)(CC[6a]H)(CCO)	129.7765	0.688	2	129.7765	0.473	2	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CN[5]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|O<2>}	C(CN[5]HH)(CC[6a]H)(COO)	130.5550	0.000	1	129.5763	1.774	4	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CN[5]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CN[5]HH)(CC[6a]H)(COO)	129.2500	1.422	3	129.5763	1.774	4	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CN[5a]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CN[5a]HH)(CC[6a]H)(COO)	130.6055	2.058	2	130.6055	4.237	2	128.3479	5.280	51	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:N-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5a]C[6a]H)(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[5a]C[6a]H)(CC[6a]H)(NCH)	127.2320	0.000	1	127.2320	0.000	1	129.2780	3.389	3	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:N-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6]HP)(CC[6a]H)(NMnH)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6]HP)(CC[6a]H)(NMnH)	130.8000	0.000	1	130.8000	0.000	1	129.2780	3.389	3	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:N-3:	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[6]HP)(CC[6a]H)(NReH)	C(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[6]HP)(CC[6a]H)(NReH)	129.8020	0.000	1	129.8020	0.000	1	129.2780	3.389	3	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-3:	C(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]2H)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]2H)(CC[6a]H)(CCO)	127.3500	0.000	1	127.3500	0.000	1	127.7203	0.995	3	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-3:	C(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5]N[5]H)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(CC[6a]H)(COO)	127.9055	1.336	2	127.9055	1.784	2	127.7203	0.995	3	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]H)	131.4797	2.125	4	131.4797	4.517	4	131.4797	4.517	4	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:C-3:	C(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2O)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2O)(CC[6a]H)(CCO)	128.2495	2.010	2	128.2495	4.041	2	128.2495	4.041	2	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C[6])(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6,6a]C[6]O[6])(C[6a]C[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]C[6])(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]O[6])(C[6a]C[6a]2)(CC[6a]H)	130.4320	0.000	1	130.4320	0.000	1	130.4320	0.000	1	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	P[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(CC[6]P[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(P[6]O[6]2O)(C[6]C[6]2)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6]P[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(P[6]O[6]2O)(C[6]C[6]2)(CC[6a]H)	133.3080	0.000	1	133.3080	0.000	1	133.3080	0.000	1	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:C-3:	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(SC[6a]OO)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C(SC[6a]OO)(CC[6a]H)(CCO)	128.6480	0.000	1	128.6480	0.000	1	129.6773	0.855	3	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:C-3:	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(SC[6a]OO)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(SC[6a]OO)(CC[6a]H)(CC[6a]O)	130.1920	0.346	2	130.1920	0.120	2	129.6773	0.855	3	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:C-3:	C(C[6a]C[6a]2)(CC[6]C)(I)	C[6a](C[6a]C[6a]H)2(CCI)	C(C[6]C[6]2H)(CC[6a]C)(CC[6a]I)	C(C[6a]C[6a]2)(CC[6]C)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]C)(CC[6a]I)	126.3090	0.000	1	126.3090	0.000	1	126.3090	0.000	1	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:C-3:	C(C[6a]C[6a]2)(CCS)(I)	C[6a](C[6a]C[6a]H)2(CCI)	C(SC[6a]OO)(CC[6a]I)(CC[6a]O)	C(C[6a]C[6a]2)(CCS)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	C(SC[6a]OO)(CC[6a]I)(CC[6a]O)	128.4150	0.000	1	128.4150	0.000	1	128.4150	0.000	1	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(CN[5a]CH)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CN[5a]CH)(CC[6a]H)(CC[6a]O)	118.9710	0.000	1	118.9710	0.000	1	121.3796	4.081	14	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]C)2(CCO)	C(CC[6a]HH)(CC[6a]O)(CC[3]H)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]HH)(CC[6a]O)(CC[3]H)	118.4530	0.000	1	118.4530	0.000	1	121.3796	4.081	14	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]2H)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]2H)(CC[6a]H)(CC[6a]O)	121.4980	0.000	1	121.4980	0.000	1	121.3796	4.081	14	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]2H)(CC[6a]O)(CHH)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]2H)(CC[6a]O)(CHH)	120.5580	0.368	2	120.5580	0.135	2	121.3796	4.081	14	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]CH)(CC[6a]O)(CHN)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]CH)(CC[6a]O)(CHN)	120.0590	0.000	1	120.0590	0.000	1	121.3796	4.081	14	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]CH)(CC[6a]O)(CSS)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]CH)(CC[6a]O)(CSS)	118.7630	0.000	1	118.7630	0.000	1	121.3796	4.081	14	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]HN)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]HN)(CC[6a]O)(CCH)	121.3070	0.000	1	121.3070	0.000	1	121.3796	4.081	14	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]HP)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]HP)(CC[6a]O)(COO)	121.9870	0.000	1	123.7602	1.664	4	121.3796	4.081	14	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]HP)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|N<2>,2|H<1>}	C(CC[6a]HP)(CC[6a]O)(COO)	124.3513	0.632	3	123.7602	1.664	4	121.3796	4.081	14	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]HP)(CC[6a]O)2	C(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]HP)(CC[6a]O)2	122.0535	0.136	2	122.0535	0.019	2	121.3796	4.081	14	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:N-3:	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]HP)(CC[6a]O)(NOO)	C(C[6a]C[6a]2)(CCN)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]HP)(CC[6a]O)(NOO)	123.4330	0.000	1	123.4330	0.000	1	123.4330	0.000	1	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-3:	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(CHN)	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(CHN)	120.0740	0.528	2	120.0740	0.278	2	119.7486	1.910	5	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-3:	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]C[5]2C)(CC[6a]O)(CHH)	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]C[5]2C)(CC[6a]O)(CHH)	121.6930	0.000	1	121.6930	0.000	1	119.7486	1.910	5	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-3:	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]N[5]O[5]H)(CC[6a]O)2	C(C[6a]C[6a]2)(CC[5]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]N[5]O[5]H)(CC[6a]O)2	118.4510	0.037	2	118.4510	0.001	2	119.7486	1.910	5	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:C-3:	C(C[6a]C[6a]2)(CC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6]C[6]2H)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6]C)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]O)(CCH)	121.8870	1.595	2	121.8870	2.545	2	121.8870	2.545	2	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:C-3:	C(C[6a]C[6a]2)(CCP)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(PC[6a]3)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCP)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(PC[6a]3)(CC[6a]O)(CCO)	120.3355	0.091	2	120.3355	0.008	2	120.5117	0.097	3	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:C-3:	C(C[6a]C[6a]2)(CCP)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(PC[6a]3)(CC[6a]O)(CC[5]O)	C(C[6a]C[6a]2)(CCP)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(PC[6a]3)(CC[6a]O)(CC[5]O)	120.8640	0.000	1	120.8640	0.000	1	120.5117	0.097	3	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:C-3:	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(SC[6a]OO)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(SC[6a]OO)(CC[6a]H)(CC[6a]O)	119.3270	0.000	1	119.3270	0.000	1	118.6430	0.367	4	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:C-3:	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(SC[6a]OO)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(SC[6a]OO)(CC[6a]H)(CC[6a]O)	118.6175	0.482	2	118.6175	0.232	2	118.6430	0.367	4	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:C-3:	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)2(CCO)	C(SC[6a]OO)(CC[6a]I)(CC[6a]O)	C(C[6a]C[6a]2)(CCS)(O)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(SC[6a]OO)(CC[6a]I)(CC[6a]O)	118.0100	0.000	1	118.0100	0.000	1	118.6430	0.367	4	126.3637	17.803	100	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	B-4:C-3:Si-4:	C(C[6a]C[6a]2)(CSiB)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(BC[5]HH)(CC[6a]H)(SiC3)	C(C[6a]C[6a]2)(CSiB)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(BC[5]HH)(CC[6a]H)(SiC3)	129.9520	0.000	1	129.9520	0.000	1	129.9520	0.000	1	128.9002	4.944	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5]HH)(CC[6a]H)(CHHO)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[5]HH)(CC[6a]H)(CHHO)	131.4240	3.161	2	131.4240	9.990	2	130.9663	5.624	3	128.9002	4.944	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(CC[5]HN)(CC[6a]H)(CH3)	C(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(CC[5]HN)(CC[6a]H)(CH3)	130.0510	0.000	1	130.0510	0.000	1	130.9663	5.624	3	128.9002	4.944	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C-3:C-4:	C(C[6a]C[6a]2)(CC[4]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[4]C[4]N[4]H)(CC[6a]H)(CH3)	C(C[6a]C[6a]2)(CC[4]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[4]C[4]N[4]H)(CC[6a]H)(CH3)	129.5950	0.000	1	129.5950	0.000	1	129.5950	0.000	1	128.9002	4.944	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-4:	C(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH)	C(C[5]C[5]2H)(CC[6a]H)(CH3)	C(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]2H)(CC[6a]H)(CH3)	127.6230	0.000	1	127.6230	0.000	1	128.1620	0.233	4	128.9002	4.944	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-4:	C(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5,5]C[5]O)(CC[6a]H)(CCHH)	C(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5,5]C[5]O)(CC[6a]H)(CCHH)	128.6700	0.000	1	128.6700	0.000	1	128.1620	0.233	4	128.9002	4.944	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-4:	C(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[5,6]C[5]H)(CC[6a]H)(CH3)	C(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[5,6]C[5]H)(CC[6a]H)(CH3)	127.9040	0.000	1	127.9040	0.000	1	128.1620	0.233	4	128.9002	4.944	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-4:	C(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5]C[6a]C[5]N[5])(CC[6a]H)(CH3)	C(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5]C[6a]C[5]N[5])(CC[6a]H)(CH3)	128.4510	0.000	1	128.4510	0.000	1	128.1620	0.233	4	128.9002	4.944	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:C-4:	C(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2H)(CC[6a]H)(CH3)	C(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]H)(CH3)	129.6930	0.000	1	129.6930	0.000	1	129.6930	0.000	1	128.9002	4.944	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	Ga[4]-4:C-3:Si-4:	C(C[6a]C[6a]2)(CGa[4]Si)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH)	C(Ga[4]Cl[4]2Cl)(CC[6a]H)(SiC3)	C(C[6a]C[6a]2)(CGa[4]Si)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCH){1|C<3>,2|H<1>}	C(Ga[4]Cl[4]2Cl)(CC[6a]H)(SiC3)	125.0935	0.499	2	125.0935	0.249	2	127.8920	3.613	14	128.9002	4.944	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	Ga[4]-4:C-3:Si-4:	C(C[6a]C[6a]2)(CGa[4]Si)(H)	C[6a](C[6a]C[6a]Br)2(CCH)	C(Ga[4]Cl[4]2Cl)(CC[6a]H)(SiC3)	C(C[6a]C[6a]2)(CGa[4]Si)(H)	C[6a](C[6a]C[6a]Br)2(CCH){1|C<3>,2|H<1>}	C(Ga[4]Cl[4]2Cl)(CC[6a]H)(SiC3)	127.4337	1.619	3	127.4337	2.621	3	127.8920	3.613	14	128.9002	4.944	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	Ga[4]-4:C-3:Si-4:	C(C[6a]C[6a]2)(CGa[4]Si)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(Ga[4]Cl[4]2Cl)(CC[6a]H)(SiC3)	C(C[6a]C[6a]2)(CGa[4]Si)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(Ga[4]Cl[4]2Cl)(CC[6a]H)(SiC3)	128.4800	1.014	5	128.6667	2.473	9	127.8920	3.613	14	128.9002	4.944	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	Ga[4]-4:C-3:Si-4:	C(C[6a]C[6a]2)(CGa[4]Si)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(Ga[4]Cl[4]2Cl)(CC[6a]H)(SiC3)	C(C[6a]C[6a]2)(CGa[4]Si)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|H<1>,2|C<3>}	C(Ga[4]Cl[4]2Cl)(CC[6a]H)(SiC3)	128.9000	2.257	4	128.6667	2.473	9	127.8920	3.613	14	128.9002	4.944	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:C-4:	C(C[6a]C[6a]2)(CCP)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH)	C(PC[6a]2O)(CC[6a]H)(CHHO)	C(C[6a]C[6a]2)(CCP)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCH){1|C<3>,1|H<1>}	C(PC[6a]2O)(CC[6a]H)(CHHO)	131.9070	0.000	1	131.9070	0.000	1	131.3726	4.734	5	128.9002	4.944	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:C-4:	C(C[6a]C[6a]2)(CCP)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(PC[6]HO)(CC[6a]H)(CC3)	C(C[6a]C[6a]2)(CCP)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(PC[6]HO)(CC[6a]H)(CC3)	128.3340	0.000	1	128.3340	0.000	1	131.3726	4.734	5	128.9002	4.944	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:C-4:	C(C[6a]C[6a]2)(CCP)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(PC[6]OP)(CC[6a]H)(CC3)	C(C[6a]C[6a]2)(CCP)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(PC[6]OP)(CC[6a]H)(CC3)	132.2073	1.914	3	132.2073	3.663	3	131.3726	4.734	5	128.9002	4.944	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:Si-4:	C(C[6a]C[6a]2)(CSiP)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(PC[6a]OO)(CC[6a]H)(SiC3)	C(C[6a]C[6a]2)(CSiP)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(PC[6a]OO)(CC[6a]H)(SiC3)	126.4750	0.000	1	126.4750	0.000	1	126.4750	0.000	1	128.9002	4.944	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:3:4:	C[6a]-3:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:S-4:	C(C[6a]C[6a]2)(CCS)(I)	C[6a](C[6a]C[6a]H)2(CCI)	C(CC[6a]HO)(CC[6a]I)(SCOO)	C(C[6a]C[6a]2)(CCS)(I)	C[6a](C[6a]C[6a]H)2(CCI){1|C<3>,2|H<1>}	C(CC[6a]HO)(CC[6a]I)(SCOO)	127.2940	0.000	1	127.2940	0.000	1	127.2940	0.000	1	128.9002	4.944	31	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-4:C-3:	C(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[6]C[6]2H)(CC[6a]HH)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]HH)(CC[6a]H)	132.2480	0.000	1	132.2480	0.000	1	132.2480	0.000	1	133.7355	4.167	4	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:P-4:C-3:	C(C[6a]C[6a]2)(CC[6]P)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH)	C(C[6]C[6]2O)(PC[6a]2O)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6]P)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2O)(PC[6a]2O)(CC[6a]H)	134.1500	0.000	1	134.1500	0.000	1	134.1500	0.000	1	133.7355	4.167	4	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	P-4:P-4:C-3:	C(C[6a]C[6a]2)(CPP)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(PC[6a]2N)2(CC[6a]H)	C(C[6a]C[6a]2)(CPP)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(PC[6a]2N)2(CC[6a]H)	132.0880	0.000	1	132.0880	0.000	1	132.0880	0.000	1	133.7355	4.167	4	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	S-4:S-4:C-3:	C(C[6a]C[6a]2)(CSS)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(SC[6a]OO)2(CC[6a]H)	C(C[6a]C[6a]2)(CSS)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(SC[6a]OO)2(CC[6a]H)	136.4560	0.000	1	136.4560	0.000	1	136.4560	0.000	1	133.7355	4.167	4	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	5:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	P-5:C-3:H-1:	C(C[6a]C[6a]2)(CHP)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(PC[5]C[6]Fe2)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CHP)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(PC[5]C[6]Fe2)(CC[6a]H)(H)	126.6990	0.000	1	126.6990	0.000	1	126.6990	0.000	1	126.6990	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	6:3:1:	C-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[5x3,5x5,20x6]-6:C-3:H-1:	C(CC[5x3,5x5,20x6]H)(C[6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(H)	C(CC[5x3,5x5,20x6]H)(C[6a]C[6a,6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCH){2|H<1>,5|C<3>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(H)	125.9555	0.170	2	125.9555	0.029	2	125.9555	0.029	2	128.1803	7.323	4	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	6:3:1:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	B[5x3,5x5,20x6]-6:C-3:H-1:	C(CB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(H)	C(CB[5x3,5x5,20x6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(H)	129.3700	0.000	1	129.3700	0.000	1	129.3700	0.000	1	128.1803	7.323	4	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	6:3:1:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	S-6:C-3:H-1:	C(C[6a]C[6a]2)(CHS)(Cl)	C[6a](C[6a]C[6a]H)2(CClC)	C(SC[6a]F4)(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CHS)(Cl)	C[6a](C[6a]C[6a]H)2(CClC){1|C<3>,2|H<1>}	C(SC[6a]F4)(CC[6a]Cl)(H)	131.4400	0.000	1	131.4400	0.000	1	131.4400	0.000	1	128.1803	7.323	4	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	6:3:3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	B[5x3,5x5,20x6]-6:C[6a]-3:C-3:	C(CB[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]2)(CC[6a]H)	C(CB[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]2)(CC[6a]H)	130.4810	0.000	1	130.4810	0.000	1	131.4210	0.656	4	129.9027	2.102	10	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	6:3:3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	B[5x3,5x5,20x6]-6:C[6a]-3:C-3:	C(CB[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(CC[6a]H)	C(CB[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(CC[6a]H)	131.7343	0.629	3	131.7343	0.395	3	131.4210	0.656	4	129.9027	2.102	10	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	6:3:3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5x3,5x5,20x6]-6:C-3:C-3:	C(CC[5x3,5x5,20x6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(COO)	C(CC[5x3,5x5,20x6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(COO)	128.3590	0.000	1	128.3590	0.000	1	128.8905	0.316	6	129.9027	2.102	10	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:1:	3:3:3:	6:3:3:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5x3,5x5,20x6]-6:C-3:C-3:	C(CC[5x3,5x5,20x6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(COO)	C(CC[5x3,5x5,20x6]C)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CCH){1|C<3>,2|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(COO)	128.9968	0.557	5	128.9968	0.310	5	128.8905	0.316	6	129.9027	2.102	10	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:2:3:	3:2:1:	C[6a]-3:C-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]N[6a])(COO)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(CC[6a]N)(OC)(O)	C(C[6a]C[6a]N[6a])(COO)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(OC)(O)	119.6139	0.938	11	119.6139	0.881	11	119.6139	0.881	11	119.9086	1.843	12	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:2:3:	3:2:1:	C[6a]-3:C-3:S-2:	C[6a]-3:N[6a]-2:C-3:	C-3:S-2:H-1:	C(C[6a]C[6a]N[6a])(CHS)(SNi)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCS)	C(CC[6a]S)(SNi)(H)	C(C[6a]C[6a]N[6a])(CHS)(SNi)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(CCS){1|C<3>,1|H<1>}	C(CC[6a]S)(SNi)(H)	123.1500	0.000	1	123.1500	0.000	1	123.1500	0.000	1	119.9086	1.843	12	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(CHN)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(CC[6a]C)(NCH)(H)	C(C[6a]C[6a]N[6a])(CHN)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NCH)(H)	125.8080	0.000	1	125.8080	0.000	1	125.8850	0.012	2	122.7772	3.687	13	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(CHN)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(CC[6a]C)(NC[6]H)(H)	C(C[6a]C[6a]N[6a])(CHN)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6]H)(H)	125.9620	0.000	1	125.9620	0.000	1	125.8850	0.012	2	122.7772	3.687	13	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	121.6734	0.696	5	121.6734	0.485	5	121.6734	0.485	5	122.7772	3.687	13	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]N[6a])(CNO)(NO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(CC[6a]N)(NHN)(O)	C(C[6a]C[6a]N[6a])(CNO)(NO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NHN)(O)	124.6170	0.000	1	124.6170	0.000	1	124.6170	0.000	1	122.7772	3.687	13	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CCH)(OFe)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]N[6a])(CCH)(OFe)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	119.5840	0.000	1	119.5840	0.000	1	121.7795	2.469	4	122.7772	3.687	13	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CCH)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(CC[5a]O)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(CCH)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	C(CC[5a]O)(CC[6a]O)(H)	122.6260	0.000	1	122.6260	0.000	1	121.7795	2.469	4	122.7772	3.687	13	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CCH)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(CC[6a]O)(CC[5]O)(H)	C(C[6a]C[6a]N[6a])(CCH)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CC[5]O)(H)	123.1470	0.000	1	123.1470	0.000	1	121.7795	2.469	4	122.7772	3.687	13	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CCH)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]N[6a])(CCH)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|H<1>,2|C<3>}	C(CC[6a]O)2(H)	121.7610	0.000	1	121.7610	0.000	1	121.7795	2.469	4	122.7772	3.687	13	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(OC)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(CCO){3|C<3>}	C(C[6a]C[6a]2)(CC[6a]O)(H)	124.2310	0.000	1	124.2310	0.000	1	124.2310	0.000	1	122.7772	3.687	13	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:2:3:	3:3:2:	C[6a]-3:C-3:S-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]N[6a])(CC[6a]S)(SCo)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCS)	C(C[6a]C[6a]N[6a])(CC[6a]S)(SCo)	C(C[6a]C[6a]N[6a])(CC[6a]S)(SCo)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]S)(SCo)	126.4415	0.723	2	126.4415	0.523	2	126.4415	0.523	2	126.4415	0.523	2	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:2:3:	3:3:3:	C[6a]-3:C-3:C-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]N[6a])(CC[6a]N)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	C(C[6a]C[6a]N[6a])(CC[6a]N)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	125.4265	0.080	2	125.4265	0.006	2	125.4265	0.006	2	124.7943	1.202	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:2:3:	3:3:3:	C[6a]-3:C-3:Se-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:Se-3:	C(C[6a]C[6a]N[6a])(CC[6a]Se)(SeCo)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeC)	C(C[6a]C[6a]N[6a])(CC[6a]Se)(SeCo2)	C(C[6a]C[6a]N[6a])(CC[6a]Se)(SeCo)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]Se)(SeCo2)	123.5300	0.000	1	123.5300	0.000	1	123.5300	0.000	1	124.7943	1.202	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:2:3:	3:3:4:	C[6a]-3:C-3:O-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]N[6a])(CC[6a]C)(OS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]N[6a])(CC[6a]C)(OS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	128.4500	0.000	1	128.4500	0.000	1	128.4500	0.000	1	128.4500	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:2:3:	3:4:1:	C[6a]-3:C-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:O-1:	C(C[6a]C[6a]N[6a])(CCO)(NN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCN)	C(CC[6a]N)(CCHH)(O)	C(C[6a]C[6a]N[6a])(CCO)(NN)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCHH)(O)	119.4730	0.000	1	119.4730	0.000	1	119.4730	0.000	1	119.4730	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:2:3:	4:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:N[6a]-2:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[5]H)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(C[5]C[5]2Fe)(CC[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[5]H)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(CC[6a]C)(H)	122.5500	0.000	1	122.5500	0.000	1	122.5500	0.000	1	122.5500	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:2:3:	4:3:3:	C[6a]-3:C-3:C-2:	C[6a]-3:N[6a]-2:C-3:	C-4:C-3:N-3:	C(C[6a]C[6a]N[6a])(CCN)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(CC[6a]HH)(CC[6a]C)(NHH)	C(C[6a]C[6a]N[6a])(CCN)(CN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	C(CC[6a]HH)(CC[6a]C)(NHH)	125.9260	0.000	1	125.9260	0.000	1	125.9260	0.000	1	125.9260	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:Br-1:Br-1:	C(C[6a]C[6a]2)(CBr2)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(Br)2	C(C[6a]C[6a]2)(CBr2)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(Br)2	124.1325	1.346	2	124.1325	1.811	2	124.1325	1.811	2	123.1247	2.288	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHH)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	123.9880	0.000	1	123.9880	0.000	1	123.9880	0.000	1	123.1247	2.288	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:O-1:	C(C[6a]C[6a]2)(CHO)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]2)(CHO)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)(O)	125.9610	0.000	1	125.9610	0.000	1	125.9610	0.000	1	123.1247	2.288	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:Cl-1:Cl-1:	C(C[6a]C[6a]2)(CCl2)(NN)	C[6a](C[6a]C[6a]F)2(CCN)	C(CC[6a]N)(Cl)2	C(C[6a]C[6a]2)(CCl2)(NN)	C[6a](C[6a]C[6a]F)2(CCN){1|C<3>,2|F<1>}	C(CC[6a]N)(Cl)2	121.5120	0.505	2	121.5120	0.255	2	122.7488	0.957	13	123.1247	2.288	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:Cl-1:Cl-1:	C(C[6a]C[6a]2)(CCl2)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(Cl)2	C(C[6a]C[6a]2)(CCl2)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(Cl)2	122.9737	0.872	11	122.9737	0.761	11	122.7488	0.957	13	123.1247	2.288	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(CC[6a]N)(H)2	C(C[6a]C[6a]2)(CHH)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]N)(H)2	120.4360	0.000	1	120.4360	0.000	1	120.4360	0.000	1	123.1247	2.288	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:F-1:F-1:	C(C[6a]C[6a]2)(CFF)(OTi)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(F)2	C(C[6a]C[6a]2)(CFF)(OTi)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(F)2	125.0700	0.000	1	125.0700	0.000	1	125.0700	0.000	1	123.1247	2.288	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:F-1:H-1:	C(C[6a]C[6a]2)(CFH)(OS)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(F)(H)	C(C[6a]C[6a]2)(CFH)(OS)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(F)(H)	125.2260	0.000	1	125.2260	0.000	1	125.2260	0.000	1	123.1247	2.288	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(OAl)	C[6a](C[6a]C[6a]C)2(CCO)	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CHH)(OAl)	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(H)2	122.3010	0.000	1	122.3010	0.000	1	122.7603	3.005	6	123.1247	2.288	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(OB)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CHH)(OB)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(H)2	123.9120	0.000	1	123.9120	0.000	1	122.7603	3.005	6	123.1247	2.288	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(OP)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CHH)(OP)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(H)2	124.3775	0.443	2	124.3775	0.197	2	122.7603	3.005	6	123.1247	2.288	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:1:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(OZn)	C[6a](C[6a]C[6a]C)2(CCO)	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(CHH)(OZn)	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(H)2	120.7970	0.593	2	120.7970	0.351	2	122.7603	3.005	6	123.1247	2.288	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:O-1:	C(C[6a]C[6a]2)(CNO)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NS)(O)	C(C[6a]C[6a]2)(CNO)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NS)(O)	120.0900	0.000	1	120.0900	0.000	1	120.0900	0.000	1	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(COO)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(COO)(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	117.7040	0.000	1	117.7040	0.000	1	118.7755	2.296	2	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(COO)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OH)(O)	C(C[6a]C[6a]2)(COO)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OH)(O)	119.8470	0.000	1	119.8470	0.000	1	118.7755	2.296	2	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(CHN)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(NN)(H)	C(C[6a]C[6a]2)(CHN)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NN)(H)	118.2980	0.000	1	118.2980	0.000	1	119.7366	3.075	9	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(CHN)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(NN[5a])(H)	C(C[6a]C[6a]2)(CHN)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NN[5a])(H)	122.1600	0.000	1	122.1600	0.000	1	119.7366	3.075	9	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(CHN)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(NO)(H)	C(C[6a]C[6a]2)(CHN)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NO)(H)	119.5959	1.659	7	119.5959	2.753	7	119.7366	3.075	9	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(COO)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(OC)(O)	C(C[6a]C[6a]2)(COO)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(OC)(O)	120.6856	2.849	17	120.7848	7.306	19	120.0298	6.745	31	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(COO)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(OC)(O)	C(C[6a]C[6a]2)(COO)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|H<1>,2|C<3>}	C(CC[6a]N)(OC)(O)	121.6275	0.207	2	120.7848	7.306	19	120.0298	6.745	31	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(COO)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	C(CC[6a]N)(OC)(O)	C(C[6a]C[6a]2)(COO)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(OC)(O)	119.4082	1.745	6	119.4082	3.046	6	120.0298	6.745	31	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(COO)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	C(CC[6a]N)(OH)(O)	C(C[6a]C[6a]2)(COO)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(OH)(O)	118.1220	0.000	1	118.1220	0.000	1	120.0298	6.745	31	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(COO)(NP)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCN)	C(CC[6a]N)(OC)(O)	C(C[6a]C[6a]2)(COO)(NP)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]N)(OC)(O)	119.2540	2.411	2	119.2540	5.814	2	120.0298	6.745	31	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(COO)(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(CC[6a]N)(OC)(O)	C(C[6a]C[6a]2)(COO)(NP)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]N)(OC)(O)	120.7780	0.000	1	120.7780	0.000	1	120.0298	6.745	31	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(COO)(NS)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(OC)(O)	C(C[6a]C[6a]2)(COO)(NS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(OC)(O)	116.0775	0.032	2	116.0775	0.001	2	120.0298	6.745	31	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-2:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[5a,6a]C[6a])(CCH)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CC)(H)	C(C[6a]C[5a,6a]C[6a])(CCH)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO){1|C<4>,1|H<1>,3|C<3>}	C(CC[6a]O)(CC)(H)	126.2490	3.540	2	126.2490	12.530	2	126.2490	12.530	2	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(CCH)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CC)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CC)(H)	127.1460	0.000	1	127.1460	0.000	1	125.1290	8.137	2	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(CCH)(OSi)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CC)(H)	C(C[6a]C[6a]2)(CCH)(OSi)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CC)(H)	123.1120	0.000	1	123.1120	0.000	1	125.1290	8.137	2	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:I-2:H-1:	C(C[6a]C[6a]2)(CHI)(OS)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(IC[6a])(H)	C(C[6a]C[6a]2)(CHI)(OS)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]O)(IC[6a])(H)	131.9530	0.000	1	132.3620	0.335	2	132.3620	0.335	2	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:I-2:H-1:	C(C[6a]C[6a]2)(CHI)(OS)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(IC[6a])(H)	C(C[6a]C[6a]2)(CHI)(OS)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(IC[6a])(H)	132.7710	0.000	1	132.3620	0.335	2	132.3620	0.335	2	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(CHN)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NS)(H)	C(C[6a]C[6a]2)(CHN)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NS)(H)	124.5930	0.000	1	124.5930	0.000	1	124.5930	0.000	1	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(COO)(OFe)	C[6a](C[6a]C[6a]2)2(CCO)	C(CC[6a]O)(OFe)(O)	C(C[6a]C[6a]2)(COO)(OFe)	C[6a](C[6a]C[6a]2)2(CCO){2|H<1>,5|C<3>}	C(CC[6a]O)(OFe)(O)	120.0740	0.000	1	120.0740	0.000	1	122.2327	3.495	3	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(COO)(OFe)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(OFe)(O)	C(C[6a]C[6a]2)(COO)(OFe)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(OFe)(O)	123.3120	0.008	2	123.3120	0.000	2	122.2327	3.495	3	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:H-1:	C(C[6a]C[6a]2)(CHS)(OP)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(SC)(H)	C(C[6a]C[6a]2)(CHS)(OP)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(SC)(H)	126.4270	0.000	1	126.4270	0.000	1	126.4270	0.000	1	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(CCH)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(CC)(H)	C(C[6a]C[6a]2)(CCH)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(CC)(H)	121.1280	0.000	1	121.1280	0.000	1	121.1280	0.000	1	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:H-1:	C(C[6a]C[6a]2)(CHS)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(SC[6a])(H)	C(C[6a]C[6a]2)(CHS)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(SC[6a])(H)	129.3400	0.781	2	129.3400	0.609	2	124.2183	5.857	13	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:H-1:	C(C[6a]C[6a]2)(CHS)(SMo)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCS)	C(CC[6a]S)(SMo)(H)	C(C[6a]C[6a]2)(CHS)(SMo)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCS){1|H<1>,2|C<3>}	C(CC[6a]S)(SMo)(H)	124.0080	0.447	2	124.0080	0.200	2	124.2183	5.857	13	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:H-1:	C(C[6a]C[6a]2)(CHS)(SMo)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCS)	C(CC[6a]S)(SMo)(H)	C(C[6a]C[6a]2)(CHS)(SMo)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCS){1|C<3>,1|H<1>}	C(CC[6a]S)(SMo)(H)	123.7930	0.000	1	123.7930	0.000	1	124.2183	5.857	13	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:H-1:	C(C[6a]C[6a]2)(CHS)(SMo)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(SMo)(H)	C(C[6a]C[6a]2)(CHS)(SMo)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(SMo)(H)	123.0880	0.000	1	123.0880	0.000	1	124.2183	5.857	13	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:H-1:	C(C[6a]C[6a]2)(CHS)(SNi)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCS)	C(CC[6a]S)(SNi)(H)	C(C[6a]C[6a]2)(CHS)(SNi)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCS){1|H<1>,2|C<3>}	C(CC[6a]S)(SNi)(H)	123.7045	1.167	2	123.7045	1.363	2	124.2183	5.857	13	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:H-1:	C(C[6a]C[6a]2)(CHS)(SNi)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(SNi)(H)	C(C[6a]C[6a]2)(CHS)(SNi)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(SNi)(H)	122.3730	0.000	1	122.7760	0.325	2	124.2183	5.857	13	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:H-1:	C(C[6a]C[6a]2)(CHS)(SNi)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(SNi)(H)	C(C[6a]C[6a]2)(CHS)(SNi)	C[6a](C[6a]C[6a]H)2(CCS){1|N<2>,2|H<1>}	C(CC[6a]S)(SNi)(H)	123.1790	0.000	1	122.7760	0.325	2	124.2183	5.857	13	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:H-1:	C(C[6a]C[6a]2)(CHS)(SRu)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(SRu)(H)	C(C[6a]C[6a]2)(CHS)(SRu)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(SRu)(H)	122.8835	1.638	2	122.8835	2.684	2	124.2183	5.857	13	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:H-1:	C(C[6a]C[6a]2)(CHS)(SW)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(SW)(H)	C(C[6a]C[6a]2)(CHS)(SW)	C[6a](C[6a]C[6a]H)2(CCS){1|N<2>,2|H<1>}	C(CC[6a]S)(SW)(H)	122.5330	0.000	1	122.5330	0.000	1	124.2183	5.857	13	121.7258	13.059	68	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)(CN)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCC)(CN)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCC){1|H<1>,2|C<3>}	C(CC[6a]C)(CN)2	130.8760	0.187	2	130.8760	0.035	2	128.5297	16.533	3	123.8771	29.378	8	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)(CN)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCC)(CN)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CCC){1|H<1>,2|C<3>}	C(CC[6a]C)(CN)2	123.8370	0.000	1	123.8370	0.000	1	128.5297	16.533	3	123.8771	29.378	8	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:S-2:	C(C[6a]C[6a]2)(CSS)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(SC)2	C(C[6a]C[6a]2)(CSS)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(SC)2	128.0650	0.000	1	128.0650	0.000	1	128.0650	0.000	1	123.8771	29.378	8	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:N-2:	C(C[6a]C[6a]2)(CNO)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(OMn)(NN)	C(C[6a]C[6a]2)(CNO)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(OMn)(NN)	119.7995	0.306	2	119.7995	0.094	2	119.7995	0.094	2	123.8771	29.378	8	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-2:	C(C[6a]C[6a]2)(COO)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(OFe)(OC)	C(C[6a]C[6a]2)(COO)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(OFe)(OC)	120.7330	0.000	1	120.7330	0.000	1	120.7330	0.000	1	123.8771	29.378	8	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:N-2:	C(C[6a]C[6a]2)(CNS)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(SC[6a])(NC)	C(C[6a]C[6a]2)(CNS)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(SC[6a])(NC)	117.0310	0.000	1	117.0310	0.000	1	117.0310	0.000	1	123.8771	29.378	8	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:C-3:	C(C[6a]C[6a]2)(CCS)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(SC[6a])(COO)	C(C[6a]C[6a]2)(CCS)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(SC[6a])(COO)	124.6210	0.750	2	124.6210	0.562	2	124.6210	0.562	2	124.6210	0.562	2	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:4:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:C-4:	C(C[6a]C[6a]2)(CCN)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(NC[6a])(CCHH)	C(C[6a]C[6a]2)(CCN)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NC[6a])(CCHH)	117.6820	0.000	1	117.6820	0.000	1	117.6920	0.000	2	120.7593	28.226	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:4:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:C-4:	C(C[6a]C[6a]2)(CCN)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(NC[6a])(CH3)	C(C[6a]C[6a]2)(CCN)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]N)(NC[6a])(CH3)	117.7020	0.000	1	117.7020	0.000	1	117.6920	0.000	2	120.7593	28.226	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:2:4:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:I-2:C-4:	C(C[6a]C[6a]2)(CCI)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(IC[6a])(CH3)	C(C[6a]C[6a]2)(CCI)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(IC[6a])(CH3)	126.8940	0.000	1	126.8940	0.000	1	126.8940	0.000	1	120.7593	28.226	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCC)(H)	128.0410	0.310	2	128.0410	0.096	2	124.8506	11.250	8	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6]H)(H)	C(C[6a]C[6a]2)(CCH)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6]H)(H)	123.3980	0.000	1	123.3980	0.000	1	124.8506	11.250	8	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(CFe)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(CFe)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(H)	117.6550	0.000	1	117.6550	0.000	1	124.8506	11.250	8	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(H)	125.2600	0.000	1	125.6225	0.263	2	124.8506	11.250	8	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|N<2>,2|H<1>}	C(CC[6a]C)(CCH)(H)	125.9850	0.000	1	125.6225	0.263	2	124.8506	11.250	8	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCN)(H)	124.0520	0.000	1	124.0520	0.000	1	124.8506	11.250	8	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CHN)(H)	126.3730	0.000	1	126.3730	0.000	1	124.8506	11.250	8	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NCH)(H)	C(C[6a]C[6a]2)(CHN)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NCH)(H)	125.0785	0.691	2	125.0785	0.477	2	125.0785	0.477	2	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[5]C[5]N[5])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(C[5]C[5]N[5])(CC[6a]C)(H)	123.0840	0.000	1	123.0840	0.000	1	124.1175	1.111	4	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(CN)	C[6a](C[6a]C[6a]F)2(CCC)	C(C[5]N[5]S[5])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CN)	C[6a](C[6a]C[6a]F)2(CCC){1|C<3>,2|F<1>}	C(C[5]N[5]S[5])(CC[6a]C)(H)	123.6550	0.000	1	123.6550	0.000	1	124.1175	1.111	4	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5]C[5]N[5])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5]C[5]N[5])(CC[6a]C)(H)	124.1830	0.000	1	124.1830	0.000	1	124.1175	1.111	4	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5]Se[5]N[5])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5]Se[5]N[5])(CC[6a]C)(H)	125.5480	0.000	1	125.5480	0.000	1	124.1175	1.111	4	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]F)2(CCC)	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]F)2(CCC){1|C<3>,2|F<1>}	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	121.6535	0.894	2	121.6535	0.800	2	124.4202	2.773	15	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5a]C[5a,6a]C[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]C)(H)	124.9510	0.000	1	124.2700	0.928	2	124.4202	2.773	15	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5a]C[5a,6a]C[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|O<2>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]C)(H)	123.5890	0.000	1	124.2700	0.928	2	124.4202	2.773	15	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5a]C[5a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]2)(CC[6a]C)(H)	123.8700	0.000	1	123.8700	0.000	1	124.4202	2.773	15	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5a]C[5a]N[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a]C)(H)	125.2575	0.094	2	125.2575	0.009	2	124.4202	2.773	15	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	123.5060	0.000	1	123.4995	0.000	2	124.4202	2.773	15	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|O<2>}	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	123.4930	0.000	1	123.4995	0.000	2	124.4202	2.773	15	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5a]C[5a]S[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	C(C[5a]C[5a]S[5a])(CC[6a]C)(H)	125.2540	0.000	1	125.5120	2.235	6	124.4202	2.773	15	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5a]C[5a]S[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(CC[6a]C)(H)	125.9048	1.710	4	125.5120	2.235	6	124.4202	2.773	15	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5a]C[5a]S[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|O<2>}	C(C[5a]C[5a]S[5a])(CC[6a]C)(H)	124.1990	0.000	1	125.5120	2.235	6	124.4202	2.773	15	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCC)	C(C[6]C[5a,6]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6]H)(CC)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCC){1|H<1>,2|C<3>}	C(C[6]C[5a,6]2)(CC[6a]C)(H)	120.7990	0.000	1	120.7990	0.000	1	120.8305	0.002	2	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6]C[5a,6]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6]H)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6]C[5a,6]2)(CC[6a]C)(H)	120.8620	0.000	1	120.8620	0.000	1	120.8305	0.002	2	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	120.4900	0.000	1	120.4900	0.000	1	124.0677	1.964	120	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	123.3990	0.000	1	123.3990	0.000	1	124.0677	1.964	120	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]Br)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]Br)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	124.1093	2.866	3	124.1093	8.214	3	124.0677	1.964	120	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	126.9150	1.352	2	126.9150	1.828	2	124.0677	1.964	120	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	125.4990	2.481	3	125.4990	6.154	3	124.0677	1.964	120	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	123.7405	0.349	4	123.7405	0.122	4	124.0677	1.964	120	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	125.0560	0.000	1	125.0560	0.000	1	124.0677	1.964	120	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[5a,6a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(CC[6a]C)(H)	122.9450	0.164	2	123.7593	2.003	3	124.0677	1.964	120	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[5a,6a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|O<2>}	C(C[6a]C[5a,6a]C[6a])(CC[6a]C)(H)	125.3880	0.000	1	123.7593	2.003	3	124.0677	1.964	120	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|C<4>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	122.3030	0.000	1	123.4340	1.547	3	124.0677	1.964	120	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	123.9995	1.084	2	123.4340	1.547	3	124.0677	1.964	120	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	124.8080	0.000	1	124.0403	1.603	99	124.0677	1.964	120	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	122.8110	0.000	1	124.0403	1.603	99	124.0677	1.964	120	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	124.5560	0.000	1	124.0403	1.603	99	124.0677	1.964	120	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	125.0100	0.000	1	124.0403	1.603	99	124.0677	1.964	120	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	123.9080	0.000	1	124.0403	1.603	99	124.0677	1.964	120	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	124.0539	1.289	89	124.0403	1.603	99	124.0677	1.964	120	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	123.6965	2.000	2	124.0403	1.603	99	124.0677	1.964	120	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	123.5677	1.171	3	124.0403	1.603	99	124.0677	1.964	120	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:Br-1:	C(C[6a]C[6a]2)(CBrC)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CHO)(Br)	C(C[6a]C[6a]2)(CBrC)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CHO)(Br)	122.3490	0.000	1	122.3490	0.000	1	122.3490	0.000	1	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CC[6a]O)(H)	117.0285	0.173	2	117.0285	0.030	2	119.9048	2.748	25	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[5a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[5a]H)(CC[6a]N)(H)	120.3240	0.000	1	120.3240	0.000	1	119.9048	2.748	25	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]N)(H)	117.9195	0.969	2	117.9195	0.940	2	119.9048	2.748	25	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]N)(H)	120.8237	0.723	7	120.8237	0.523	7	119.9048	2.748	25	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCH)(H)	116.9580	0.000	1	116.9580	0.000	1	119.9048	2.748	25	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCO)(H)	118.9960	0.000	1	118.9960	0.000	1	119.9048	2.748	25	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CN[6]C)(H)	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CN[6]C)(H)	118.7570	0.000	1	118.7570	0.000	1	119.9048	2.748	25	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[5a]C[6a])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CC[6a]N)(H)	120.7705	0.534	2	120.7705	0.285	2	119.9048	2.748	25	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]N)(H)	121.1655	1.153	6	121.1655	1.330	6	119.9048	2.748	25	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NS)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(NS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCH)(H)	120.0650	0.000	1	120.0650	0.000	1	119.9048	2.748	25	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NSi)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(NSi)	C[6a](C[6a]C[6a]H)2(CCN){1|N<2>,2|H<1>}	C(CC[6a]N)(CCN)(H)	118.3230	0.000	1	118.3230	0.000	1	119.9048	2.748	25	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:I-1:	C(C[6a]C[6a]2)(CCI)(NS)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]2)(CC[6a]N)(I)	C(C[6a]C[6a]2)(CCI)(NS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]N)(I)	119.0300	0.000	1	119.0300	0.000	1	119.0300	0.000	1	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]N)(NCH)(O)	116.7370	0.000	1	116.7370	0.000	1	118.1636	0.958	11	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CNO)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NC[6a]C)(O)	118.7770	0.000	1	118.7770	0.000	1	118.1636	0.958	11	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(NHN)(O)	C(C[6a]C[6a]2)(CNO)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NHN)(O)	118.7770	0.000	1	118.7770	0.000	1	118.1636	0.958	11	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	C(CC[6a]N)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NCH)(O)	118.7390	0.000	1	118.7390	0.000	1	118.1636	0.958	11	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	C(CC[6a]N)(NCO)(O)	C(C[6a]C[6a]2)(CNO)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NCO)(O)	119.4190	0.000	1	119.4190	0.000	1	118.1636	0.958	11	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	C(CC[6a]N)(NHN)(O)	C(C[6a]C[6a]2)(CNO)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NHN)(O)	117.6880	0.893	5	117.6880	0.798	5	118.1636	0.958	11	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CNO)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NCH)(O)	118.9110	0.000	1	118.9110	0.000	1	118.1636	0.958	11	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN)	C(C[5]N[5]S[5])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[5]H)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[5]N[5]S[5])(CC[6a]N)(H)	116.9860	1.499	2	116.9860	2.247	2	116.9860	2.247	2	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN)	C(C[5a]C[5a,6a]O[5a])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[5a]H)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]O[5a])(CC[6a]N)(H)	119.9590	0.000	1	119.9590	0.000	1	119.9590	0.000	1	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6]C[6]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6]H)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]N)(H)	117.8710	0.000	1	117.8710	0.000	1	117.8710	0.000	1	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(H)	121.9720	0.000	1	121.9720	0.000	1	121.9720	0.000	1	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(O)	C(C[6a]C[6a]2)(CC[6a]O)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(O)	118.7490	0.000	1	118.7490	0.000	1	118.4509	2.147	28	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(O)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(O)	117.0270	0.000	1	117.0270	0.000	1	118.4509	2.147	28	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(O)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(O)	117.5520	0.000	1	117.5520	0.000	1	118.4509	2.147	28	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(O)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(O)	116.0648	0.281	4	116.0648	0.079	4	118.4509	2.147	28	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(O)	C(C[6a]C[6a]2)(CC[6a]O)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(O)	118.8024	1.000	16	118.8024	1.000	16	118.4509	2.147	28	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(O)	C(C[6a]C[6a]2)(CC[6a]O)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(O)	119.6396	1.413	5	119.6396	1.997	5	118.4509	2.147	28	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CCH)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCO)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a,6a]2)(CCH)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCO){2|H<1>,5|C<3>}	C(CC[6a]O)(CSS)(H)	122.4750	0.000	1	122.4750	0.000	1	122.1705	0.185	2	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CCH)(ONi)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCO)	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a,6a]2)(CCH)(ONi)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCO){2|H<1>,5|C<3>}	C(CC[6a]O)(CHN)(H)	121.8660	0.000	1	121.8660	0.000	1	122.1705	0.185	2	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(ONi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(ONi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	C(CC[6a]O)(CHN)(H)	120.7760	0.373	2	120.7760	0.139	2	118.8752	3.879	5	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(OPd)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(OPd)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,4|C<3>}	C(CC[6a]O)(CCN)(H)	117.6080	1.291	3	117.6080	1.667	3	118.8752	3.879	5	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OAl)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OAl)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO){1|C<3>,1|H<1>}	C(CC[6a]O)2(H)	120.5558	0.639	12	120.5558	0.408	12	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OAl)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OAl)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	121.0215	0.924	2	121.0215	0.854	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OB)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OB)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]N)(CC[6a]O)(H)	125.9100	0.000	1	125.9100	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OB)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCP)(H)	C(C[6a]C[6a]2)(CCH)(OB)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCP)(H)	124.5363	0.595	3	124.5363	0.354	3	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCO)(H)	126.2930	0.000	1	126.2930	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCH)(H)	126.4070	0.000	1	126.4070	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]O)(COO)(H)	121.4440	0.000	1	121.1653	1.136	3	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(COO)(H)	121.0260	1.468	2	121.1653	1.136	3	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(COO)(H)	120.7390	0.000	1	120.7390	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]N)(CC[6a]O)(H)	124.6900	2.408	2	124.6900	5.800	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCO)(H)	128.0640	0.000	1	128.0640	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CNO)(H)	121.8503	1.363	3	121.8503	1.856	3	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(COO)(H)	122.6564	1.901	5	122.6564	3.615	5	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OCd)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCd)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|S<2>}	C(CC[6a]O)(CCO)(H)	120.6455	0.053	2	120.6455	0.003	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OCd)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCd)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	119.0618	0.545	4	119.0618	0.297	4	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OCo)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCo)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|S<2>}	C(CC[6a]O)(CCO)(H)	119.7615	1.406	2	119.7615	1.978	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OCo)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCo)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	C(CC[6a]O)(CCO)(H)	119.8230	0.000	1	119.8230	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OCo)	C[6a](C[6a]C[6a]2)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCo)	C[6a](C[6a]C[6a]2)2(CCO){2|H<1>,5|C<3>}	C(CC[6a]O)(CCO)(H)	119.4555	0.271	2	119.4555	0.073	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OCo)	C[6a](C[6a]C[6a]F)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCo)	C[6a](C[6a]C[6a]F)2(CCO){1|C<3>,2|F<1>}	C(CC[6a]O)2(H)	118.0007	2.026	3	118.0007	4.106	3	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OCo)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCo)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	120.5620	0.000	1	119.9867	1.162	3	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OCo)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCo)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<4>,2|C<3>}	C(CC[6a]O)2(H)	119.6990	1.352	2	119.9867	1.162	3	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OCo)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OCo)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCN)(H)	120.1053	0.729	12	120.1053	0.532	12	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OCo)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCo)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCO)(H)	120.6723	0.602	4	120.6723	0.362	4	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OCo)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCo)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	119.0456	0.987	17	119.0456	0.974	17	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OCr)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OCr)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCN)(H)	123.7690	0.000	1	123.7690	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OCr)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCr)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCO)(H)	121.4580	0.000	1	121.4580	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OCr)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCr)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	120.4733	0.715	17	120.4733	0.511	17	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OCu)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|S<2>}	C(CC[6a]O)(CCO)(H)	120.8890	0.199	2	120.8890	0.040	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OCu)	C[6a](C[6a]C[6a]2)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	C[6a](C[6a]C[6a]2)2(CCO){2|H<1>,5|C<3>}	C(CC[6a]O)(CCO)(H)	119.3890	0.000	1	119.3890	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OCu)	C[6a](C[6a]C[6a]F)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCu)	C[6a](C[6a]C[6a]F)2(CCO){1|C<3>,2|F<1>}	C(CC[6a]O)2(H)	118.4265	0.572	24	118.4969	0.366	34	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OCu)	C[6a](C[6a]C[6a]F)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCu)	C[6a](C[6a]C[6a]F)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	118.6658	0.679	10	118.4969	0.366	34	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OCu)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCN)(H)	120.7105	0.518	8	120.7105	0.268	8	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OCu)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCO)(H)	119.7943	0.847	9	119.9090	0.462	17	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OCu)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	C[6a](C[6a]C[6a]H)2(CCO){1|H<1>,2|C<3>}	C(CC[6a]O)(CCO)(H)	120.0380	0.447	8	119.9090	0.462	17	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OCu)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CC[5]O)(H)	121.6035	0.992	2	121.6035	0.984	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OCu)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CSS)(H)	116.3715	0.491	2	116.3715	0.242	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OCu)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCu)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	119.8938	0.741	13	119.8938	0.549	13	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OFe)	C[6a](C[6a]C[6a]F)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OFe)	C[6a](C[6a]C[6a]F)2(CCO){1|C<3>,2|F<1>}	C(CC[6a]O)2(H)	119.1912	0.994	4	119.1912	0.988	4	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OFe)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OFe)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCN)(H)	121.5905	0.194	2	121.5905	0.038	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OFe)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OFe)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCO)(H)	119.4817	1.203	3	120.2306	0.944	9	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OFe)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OFe)	C[6a](C[6a]C[6a]H)2(CCO){1|H<1>,2|C<3>}	C(CC[6a]O)(CCO)(H)	120.6050	0.654	6	120.2306	0.944	9	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OFe)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OFe)	C[6a](C[6a]C[6a]H)2(CCO){1|N<2>,2|H<1>}	C(CC[6a]O)2(H)	120.3950	0.000	1	120.3950	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[5a]O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	C(CC[5a]O)(CC[6a]O)(H)	124.3590	0.315	2	124.3590	0.099	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	C(CC[6a]O)2(H)	123.7110	0.211	2	123.7110	0.044	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CCO){2|C<3>}	C(CC[6a]O)(CCO)(H)	125.8195	0.062	2	125.8195	0.004	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]2)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]2)2(CCO){2|H<1>,5|C<3>}	C(CC[6a]O)(CCO)(H)	122.4710	0.000	1	122.4710	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CNS)(H)	124.3290	0.000	1	124.3290	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(COO)(H)	125.4210	0.000	1	125.4210	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CSS)(H)	124.2590	0.000	1	124.2590	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]O)2(H)	125.8590	0.000	1	123.9157	4.324	6	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	C(CC[6a]O)2(H)	123.5270	2.067	5	123.9157	4.324	6	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCO){1|C<3>,1|H<1>}	C(CC[6a]O)2(H)	123.4770	0.000	1	123.4770	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[5a]O)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[5a]O)(CC[6a]O)(H)	124.0990	0.659	3	124.0990	0.434	3	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCN)(H)	119.7630	0.099	2	119.7630	0.010	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCO)(H)	123.7737	0.522	3	123.7524	0.114	8	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|H<1>,2|C<3>}	C(CC[6a]O)(CCO)(H)	123.5280	0.000	1	123.7524	0.114	8	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO){3|C<3>}	C(CC[6a]O)(CCO)(H)	123.7925	0.255	4	123.7524	0.114	8	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CC[5]O)(H)	123.9240	1.291	5	123.8386	1.328	7	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|H<1>,2|C<3>}	C(CC[6a]O)(CC[5]O)(H)	123.6250	1.080	2	123.8386	1.328	7	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CC[6a]S)(H)	123.1640	0.000	1	123.1640	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(COO)(H)	124.6060	0.191	2	124.6060	0.036	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]O)(CSS)(H)	123.9225	0.822	2	123.6670	0.534	3	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CSS)(H)	123.1560	0.000	1	123.6670	0.534	3	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|F<1>,1|H<1>}	C(CC[6a]O)2(H)	123.5753	0.782	3	123.9346	0.686	23	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	124.0686	0.846	18	123.9346	0.686	23	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|O<2>}	C(CC[6a]O)2(H)	123.0500	0.000	1	123.9346	0.686	23	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|H<1>,2|C<3>}	C(CC[6a]O)2(H)	123.4860	0.000	1	123.9346	0.686	23	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OIr)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OIr)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	C(CC[6a]O)(CCO)(H)	118.8360	0.000	1	118.8360	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OIr)	C[6a](C[6a]C[6a]C)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OIr)	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	118.7230	0.119	2	118.7230	0.014	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OIr)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CIrC)(H)	C(C[6a]C[6a]2)(CCH)(OIr)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CIrC)(H)	125.1860	0.000	1	125.1860	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OIr)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OIr)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	119.1466	1.250	7	119.1466	1.563	7	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OMn)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OMn)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<4>,2|C<3>}	C(CC[6a]O)2(H)	120.8040	0.000	1	120.8040	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OMn)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OMn)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCN)(H)	122.0000	1.723	2	122.0000	2.967	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OMn)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OMn)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCO)(H)	119.8943	0.774	13	119.8943	0.600	13	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OMn)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OMn)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	120.8158	0.521	5	120.8158	0.272	5	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OMo)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OMo)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCN)(H)	123.4440	0.482	3	123.4440	0.232	3	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	C(CC[6a]O)(CSS)(H)	120.1560	1.175	3	120.1560	1.380	3	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCO){2|H<1>,3|C<3>}	C(CC[6a]O)(CHN)(H)	123.6610	0.000	1	123.6610	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]2)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]2)2(CCO){2|H<1>,5|C<3>}	C(CC[6a]O)(CCO)(H)	117.4897	2.076	3	117.4897	4.311	3	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]F)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]F)2(CCO){1|C<3>,2|F<1>}	C(CC[6a]O)2(H)	118.5137	1.506	6	118.5137	2.268	6	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	119.8200	2.149	3	120.1606	2.875	5	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|H<1>,2|C<3>}	C(CC[6a]O)2(H)	120.6715	1.182	2	120.1606	2.875	5	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCN)(H)	120.8818	0.910	12	120.8818	0.829	12	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCO)(H)	119.5687	0.736	3	119.5898	0.365	5	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]H)2(CCO){1|H<1>,2|C<3>}	C(CC[6a]O)(CCO)(H)	119.6215	0.610	2	119.5898	0.365	5	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CHN)(H)	121.9325	0.136	2	121.9325	0.019	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CSS)(H)	121.7278	0.877	6	121.7278	0.768	6	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	118.8789	1.195	26	118.8789	1.428	26	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OOs)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OOs)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	119.3867	0.708	8	119.3867	0.501	8	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OOs)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]Os)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OOs)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]Os)(CC[6a]O)(H)	123.9350	0.000	1	123.9350	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OPd)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OPd)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	C(CC[6a]O)(CCO)(H)	119.7430	1.820	2	119.7430	3.313	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OPd)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OPd)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCO)(H)	121.0895	0.852	2	121.0895	0.726	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OPd)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OPd)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CSS)(H)	122.0550	0.000	1	122.0550	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OPd)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OPd)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	119.6675	0.367	4	119.6675	0.135	4	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OPt)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OPt)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	C(CC[6a]O)(CSS)(H)	120.6100	0.460	2	120.6100	0.211	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OPt)	C[6a](C[6a]C[6a]C)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OPt)	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	119.4910	0.205	2	119.4910	0.042	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OPt)	C[6a](C[6a]C[6a]F)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OPt)	C[6a](C[6a]C[6a]F)2(CCO){1|C<3>,2|F<1>}	C(CC[6a]O)2(H)	119.1900	0.243	2	119.1900	0.059	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OPt)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OPt)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CSS)(H)	120.3300	0.000	1	120.3300	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OPt)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OPt)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCO)(H)	119.7115	1.552	2	119.7115	2.409	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OPt)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OPt)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]O)(CSS)(H)	119.3808	0.643	4	119.7749	1.259	14	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OPt)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OPt)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CSS)(H)	119.9326	1.259	10	119.7749	1.259	14	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OPt)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OPt)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]O)2(H)	120.1345	0.179	2	120.0465	0.724	20	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OPt)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OPt)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	120.0361	0.956	16	120.0465	0.724	20	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OPt)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OPt)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|O<2>}	C(CC[6a]O)2(H)	120.0420	0.062	2	120.0465	0.724	20	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ORh)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(ORh)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCO)(H)	120.4810	0.000	1	120.4810	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ORh)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(ORh)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	120.3818	1.133	6	120.3818	1.283	6	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ORu)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]O)(CCO)(H)	119.2650	0.000	1	119.2650	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ORu)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCO){1|H<1>,2|C<3>}	C(CC[6a]O)(CCO)(H)	119.5200	0.000	1	119.5200	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ORu)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[5a]H)(CC[6a]O)(H)	120.1135	0.712	2	120.1135	0.507	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ORu)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]O)(H)	120.1587	0.782	3	120.1587	0.612	3	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ORu)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|F<1>,1|H<1>}	C(CC[6a]O)(CCN)(H)	119.3950	0.000	1	119.3950	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ORu)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCO)(H)	119.8460	0.560	2	119.8460	0.314	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ORu)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CHN)(H)	121.0425	0.101	2	121.0425	0.010	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ORu)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]O)(CSS)(H)	119.9070	0.000	1	119.9070	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ORu)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(ORu)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	119.9965	1.097	4	119.9965	1.203	4	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OS)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(OS)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCH)(H)	127.9695	1.846	2	127.9695	3.409	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OS)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OS)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	127.3810	0.000	1	127.3810	0.000	1	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OZn)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OZn)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCO){1|C<3>,1|H<1>,1|S<2>}	C(CC[6a]O)2(H)	119.7385	0.425	2	119.7385	0.181	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OZn)	C[6a](C[6a]C[6a]2)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OZn)	C[6a](C[6a]C[6a]2)2(CCO){2|H<1>,5|C<3>}	C(CC[6a]O)(CCO)(H)	119.2805	0.155	2	119.2805	0.024	2	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OZn)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OZn)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCN)(H)	119.5768	0.724	6	119.5768	0.524	6	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OZn)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OZn)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]O)(CCO)(H)	120.6995	1.487	2	120.0027	2.357	4	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OZn)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OZn)	C[6a](C[6a]C[6a]H)2(CCO){1|H<1>,2|C<3>}	C(CC[6a]O)(CCO)(H)	119.3060	1.708	2	120.0027	2.357	4	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OZn)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OZn)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	118.6155	1.226	4	118.6155	1.503	4	120.6038	4.504	475	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NCS)(H)	C(C[6a]C[6a]2)(CHN)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NCS)(H)	122.6885	1.380	4	122.6885	1.904	4	121.8283	3.704	12	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(OCo)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NCoC)(H)	C(C[6a]C[6a]2)(CHN)(OCo)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NCoC)(H)	121.8957	1.032	3	121.8957	1.064	3	121.8283	3.704	12	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(OMn)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(OMn)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NOO)(H)	116.8730	0.000	1	116.8730	0.000	1	121.8283	3.704	12	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(ONi)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NNiC)(H)	C(C[6a]C[6a]2)(CHN)(ONi)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NNiC)(H)	121.8157	1.332	3	121.8157	1.775	3	121.8283	3.704	12	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(OPt)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NPtO)(H)	C(C[6a]C[6a]2)(CHN)(OPt)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NPtO)(H)	123.1780	0.000	1	123.1780	0.000	1	121.8283	3.704	12	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]C[5]N[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]C[5]N[5])(CC[6a]O)(H)	123.4107	0.851	3	123.4107	0.724	3	121.2268	2.866	11	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(OCu)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]N[5]O[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(OCu)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]N[5]O[5])(CC[6a]O)(H)	120.0710	0.085	2	120.0710	0.007	2	121.2268	2.866	11	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(ONi)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]N[5]O[5])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(ONi)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]N[5]O[5])(CC[6a]O)(H)	120.5202	1.203	6	120.5202	1.447	6	121.2268	2.866	11	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5a]H)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]O)(H)	128.1998	0.589	5	128.1998	0.347	5	127.9661	0.444	7	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5a]C[5a]N[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5a]H)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a]O)(H)	127.7820	0.000	1	127.7820	0.000	1	127.9661	0.444	7	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5a]N[5a]O[5a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5a]H)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5a]N[5a]O[5a])(CC[6a]O)(H)	126.9820	0.000	1	126.9820	0.000	1	127.9661	0.444	7	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(OAl)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(OAl)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	120.8545	0.176	2	120.8545	0.031	2	121.4987	0.763	13	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(OAl)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(OAl)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	122.3080	0.296	6	122.3080	0.088	6	121.4987	0.763	13	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(OCu)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(OCu)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	121.3640	0.368	2	121.3640	0.135	2	121.4987	0.763	13	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(OZn)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(OZn)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	120.3993	0.249	3	120.3993	0.062	3	121.4987	0.763	13	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:I-1:	C(C[6a]C[6a]2)(CC[6]I)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6]C[6]2)(CC[6a]O)(I)	C(C[6a]C[6a]2)(CC[6]I)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]O)(I)	128.0080	0.000	1	128.0080	0.000	1	128.0080	0.000	1	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(H)	127.1113	0.579	7	127.1113	0.336	7	126.2299	11.208	16	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]H)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(H)	124.7960	0.000	1	124.7960	0.000	1	126.2299	11.208	16	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(H)	124.7170	0.000	1	124.7170	0.000	1	126.2299	11.208	16	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(OFe)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]H)(OFe)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(H)	120.7550	0.754	2	120.7550	0.568	2	126.2299	11.208	16	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]H)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	119.8270	0.000	1	119.8270	0.000	1	126.2299	11.208	16	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(OS)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]H)(OS)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(H)	129.7622	1.279	4	129.7622	1.635	4	126.2299	11.208	16	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:I-1:	C(C[6a]C[6a]2)(CC[6a]I)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(I)	C(C[6a]C[6a]2)(CC[6a]I)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(I)	127.6888	1.593	6	127.6888	2.537	6	127.6888	2.537	6	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:S-2:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CCH)(SPt)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCS)	C(CC[6a]S)(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(SPt)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCS){1|H<1>,3|C<3>}	C(CC[6a]S)(CCH)(H)	121.2970	0.000	1	121.2970	0.000	1	121.2970	0.000	1	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(SC)	C[6a](C[6a]C[6a]C)2(CCS)	C(CC[6a]S)(CC[5]H)(H)	C(C[6a]C[6a]2)(CCH)(SC)	C[6a](C[6a]C[6a]C)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(CC[5]H)(H)	123.2940	0.000	1	123.2940	0.000	1	121.8013	4.388	15	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[5a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CCH)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[5a]O)(CC[6a]S)(H)	119.4365	0.089	4	119.4365	0.008	4	121.8013	4.388	15	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CCH)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]O)(CC[6a]S)(H)	122.2900	0.000	1	122.2900	0.000	1	121.8013	4.388	15	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(CCH)(H)	121.4300	0.000	1	121.4300	0.000	1	121.8013	4.388	15	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]S)(CCO)(H)	125.9665	0.288	2	125.9665	0.083	2	121.8013	4.388	15	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(SNi)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(SNi)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(CHN)(H)	121.7210	0.568	6	121.7210	0.323	6	121.8013	4.388	15	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(NOO)(H)	117.7390	0.000	1	117.7390	0.000	1	117.7390	0.000	1	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(SC[6a])	C[6a](C[6a]C[6a]H)2(CCS)	C(C[5a]N[5a]S[5a])(CC[6a]S)(H)	C(C[6a]C[6a]2)(CC[5a]H)(SC[6a])	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[5a]N[5a]S[5a])(CC[6a]S)(H)	122.5760	0.000	1	122.5760	0.000	1	122.5760	0.000	1	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Cl-1:	C(C[6a]C[6a]2)(CC[6a]Cl)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(Cl)	C(C[6a]C[6a]2)(CC[6a]Cl)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(Cl)	125.1710	0.000	1	125.1710	0.000	1	125.1710	0.000	1	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(SC[6a])	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CC[6a]H)(SC[6a])	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(H)	124.0510	1.482	3	124.0510	2.196	3	124.0510	2.196	3	121.4478	7.499	792	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[5a]O)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5a]C[5a]N[5a])(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CC[5a]O)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a]C)(OC)	126.3657	1.718	3	126.3657	2.951	3	126.3657	2.951	3	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[5a]S)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC)	C(C[5a]C[5a,6a]C[5a])(CC[6a]C)(SC)	C(C[6a]C[6a]2)(CC[5a]S)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC){1|C<3>,1|H<1>,1|O<2>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]C)(SC)	123.9300	0.000	1	123.9300	0.000	1	124.1095	0.064	2	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[5a]S)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC)	C(C[5a]C[5a]S[5a])(CC[6a]C)(SC)	C(C[6a]C[6a]2)(CC[5a]S)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC){1|C<3>,1|H<1>,1|O<2>}	C(C[5a]C[5a]S[5a])(CC[6a]C)(SC)	124.2890	0.000	1	124.2890	0.000	1	124.1095	0.064	2	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC[6a]C)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CC)	123.2542	0.424	4	123.2542	0.180	4	125.5090	3.153	12	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CN)	126.6364	0.721	8	126.6364	0.520	8	125.5090	3.153	12	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(CN)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CC[6a]O)(CN)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CCC){1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(OH)	127.3630	0.000	1	127.3630	0.000	1	127.3630	0.000	1	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(SC)	C(C[6a]C[6a]2)(CC[6a]S)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]C)(SC)	126.5560	0.000	1	124.6617	3.801	3	125.7210	4.048	5	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(SC)	C(C[6a]C[6a]2)(CC[6a]S)(CN)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(SC)	123.7145	1.490	2	124.6617	3.801	3	125.7210	4.048	5	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(SC)	C(C[6a]C[6a]2)(CC[6a]S)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(SC)	127.0170	0.000	1	127.0170	0.000	1	125.7210	4.048	5	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(SC[6a])	C(C[6a]C[6a]2)(CC[6a]S)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(SC[6a])	127.6030	0.000	1	127.6030	0.000	1	125.7210	4.048	5	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:N-2:	C(C[6a]C[6a]2)(CNN)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(NCC)(NS)	C(C[6a]C[6a]2)(CNN)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NCC)(NS)	125.8280	0.000	1	125.8280	0.000	1	123.4245	11.554	2	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:N-2:	C(C[6a]C[6a]2)(CNN)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(NCH)(NO)	C(C[6a]C[6a]2)(CNN)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NCH)(NO)	121.0210	0.000	1	121.0210	0.000	1	123.4245	11.554	2	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-2:	C(C[6a]C[6a]2)(CC[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(NC)	117.2190	0.982	6	117.2190	0.964	6	118.4523	1.170	58	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-2:	C(C[6a]C[6a]2)(CC[6a]N)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(NC)	119.6755	0.549	2	119.6755	0.302	2	118.4523	1.170	58	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-2:	C(C[6a]C[6a]2)(CC[6a]N)(NC[6])	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(NC[6])	C(C[6a]C[6a]2)(CC[6a]N)(NC[6])	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(NC[6])	116.7403	0.500	4	116.7403	0.250	4	118.4523	1.170	58	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-2:	C(C[6a]C[6a]2)(CC[6a]N)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(NC[6a])	C(C[6a]C[6a]2)(CC[6a]N)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(NC[6a])	118.3543	0.764	3	118.3543	0.584	3	118.4523	1.170	58	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-2:	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(NN)	118.6835	0.824	42	118.6835	0.679	42	118.4523	1.170	58	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-2:	C(C[6a]C[6a]2)(CC[6a]N)(NO)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(NO)	C(C[6a]C[6a]2)(CC[6a]N)(NO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(NO)	120.8360	0.000	1	120.8360	0.000	1	118.4523	1.170	58	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(CCO)(ONi)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)2(OH)	C(C[6a]C[6a]2)(CCO)(ONi)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(OH)	121.0267	1.018	4	121.0267	1.036	4	121.0267	1.036	4	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:S-2:	C(C[6a]C[6a]2)(CCS)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CNO)(SC)	C(C[6a]C[6a]2)(CCS)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CNO)(SC)	129.0460	0.000	1	129.0460	0.000	1	129.0460	0.000	1	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:C-2:	C(C[6a]C[6a]2)(CCN)(OFe)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(NFeO)(CN)	C(C[6a]C[6a]2)(CCN)(OFe)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NFeO)(CN)	124.8300	0.306	12	124.8300	0.094	12	124.8300	0.094	12	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(CN)	122.8860	0.000	1	122.8860	0.000	1	122.8860	0.000	1	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(OB)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(OP)	C(C[6a]C[6a]2)(CC[6a]O)(OB)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(OP)	122.3930	0.000	1	122.3930	0.000	1	126.9652	9.352	4	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(OP)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(OB)	C(C[6a]C[6a]2)(CC[6a]O)(OP)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(OB)	128.2650	0.000	1	128.2650	0.000	1	126.9652	9.352	4	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(OSn)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(OSn)	C(C[6a]C[6a]2)(CC[6a]O)(OSn)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(OSn)	128.6015	0.326	2	128.6015	0.106	2	126.9652	9.352	4	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(SC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(SC)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCS){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(CN)	123.1240	0.000	1	123.1240	0.000	1	122.8250	0.929	5	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(CN)	122.3343	0.874	3	122.3343	0.764	3	122.8250	0.929	5	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(SC[6a])	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(SC[6a])	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(CN)	123.9980	0.000	1	123.9980	0.000	1	122.8250	0.929	5	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(SAu)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(SAu)	C(C[6a]C[6a]2)(CC[6a]S)(SAu)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(SAu)	124.1653	1.051	8	124.1653	1.106	8	124.8060	1.472	149	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(SC)	C(C[6a]C[6a]2)(CC[6a]S)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(SC)	124.1360	0.000	1	124.1360	0.000	1	124.8060	1.472	149	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(SCo)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(SCo)	C(C[6a]C[6a]2)(CC[6a]S)(SCo)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(SCo)	124.5436	1.194	20	124.5436	1.426	20	124.8060	1.472	149	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(SFe)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(SFe)	C(C[6a]C[6a]2)(CC[6a]S)(SFe)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(SFe)	124.5884	0.786	20	124.5884	0.618	20	124.8060	1.472	149	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(SMo)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(SMo)	C(C[6a]C[6a]2)(CC[6a]S)(SMo)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(SMo)	125.7683	1.101	24	125.7683	1.212	24	124.8060	1.472	149	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(SNi)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(SNi)	C(C[6a]C[6a]2)(CC[6a]S)(SNi)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(SNi)	125.0859	1.513	12	125.0859	2.290	12	124.8060	1.472	149	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(SPd)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(SPd)	C(C[6a]C[6a]2)(CC[6a]S)(SPd)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(SPd)	124.1828	1.068	12	124.1828	1.140	12	124.8060	1.472	149	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(SPt)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(SPt)	C(C[6a]C[6a]2)(CC[6a]S)(SPt)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(SPt)	124.4436	1.010	16	124.4436	1.020	16	124.8060	1.472	149	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(SRe)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(SRe)	C(C[6a]C[6a]2)(CC[6a]S)(SRe)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(SRe)	125.1320	1.280	6	125.1320	1.639	6	124.8060	1.472	149	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(SRu)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(SRu)	C(C[6a]C[6a]2)(CC[6a]S)(SRu)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(SRu)	125.1128	0.893	6	125.1128	0.797	6	124.8060	1.472	149	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(SSn)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(SSn)	C(C[6a]C[6a]2)(CC[6a]S)(SSn)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(SSn)	122.7473	0.618	4	122.7473	0.382	4	124.8060	1.472	149	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(SV)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(SV)	C(C[6a]C[6a]2)(CC[6a]S)(SV)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(SV)	123.7110	1.456	3	123.7110	2.119	3	124.8060	1.472	149	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(SW)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(SW)	C(C[6a]C[6a]2)(CC[6a]S)(SW)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(SW)	125.3908	0.758	17	125.3908	0.575	17	124.8060	1.472	149	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Se-2:	C(C[6a]C[6a]2)(CC[6a]Se)(SeC[6a])	C[6a](C[6a]C[6a]H)2(CSeC)	C(C[6a]C[6a]2)(CC[6a]Se)(SeC[6a])	C(C[6a]C[6a]2)(CC[6a]Se)(SeC[6a])	C[6a](C[6a]C[6a]H)2(CSeC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]Se)(SeC[6a])	126.0680	0.000	1	126.0680	0.000	1	126.0680	0.000	1	123.4024	9.133	260	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C-3:C[6a]-3:Ge-2:	C[6a]-3:C[6a]-3:C-3:	B[5a]-3:C[6a]-3:C-3:	C(CB[5a]C[6a])(C[6a]C[6a]2)(GeN)	C[6a](C[6a]C[6a]H)2(CGeC)	C(B[5a]N[5a]2)(C[6a]C[6a]2)(CC[6a]Ge)	C(CB[5a]C[6a])(C[6a]C[6a]2)(GeN)	C[6a](C[6a]C[6a]H)2(CGeC){1|C<3>,2|H<1>}	C(B[5a]N[5a]2)(C[6a]C[6a]2)(CC[6a]Ge)	122.7770	0.000	1	122.7770	0.000	1	122.7770	0.000	1	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[6a]-3:C-3:	C(CC[6a]N[5a])(C[6a]C[6a]2)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]S)	C(CC[6a]N[5a])(C[6a]C[6a]2)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]S)	124.1090	0.000	1	124.1090	0.000	1	124.1090	0.000	1	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CHN)(COO)	C(C[6a]C[6a]2)(CCC)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CHN)(COO)	117.5160	0.000	1	117.5160	0.000	1	117.5160	0.000	1	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(CCN)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)2(NCH)	C(C[6a]C[6a]2)(CCN)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)2(NCH)	124.8000	0.000	1	124.8000	0.000	1	124.8000	0.000	1	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:N-3:	C(C[6a]C[6a]2)(CNN)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NCH)2	C(C[6a]C[6a]2)(CNN)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NCH)2	124.7860	0.000	1	124.7860	0.000	1	124.7860	0.000	1	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CRu)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CRu)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	121.7520	0.000	1	121.7520	0.000	1	121.7520	0.000	1	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]C)	127.3514	1.471	12	127.3514	2.164	12	127.3514	2.164	12	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]2)(CC[6a]N)(CCO)	C(C[6a]C[6a]2)(CCC)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]N)(CCO)	116.1730	0.000	1	116.1730	0.000	1	116.1730	0.000	1	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6,6]C)(NH)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6,6]C[3x6]2)(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6,6]C)(NH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6,6]C[3x6]2)(CC[6a]N)(CC[6a]O)	120.6750	0.000	1	120.6750	0.000	1	120.6750	0.000	1	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(NC)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(CC[6]H)	C(C[6a]C[6a]2)(CC[6a]C)(NC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(CC[6]H)	125.6070	0.000	1	125.6070	0.000	1	123.4275	9.500	2	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(CCH)	121.2480	0.000	1	121.2480	0.000	1	123.4275	9.500	2	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(NPdN)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(NPdN)	118.9520	0.134	2	118.9520	0.018	2	118.9520	0.018	2	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[5a]O)(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CCC)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[5a]O)(CC[6a]C)(CC[6a]O)	125.8040	1.686	2	125.8040	2.842	2	126.4382	2.596	4	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]C)(CC[6a]O)2	C(C[6a]C[6a]2)(CCC)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]O)2	125.7810	0.000	1	125.7810	0.000	1	126.4382	2.596	4	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(OIr)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CIrC)(COO)	C(C[6a]C[6a]2)(CCC)(OIr)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CIrC)(COO)	128.3640	0.000	1	128.3640	0.000	1	126.4382	2.596	4	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(CCN)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(COO)(NCH)	126.5280	0.000	1	126.5280	0.000	1	126.7285	0.080	2	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(CCN)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CNO)(NCC)	C(C[6a]C[6a]2)(CCN)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CNO)(NCC)	126.9290	0.000	1	126.9290	0.000	1	126.7285	0.080	2	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[5a]C)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5a]C[5a]2)(CC[6a]O)(CNO)	C(C[6a]C[6a]2)(CC[5a]C)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5a]C[5a]2)(CC[6a]O)(CNO)	125.0600	0.000	1	125.0600	0.000	1	125.0600	0.000	1	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CCS)	C(C[6a]C[6a]2)(CC[6a]C)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(CCS)	124.6020	0.000	1	124.6020	0.000	1	126.6480	2.525	8	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(CNO)	126.8135	0.315	2	126.8135	0.099	2	126.6480	2.525	8	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(COO)	125.5620	0.000	1	125.5620	0.000	1	126.6480	2.525	8	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(OC[6a])	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(OC[6a])	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	130.0830	0.000	1	130.0830	0.000	1	126.6480	2.525	8	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)2	C(C[6a]C[6a]2)(CC[6a]C)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)2	126.5340	0.000	1	126.5340	0.000	1	126.6480	2.525	8	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(COS)	C(C[6a]C[6a]2)(CC[6a]C)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(COS)	126.7110	0.000	1	126.7110	0.000	1	126.6480	2.525	8	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]N[6a])(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]O)(COO)	126.0650	0.000	1	126.0650	0.000	1	126.6480	2.525	8	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(ONi)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(NNiO)	C(C[6a]C[6a]2)(CC[6a]N)(ONi)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(NNiO)	122.4866	1.075	8	122.4866	1.155	8	122.4866	1.155	8	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C[5])(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)	128.4550	0.000	1	128.4550	0.000	1	128.4550	0.000	1	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)2(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]O)	128.7620	0.000	1	128.7620	0.000	1	127.4110	9.078	3	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(OC[6a])	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]2)(OC[6a])	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	123.9590	0.000	1	123.9590	0.000	1	127.4110	9.078	3	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(OP[6])	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]2)(OP[6])	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]O)	129.5120	0.000	1	129.5120	0.000	1	127.4110	9.078	3	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[5a]C)(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(CN[5a]C)(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(CNS)	123.3720	0.707	2	123.3720	0.500	2	123.3720	0.500	2	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[6]C)(OOs)	C[6a](C[6a]C[6a]H)2(CCO)	C(N[6]C[6]2)(CC[6a]O)(COsH)	C(C[6a]C[6a]2)(CN[6]C)(OOs)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(N[6]C[6]2)(CC[6a]O)(COsH)	127.9525	0.653	2	127.9525	0.426	2	127.9525	0.426	2	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]N[6])(OH)	C[6a](C[6a]C[6a]H)2(CCO)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]N[6])(OH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]O)	125.2680	0.759	2	125.2680	0.577	2	125.2680	0.577	2	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-3:	C(C[6a]C[6a]2)(CC[6a]S)(SCo)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(SCo2)	C(C[6a]C[6a]2)(CC[6a]S)(SCo)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(SCo2)	125.1023	0.838	3	125.1023	0.703	3	124.4213	0.722	15	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-3:	C(C[6a]C[6a]2)(CC[6a]S)(SFe)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(SFe2)	C(C[6a]C[6a]2)(CC[6a]S)(SFe)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(SFe2)	124.4378	0.604	5	124.4378	0.365	5	124.4213	0.722	15	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-3:	C(C[6a]C[6a]2)(CC[6a]S)(SMo)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(SMoNi)	C(C[6a]C[6a]2)(CC[6a]S)(SMo)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(SMoNi)	124.2680	0.923	6	124.2680	0.852	6	124.4213	0.722	15	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-3:	C(C[6a]C[6a]2)(CC[6a]S)(SW)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(SCW)	C(C[6a]C[6a]2)(CC[6a]S)(SW)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(SCW)	123.2160	0.000	1	123.2160	0.000	1	124.4213	0.722	15	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(SC[6a])	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)2(CC[6a]S)	C(C[6a]C[6a]2)(CC[6a]2)(SC[6a])	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]S)	125.0340	0.328	2	125.0340	0.108	2	125.0340	0.108	2	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]N[5])(SC)	C[6a](C[6a]C[6a]H)2(CCS)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]S)	C(C[6a]C[6a]2)(CC[6a]N[5])(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]S)	123.9050	0.000	1	123.9050	0.000	1	123.9050	0.000	1	124.8944	7.493	75	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:C-4:	C(C[6a]C[6a]2)(CCN)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(NCuO)(CH3)	C(C[6a]C[6a]2)(CCN)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NCuO)(CH3)	118.4470	0.000	1	118.4470	0.000	1	118.4470	0.000	1	128.0389	9.158	33	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:Si-4:	C(C[6a]C[6a]2)(CC[5]Si)(OH)	C[6a](C[6a]C[6a]Cl)2(CCO)	C(C[5]C[5,6a]C[5])(CC[6a]O)(SiC3)	C(C[6a]C[6a]2)(CC[5]Si)(OH)	C[6a](C[6a]C[6a]Cl)2(CCO){1|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(CC[6a]O)(SiC3)	127.2880	0.000	1	127.2880	0.000	1	127.2880	0.000	1	128.0389	9.158	33	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	129.1943	0.979	3	129.1943	0.958	3	129.5040	1.012	25	128.0389	9.158	33	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(OP)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)(OP)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	126.9460	0.000	1	126.9460	0.000	1	129.5040	1.012	25	128.0389	9.158	33	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(OS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)(OS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	130.8790	0.000	1	130.8790	0.000	1	129.5040	1.012	25	128.0389	9.158	33	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(OS)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)(OS)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	129.7010	0.727	2	129.7536	0.535	18	129.5040	1.012	25	128.0389	9.158	33	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(OS)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)(OS)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	129.7602	0.755	16	129.7536	0.535	18	129.5040	1.012	25	128.0389	9.158	33	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(OS)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CC[6a]C)(OS)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]O)(CH3)	128.8610	0.000	1	128.8610	0.000	1	129.5040	1.012	25	128.0389	9.158	33	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(OS)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)(OS)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	127.7650	0.000	1	127.7650	0.000	1	129.5040	1.012	25	128.0389	9.158	33	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:C-4:	C(C[6a]C[6a]2)(CN[5]C)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO)	C(N[5]C[5]2)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CN[5]C)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CC[6a]O)(CH3)	122.6910	0.000	1	122.6910	0.000	1	122.5995	0.017	2	128.0389	9.158	33	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:C-4:	C(C[6a]C[6a]2)(CN[5]C)(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	C(N[5]C[5]N[5])(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CN[5]C)(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(N[5]C[5]N[5])(CC[6a]O)(CH3)	122.5080	0.000	1	122.5080	0.000	1	122.5995	0.017	2	128.0389	9.158	33	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CN[5a]C)(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO)	C(N[5a]C[5a]N[5a])(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CN[5a]C)(OC)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(CC[6a]O)(CH3)	123.0970	0.000	1	123.0970	0.000	1	123.0970	0.000	1	128.0389	9.158	33	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(SC[6a])	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)(SC[6a])	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(CCHH)	125.5250	0.000	1	125.5250	0.000	1	124.5513	1.216	3	128.0389	9.158	33	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:3:4:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(SC[6a])	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(CHHO)	C(C[6a]C[6a]2)(CC[6a]C)(SC[6a])	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(CHHO)	124.0645	1.005	2	124.0645	1.010	2	124.5513	1.216	3	128.0389	9.158	33	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCHH)(H)	123.2473	0.521	4	123.2473	0.272	4	123.2473	0.272	4	125.4203	12.675	18	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:I-1:	C(C[6a]C[6a]2)(CCI)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CH3)(I)	C(C[6a]C[6a]2)(CCI)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCC){1|H<1>,2|C<3>}	C(CC[6a]C)(CH3)(I)	128.4350	0.000	1	128.4350	0.000	1	128.4350	0.000	1	125.4203	12.675	18	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-1:	C(C[6a]C[6a]2)(CCO)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CH3)(O)	C(C[6a]C[6a]2)(CCO)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]C)(CH3)(O)	120.0720	0.000	1	120.0720	0.000	1	121.9100	6.756	2	125.4203	12.675	18	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-1:	C(C[6a]C[6a]2)(CCO)(CRu)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CH3)(O)	C(C[6a]C[6a]2)(CCO)(CRu)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CH3)(O)	123.7480	0.000	1	123.7480	0.000	1	121.9100	6.756	2	125.4203	12.675	18	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCHH)(H)	124.1780	0.000	1	124.1780	0.000	1	124.1780	0.000	1	125.4203	12.675	18	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-1:	C(C[6a]C[6a]2)(CCO)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCHH)(O)	C(C[6a]C[6a]2)(CCO)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCHH)(O)	117.8630	0.000	1	117.8630	0.000	1	117.8630	0.000	1	125.4203	12.675	18	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:Cl-1:	C(C[6a]C[6a]2)(CClC)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCHH)(Cl)	C(C[6a]C[6a]2)(CClC)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]O)(CCHH)(Cl)	127.5935	0.620	2	127.5935	0.385	2	127.5935	0.385	2	125.4203	12.675	18	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:F-1:	C(C[6a]C[6a]2)(CCF)(OS)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CH3)(F)	C(C[6a]C[6a]2)(CCF)(OS)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CH3)(F)	127.3200	0.000	1	127.3200	0.000	1	127.3200	0.000	1	125.4203	12.675	18	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CF3)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CF3)(H)	130.4890	0.660	2	130.4890	0.436	2	128.9600	4.995	4	125.4203	12.675	18	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CCO)	C(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CH3)(H)	125.8190	0.000	1	125.8190	0.000	1	128.9600	4.995	4	125.4203	12.675	18	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(OP)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CH3)(H)	C(C[6a]C[6a]2)(CCH)(OP)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CH3)(H)	129.0430	0.000	1	129.0430	0.000	1	128.9600	4.995	4	125.4203	12.675	18	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:I-1:	C(C[6a]C[6a]2)(CCI)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCHH)(I)	C(C[6a]C[6a]2)(CCI)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCHH)(I)	128.9240	0.000	1	128.9240	0.000	1	128.9240	0.000	1	125.4203	12.675	18	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:H-1:	C(C[6a]C[6a]2)(CHP)(ONi)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(PNiCC)(H)	C(C[6a]C[6a]2)(CHP)(ONi)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(PNiCC)(H)	123.0090	0.000	1	123.0090	0.000	1	123.0090	0.000	1	125.4203	12.675	18	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:4:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CH3)(OH)	C(C[6a]C[6a]2)(CCO)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]C)(CH3)(OH)	128.8670	0.099	2	128.8670	0.010	2	128.8670	0.010	2	125.5521	21.253	9	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:4:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-2:	C(C[6a]C[6a]2)(CCN)(NN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CH3)(NO)	C(C[6a]C[6a]2)(CCN)(NN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CH3)(NO)	119.7057	0.667	3	119.7057	0.445	3	119.7057	0.445	3	125.5521	21.253	9	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:4:2:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)(ONi)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CH3)(ONi)	C(C[6a]C[6a]2)(CCO)(ONi)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CH3)(ONi)	129.8970	0.000	1	129.8970	0.000	1	129.8970	0.000	1	125.5521	21.253	9	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:4:2:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:S-2:	C(C[6a]C[6a]2)(CCS)(SMo)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(CC3)(SMo)	C(C[6a]C[6a]2)(CCS)(SMo)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(CC3)(SMo)	129.1240	0.000	1	129.1240	0.000	1	127.7403	5.682	3	125.5521	21.253	9	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:4:2:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:S-2:	C(C[6a]C[6a]2)(CCS)(SNi)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCS)	C(CC[6a]S)(CCHH)(SNi)	C(C[6a]C[6a]2)(CCS)(SNi)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCS){1|H<1>,2|C<3>}	C(CC[6a]S)(CCHH)(SNi)	124.9880	0.000	1	124.9880	0.000	1	127.7403	5.682	3	125.5521	21.253	9	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:4:2:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:S-2:	C(C[6a]C[6a]2)(CCS)(SW)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(CC3)(SW)	C(C[6a]C[6a]2)(CCS)(SW)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(CC3)(SW)	129.1090	0.000	1	129.1090	0.000	1	127.7403	5.682	3	125.5521	21.253	9	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:4:3:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]C)	127.4320	0.000	1	127.4320	0.000	1	127.4320	0.000	1	128.4198	1.882	6	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:4:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(OIr)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CIrCH)(COO)	C(C[6a]C[6a]2)(CCC)(OIr)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CIrCH)(COO)	126.5300	0.000	1	126.5300	0.000	1	126.5300	0.000	1	128.4198	1.882	6	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:4:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(OS)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(CC[3]HH)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(OS)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[3]HH)(CC[6a]O)	129.5245	0.713	2	129.5245	0.509	2	129.5245	0.509	2	128.4198	1.882	6	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:4:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-3:	C(C[6a]C[6a]2)(CC[6a]S)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]S)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	129.6730	0.000	1	129.6730	0.000	1	129.6730	0.000	1	128.4198	1.882	6	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	3:4:3:	C[6a]-3:C-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-3:	C(C[6a]C[6a]2)(CC[6a]S)(SeC[6a])	C[6a](C[6a]C[6a]H)2(CSeC)	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]Se)	C(C[6a]C[6a]2)(CC[6a]S)(SeC[6a])	C[6a](C[6a]C[6a]H)2(CSeC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]Se)	127.8350	0.000	1	127.8350	0.000	1	127.8350	0.000	1	128.4198	1.882	6	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5]C[5]2Fe)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(CC[6a]C)(H)	125.1170	0.000	1	124.8220	0.174	2	124.8220	0.174	2	123.4159	4.766	27	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5]C[5]2Fe)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|N<2>,2|H<1>}	C(C[5]C[5]2Fe)(CC[6a]C)(H)	124.5270	0.000	1	124.8220	0.174	2	124.8220	0.174	2	123.4159	4.766	27	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NS)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]HH)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]HH)(CC[6a]N)(H)	125.6290	0.000	1	125.6290	0.000	1	125.6290	0.000	1	123.4159	4.766	27	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OB)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]P[5]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OB)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]P[5]H)(CC[6a]O)(H)	118.4110	0.000	1	118.4110	0.000	1	121.6997	5.718	6	123.4159	4.766	27	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OFe)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]2H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OFe)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]2H)(CC[6a]O)(H)	121.3325	0.962	2	121.3325	0.926	2	121.6997	5.718	6	123.4159	4.766	27	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]CH)(CC[6a]O)(H)	120.4920	0.000	1	120.4920	0.000	1	121.6997	5.718	6	123.4159	4.766	27	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OP)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]CH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OP)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]CH)(CC[6a]O)(H)	125.1640	0.000	1	125.1640	0.000	1	121.6997	5.718	6	123.4159	4.766	27	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(OSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(CC[6a]HH)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(OSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(CC[6a]HH)(CC[6a]O)(H)	123.4660	0.000	1	123.4660	0.000	1	121.6997	5.718	6	123.4159	4.766	27	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[4]H)(OC)	C[6a](C[6a]C[6a]O)2(CCO)	C(C[4]C[4,6]C[4]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[4]H)(OC)	C[6a](C[6a]C[6a]O)2(CCO){1|C<3>,2|H<1>}	C(C[4]C[4,6]C[4]H)(CC[6a]O)(H)	123.0370	0.000	1	123.0370	0.000	1	123.0370	0.000	1	123.4159	4.766	27	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]C[5]O[5]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(CC[6a]O)(H)	126.8940	0.000	1	126.8940	0.000	1	124.5310	11.168	2	123.4159	4.766	27	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(OTi)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]C[5]2C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[5]H)(OTi)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]C[5]2C)(CC[6a]O)(H)	122.1680	0.000	1	122.1680	0.000	1	124.5310	11.168	2	123.4159	4.766	27	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(CHP)(OMo)	C[6a](C[6a]C[6a]H)2(CCO)	C(PC[6a]2Mo)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(OMo)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(PC[6a]2Mo)(CC[6a]O)(H)	123.6180	0.000	1	123.6180	0.000	1	123.5888	4.917	11	123.4159	4.766	27	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(CHP)(ONi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(PC[6a]2Ni)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(ONi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(PC[6a]2Ni)(CC[6a]O)(H)	125.5000	0.000	1	125.5000	0.000	1	123.5888	4.917	11	123.4159	4.766	27	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(CHP)(ONi)	C[6a](C[6a]C[6a]H)2(CCO)	C(PC[6a]2Ni)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(ONi)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(PC[6a]2Ni)(CC[6a]O)(H)	124.0060	0.591	4	124.0060	0.349	4	123.5888	4.917	11	123.4159	4.766	27	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(CHP)(OP)	C[6a](C[6a]C[6a]H)2(CCO)	C(PC[6a]2Pd)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(OP)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(PC[6a]2Pd)(CC[6a]O)(H)	126.1465	1.261	2	126.1465	1.590	2	123.5888	4.917	11	123.4159	4.766	27	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(CHP)(ORh)	C[6a](C[6a]C[6a]H)2(CCO)	C(PC[6a]2Rh)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(ORh)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(PC[6a]2Rh)(CC[6a]O)(H)	121.4420	0.499	2	121.4420	0.249	2	123.5888	4.917	11	123.4159	4.766	27	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(CHP)(OZn)	C[6a](C[6a]C[6a]H)2(CCO)	C(PC[6a]2N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(OZn)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(PC[6a]2N)(CC[6a]O)(H)	119.1580	0.000	1	119.1580	0.000	1	123.5888	4.917	11	123.4159	4.766	27	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(CHS)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHS)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(SC[6a]OO)(CC[6a]O)(H)	124.1940	0.000	1	124.1940	0.000	1	124.1940	0.000	1	123.4159	4.766	27	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(CHP)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	C(PC[6a]CO)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CHP)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(PC[6a]CO)(CC[6a]S)(H)	122.7935	0.033	2	122.7935	0.001	2	122.7935	0.001	2	123.4159	4.766	27	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:1:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(CHS)(SC)	C[6a](C[6a]C[6a]H)2(CCS)	C(SC[6a]OO)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CHS)(SC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(SC[6a]OO)(CC[6a]S)(H)	125.4010	0.000	1	125.4010	0.000	1	125.4010	0.000	1	123.4159	4.766	27	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:C-2:	C(C[6a]C[6a]2)(CCP)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(PC[6a]2O)(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CCP)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(PC[6a]2O)(CC[6a]C)(CC)	121.2250	0.000	1	121.2250	0.000	1	121.2250	0.000	1	121.2250	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:3:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(COs)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]HH)(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CCC)(COs)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]HH)(CC[6a]C)(CCH)	126.0950	0.000	1	126.0950	0.000	1	126.0950	0.000	1	124.9269	12.238	7	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:3:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:N-3:	C(C[6a]C[6a]2)(CCN)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]HH)(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CCN)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]HH)(CC[6a]C)(NHH)	122.7180	0.000	1	122.7180	0.000	1	122.7180	0.000	1	124.9269	12.238	7	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:3:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-3:	C(C[6a]C[6a]2)(CC[5]C)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5]C[5]O[5]H)(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[5]C)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(CC[6a]C)(CCH)	119.2570	0.000	1	119.2570	0.000	1	119.2570	0.000	1	124.9269	12.238	7	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]HH)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CCC)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]HH)(CC[6a]O)(COO)	125.3710	0.000	1	125.3710	0.000	1	125.3710	0.000	1	124.9269	12.238	7	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-3:	C(C[6a]C[6a]2)(CC[5]C)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[5]N[5]O[5]H)(CC[6a]O)2	C(C[6a]C[6a]2)(CC[5]C)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[5]N[5]O[5]H)(CC[6a]O)2	128.9155	0.303	2	128.9155	0.092	2	127.0157	10.874	3	124.9269	12.238	7	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-3:	C(C[6a]C[6a]2)(CC[5]C)(OSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[5]C[5]N[5]H)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CC[5]C)(OSi)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(CC[6a]O)(COO)	123.2160	0.000	1	123.2160	0.000	1	127.0157	10.874	3	124.9269	12.238	7	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:4:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:C-4:	C(C[6a]C[6a]2)(CCS)(CC)	C[6a](C[6a]C[6a]H)2(CCC)	C(SC[6a]OO)(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CCS)(CC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(SC[6a]OO)(CC[6a]C)(CCHH)	123.5888	1.672	4	123.5888	2.796	4	123.5888	2.796	4	125.7209	9.277	7	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:4:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	P[5]-4:C-3:S-4:	C(C[6a]C[6a]2)(CP[5]S)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN)	C(P[5]C[5,6a]C[6a]O[5])(CC[6a]N)(SCOO)	C(C[6a]C[6a]2)(CP[5]S)(NC[6a])	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(P[5]C[5,6a]C[6a]O[5])(CC[6a]N)(SCOO)	129.4590	0.191	2	129.4590	0.036	2	129.4590	0.036	2	125.7209	9.277	7	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:3:4:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:C-4:	C(C[6a]C[6a]2)(CCS)(OC)	C[6a](C[6a]C[6a]H)2(CCO)	C(SC[6a]OO)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CCS)(OC)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(SC[6a]OO)(CC[6a]O)(CH3)	126.7730	0.000	1	126.7730	0.000	1	126.7730	0.000	1	125.7209	9.277	7	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	P-4:P-4:C-3:	C(C[6a]C[6a]2)(CPP)(CN)	C[6a](C[6a]C[6a]H)2(CCC)	C(PC[6a]2Mn)2(CC[6a]C)	C(C[6a]C[6a]2)(CPP)(CN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(PC[6a]2Mn)2(CC[6a]C)	132.2440	0.000	1	132.2440	0.000	1	132.2440	0.000	1	132.2440	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:2:	3:3:3:	5:3:1:	C-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[3x3,4,3x5,14x6]-5:C-3:H-1:	C(CC[3x3,4,3x5,14x6]H)(C[6a]C[6a]2)(ON[6])	C[6a](C[6a]C[6a]H)2(CCO)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC[6a]O)(H)	C(CC[3x3,4,3x5,14x6]H)(C[6a]C[6a]2)(ON[6])	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC[6a]O)(H)	130.5490	0.000	1	130.5490	0.000	1	130.5490	0.000	1	130.5490	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	2:2:3:	3:3:3:	C[6a]-3:C-3:N-3:	N[6a]-2:N[6a]-2:C-3:	C-3:N-3:N-3:	C(C[6a]N[6a]2)(CNN)(NOO)	C[6a](N[6a]C[6a])2(CCN)	C(CC[6a]N)(NHH)2	C(C[6a]N[6a]2)(CNN)(NOO)	C[6a](N[6a]C[6a])2(CCN){1|H<1>,1|N<2>,1|N<3>}	C(CC[6a]N)(NHH)2	121.6250	0.000	1	121.6250	0.000	1	121.6250	0.000	1	121.0430	0.677	2	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	2:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	N[6a]-2:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6a]N[6a]2)(CC[6a]2)	C[6a](N[6a]C[6a])2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(CC[6a]2)	C[6a](N[6a]C[6a])2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]2)	120.4610	0.000	1	120.4610	0.000	1	120.4610	0.000	1	121.0430	0.677	2	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	2:3:3:	3:1:1:	C[6a]-3:C-3:C-3:	N[6a]-2:C[6a]-3:C-3:	C-3:H-1:O-1:	C(C[6a]C[6a]N[6a])(CHN)(CHO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]N[6a])(CHN)(CHO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCC){1|Cl<1>,2|C<3>}	C(CC[6a]C)(H)(O)	118.4850	0.000	1	118.4850	0.000	1	118.4850	0.000	1	117.8990	0.687	2	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	2:3:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-2:N[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[6a]N[6a]2)(CHH)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CC[6a]C)	C(CC[6a]2)(H)2	C(C[6a]C[6a]2)(C[6a]N[6a]2)(CHH)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CC[6a]C){1|O<1>,2|C<3>}	C(CC[6a]2)(H)2	117.3130	0.000	1	117.3130	0.000	1	117.3130	0.000	1	117.8990	0.687	2	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	2:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-2:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(COO)	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CC[6a]C)	C(CC[6a]2)(OC)(O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(COO)	C[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CC[6a]C){2|C<3>}	C(CC[6a]2)(OC)(O)	118.3290	0.000	1	118.3290	0.000	1	118.3290	0.000	1	118.3290	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	2:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	N[6a]-2:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(CHN)(CHO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(NCC)(H)	C(C[6a]C[6a]N[6a])(CHN)(CHO)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCC){1|Cl<1>,2|C<3>}	C(CC[6a]C)(NCC)(H)	126.7210	0.000	1	126.7210	0.000	1	126.7210	0.000	1	121.0673	49.957	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	2:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]N[6a])(CC[6a]2)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]N[6a])(CC[6a]2)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]C)(O)	113.1430	0.000	1	113.1430	0.000	1	113.1430	0.000	1	121.0673	49.957	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	2:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	123.3380	0.000	1	123.3380	0.000	1	123.3380	0.000	1	121.0673	49.957	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	2:3:3:	3:3:2:	C[6a]-3:C[6a]-3:C-3:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(OP[6])	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]2)(OP[6])	120.2390	0.000	1	120.2390	0.000	1	120.2390	0.000	1	120.2390	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	2:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	N[6a]-2:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(CC[6a]2)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]2)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CCC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)2(CC[6a]C)	123.9920	0.000	1	123.9920	0.000	1	123.9920	0.000	1	123.9920	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]N[6a])(CC[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]N[6a])(CC[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(O)	112.3060	0.000	1	112.3060	0.000	1	112.3060	0.000	1	119.4915	103.263	2	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:N[6a]-2:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]B[5])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(CC[6a]N)(NC[6a]B)(H)	C(C[6a]C[6a]N[6a])(NC[6a]B[5])(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|H<1>,2|C<3>}	C(CC[6a]N)(NC[6a]B)(H)	126.6770	0.000	1	126.6770	0.000	1	126.6770	0.000	1	119.4915	103.263	2	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:2:3:	3:3:2:	C[6a]-3:C-3:Se-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:Se-2:	C(C[6a]C[6a]N[6a])(CC[6a]Se)(SeCo2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeC)	C(C[6a]C[6a]N[6a])(CC[6a]Se)(SeCo)	C(C[6a]C[6a]N[6a])(CC[6a]Se)(SeCo2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSeC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]Se)(SeCo)	125.1070	0.000	1	125.1070	0.000	1	125.1070	0.000	1	125.1070	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]N[6a])(CC[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C(C[6a]C[6a]N[6a])(CC[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(COO)	128.6010	0.000	1	128.6010	0.000	1	128.6010	0.000	1	121.8089	4.928	16	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]N[6a])(CC[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(C[6a]C[6a]N[6a])(CC[6a]N)(NC[5a]H)	C(C[6a]C[6a]N[6a])(CC[6a]N)(NC[5a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]N)(NC[5a]H)	125.0080	0.000	1	125.0080	0.000	1	125.0080	0.000	1	121.8089	4.928	16	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]C)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	120.8483	0.907	6	120.8483	0.823	6	120.8483	0.823	6	121.8089	4.928	16	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)2(CC[6a]2)	121.2645	1.884	2	121.2645	3.551	2	121.2804	0.810	8	121.8089	4.928	16	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	121.2857	0.651	6	121.2857	0.424	6	121.2804	0.810	8	121.8089	4.928	16	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:2:3:	3:4:3:	C[6a]-3:N-3:C-3:	C[6a]-3:N[6a]-2:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]N[6a])(NC[5a]C[6a])(CCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN)	C(CC[6a]N)(CCHH)(COO)	C(C[6a]C[6a]N[6a])(NC[5a]C[6a])(CCC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCHH)(COO)	122.7330	0.000	1	122.7330	0.000	1	122.7330	0.000	1	122.7330	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:2:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-2:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]N[6a])2(CC[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C)	C(C[5]C[5]2Fe)(CC[6a]2)(H)	C(C[6a]C[6a]N[6a])2(CC[5]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(CC[6a]2)(H)	121.1555	0.175	2	121.1555	0.031	2	121.1555	0.031	2	121.1555	0.031	2	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(H)2	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(H)2	123.1260	0.533	2	123.1260	0.284	2	123.1260	0.284	2	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-1:O-1:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(O)2	C(C[5]C[5]O[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(O)2	116.2465	0.674	2	116.2465	0.454	2	116.2465	0.454	2	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(H)2	C(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(H)2	119.9520	0.000	1	119.9520	0.000	1	121.8162	1.398	15	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(H)2	121.5050	0.000	2	121.0237	0.695	3	121.8162	1.398	15	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(H)2	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5a]C){2|Cl<1>,1|C<3>}	C(CC[5a]C[6a])(H)2	120.0610	0.000	1	121.0237	0.695	3	121.8162	1.398	15	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(H)2	122.1155	0.787	4	122.1155	0.620	4	121.8162	1.398	15	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(H)2	122.2511	1.244	7	122.2511	1.546	7	121.8162	1.398	15	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCC){2|H<1>,3|C<3>}	C(CC[6a]C)(H)2	121.5580	0.000	1	121.5580	0.000	1	121.5580	0.000	1	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCC)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCC)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	122.1645	0.561	2	122.1645	0.314	2	122.1709	1.852	15	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCH)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCH)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	121.4847	1.294	3	121.4847	1.674	3	122.1709	1.852	15	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCP)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCP)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	118.8660	0.000	1	118.8660	0.000	1	122.1709	1.852	15	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[5]C)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[5]C)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	124.2160	0.000	1	124.2160	0.000	1	122.1709	1.852	15	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6a]C)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	121.7875	0.067	2	121.7875	0.005	2	122.1709	1.852	15	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHH)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	122.8560	0.000	1	122.8560	0.000	1	122.1709	1.852	15	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHH)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	122.7060	0.859	4	122.7060	0.739	4	122.1709	1.852	15	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(COO)	C[6a](C[6a]C[6a]2)2(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHH)(COO)	C[6a](C[6a]C[6a]2)2(CCC){2|H<1>,5|C<3>}	C(CC[6a]C)(H)2	123.4440	0.000	1	123.4440	0.000	1	122.1709	1.852	15	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:I-1:	C(C[6a]C[6a]2)(CC[6a]C)(CHI)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)(I)	C(C[6a]C[6a]2)(CC[6a]C)(CHI)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)(I)	122.6560	3.506	2	122.6560	12.291	2	122.6560	12.291	2	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(CHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CCC)	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CCC){4|C<3>}	C(CC[6a]C)(H)(O)	118.1370	0.000	1	118.1370	0.000	1	119.0246	4.973	13	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(CHO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CHO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)(O)	117.3158	0.888	5	117.3158	0.788	5	119.0246	4.973	13	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:O-1:	C(C[6a]C[6a]2)(CC[6a]N)(CHO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]2)(CC[6a]N)(CHO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)(O)	117.3050	0.979	2	117.3050	0.958	2	119.0246	4.973	13	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:O-1:	C(C[6a]C[6a]2)(CHN)(CHO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]2)(CHN)(CHO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)(O)	121.2603	0.217	3	121.2603	0.047	3	119.0246	4.973	13	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:O-1:	C(C[6a]C[6a]2)(CHO)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]2)(CHO)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)(O)	122.1065	0.422	2	122.1065	0.178	2	119.0246	4.973	13	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(CHH)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCN)	C(CC[6a]N)(H)2	C(C[6a]C[6a,6a]C[6a])(CHH)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCN){2|H<1>,3|C<3>}	C(CC[6a]N)(H)2	121.3770	0.000	1	121.3770	0.000	1	121.3770	0.000	1	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:F-1:H-1:	C(C[6a]C[6a]2)(CFH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(F)(H)	C(C[6a]C[6a]2)(CFH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(F)(H)	122.1660	0.431	2	122.1660	0.186	2	122.1660	0.186	2	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(CC[6a]N)(H)2	C(C[6a]C[6a]2)(CHH)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Br<1>,1|C<3>,1|H<1>}	C(CC[6a]N)(H)2	125.2780	0.000	1	125.2780	0.000	1	125.2780	0.000	1	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:S-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(SCO)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(H)2	C(C[6a]C[6a]2)(CHH)(SCO)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(H)2	125.8975	0.477	4	125.8975	0.228	4	125.8975	0.228	4	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(H)2	C(C[6a]C[6a]2)(C[5]C[5]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(H)2	119.8030	0.000	1	119.8030	0.000	1	119.8030	0.000	1	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CC[6a]C)	C(CC[6a]2)(H)2	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CC[6a]C){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(CC[6a]2)(H)2	120.3210	0.000	1	120.3210	0.000	1	120.3210	0.000	1	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:Br-1:Br-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CBr2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(Br)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CBr2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C){1|H<1>,4|C<3>}	C(CC[6a]2)(Br)2	123.2240	0.000	1	123.2240	0.000	1	123.2240	0.000	1	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Br-1:Br-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CBr2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(Br)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CBr2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(Br)2	123.0690	0.000	1	123.0690	0.000	1	123.0690	0.000	1	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(H)2	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(H)2	123.2530	0.000	1	123.2530	0.000	1	121.0148	2.370	42	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[6a]N[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(H)2	C(C[6a]C[6a]2)(C[6a]N[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(H)2	125.0630	0.000	1	125.0630	0.000	1	121.0148	2.370	42	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CC[6a]C)	C(CC[6a]2)(H)2	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]2)(H)2	118.4140	0.000	1	118.4140	0.000	1	121.0148	2.370	42	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(H)2	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]C){1|H<1>,2|C<3>}	C(CC[6a]2)(H)2	121.3710	0.000	1	121.3710	0.000	1	121.0148	2.370	42	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(H)2	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(H)2	120.9703	0.989	3	120.9703	0.978	3	121.0148	2.370	42	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a]C)2(CC[6a]C)	C(CC[6a]2)(H)2	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a]C)2(CC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]2)(H)2	119.5370	0.000	1	120.0387	0.213	3	121.0148	2.370	42	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a]C)2(CC[6a]C)	C(CC[6a]2)(H)2	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a]C)2(CC[6a]C){1|C<3>,2|C<4>}	C(CC[6a]2)(H)2	120.4450	0.000	1	120.0387	0.213	3	121.0148	2.370	42	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a]C)2(CC[6a]C)	C(CC[6a]2)(H)2	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a]C)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(H)2	120.1340	0.000	1	120.0387	0.213	3	121.0148	2.370	42	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]C)	C(CC[6a]2)(H)2	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(H)2	119.7000	0.422	4	119.7000	0.178	4	121.0148	2.370	42	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	C(CC[6a]2)(H)2	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(H)2	119.1750	0.000	1	119.1750	0.000	1	121.0148	2.370	42	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	C(CC[6a]2)(H)2	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<4>,2|C<3>}	C(CC[6a]2)(H)2	120.7680	1.446	10	120.7680	2.091	10	121.0148	2.370	42	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(H)2	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]2)(H)2	120.3180	0.000	1	121.7413	1.566	15	121.0148	2.370	42	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(H)2	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(H)2	121.8938	1.268	13	121.7413	1.566	15	121.0148	2.370	42	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(H)2	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|O<2>}	C(CC[6a]2)(H)2	121.1830	0.000	1	121.7413	1.566	15	121.0148	2.370	42	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CC[6a]C)	C(CC[6a]2)(H)2	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CC[6a]C){1|C<3>,2|C<4>,2|H<1>}	C(CC[6a]2)(H)2	120.5140	0.000	1	120.5140	0.000	1	121.0148	2.370	42	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(CC[6a]C)	C(CC[6a]2)(H)2	C(C[6a]C[6a]2)2(CHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(CC[6a]C){1|H<1>,3|C<3>}	C(CC[6a]2)(H)2	119.2060	0.000	1	119.2060	0.000	1	121.0148	2.370	42	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:I-1:	C(C[6a]C[6a]2)2(CHI)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(H)(I)	C(C[6a]C[6a]2)2(CHI)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]2)(H)(I)	119.8160	0.000	1	119.8160	0.000	1	121.8525	8.295	2	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:I-1:	C(C[6a]C[6a]2)2(CHI)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(H)(I)	C(C[6a]C[6a]2)2(CHI)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(H)(I)	123.8890	0.000	1	123.8890	0.000	1	121.8525	8.295	2	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Br-1:H-1:	C(C[6a]C[6a]2)(NC[6a]C)(CBrH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(Br)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CBrH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(Br)(H)	121.9940	0.000	1	121.9940	0.000	1	121.9940	0.000	1	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(CHH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[5a]H)(CHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(H)2	115.3610	0.000	1	115.3610	0.000	1	120.3515	9.784	8	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a]C)(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	C(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a]C)(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]N)(H)2	121.2740	0.000	1	121.2740	0.000	1	120.3515	9.784	8	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a]C)(CHH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a]C)(CHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(H)2	122.7957	0.912	4	122.7957	0.831	4	120.3515	9.784	8	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a]Mg)(CHH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a]Mg)(CHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(H)2	117.6500	0.000	1	117.6500	0.000	1	120.3515	9.784	8	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NNaC)(CHH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NNaC)(CHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(H)2	117.3440	0.000	1	117.3440	0.000	1	120.3515	9.784	8	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Br-1:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(CBrH)	C[6a](C[6a]C[6a]H)2(CN[5]C)	C(CC[6a]N[5])(Br)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CBrH)	C[6a](C[6a]C[6a]H)2(CN[5]C){1|C<3>,2|H<1>}	C(CC[6a]N[5])(Br)(H)	121.5185	0.039	2	121.5185	0.002	2	121.5185	0.002	2	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(CHH)	C[6a](C[6a]C[6a]H)2(CN[5]C)	C(CC[6a]N[5])(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CHH)	C[6a](C[6a]C[6a]H)2(CN[5]C){1|C<3>,2|H<1>}	C(CC[6a]N[5])(H)2	122.7100	0.000	1	122.7100	0.000	1	122.7100	0.000	1	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N[5a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:I-1:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CHI)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	C(CC[6a]N[5a])(H)(I)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CHI)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	C(CC[6a]N[5a])(H)(I)	128.2320	0.000	1	128.2320	0.000	1	128.2320	0.000	1	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N[6]-3:C-3:	C[5,6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[5,6a]C[6a])(N[6]C[6]2)(CHH)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(CN[6]C)	C(CC[6a]N[6])(H)2	C(C[6a]C[5,6a]C[6a])(N[6]C[6]2)(CHH)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(CN[6]C){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C(CC[6a]N[6])(H)2	123.7130	0.000	1	123.7130	0.000	1	123.7130	0.000	1	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:O-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(OLiB)(CHH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(OLiB)(CHH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(H)2	123.4220	0.000	1	123.4220	0.000	1	122.9780	0.394	2	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:O-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(OZn2)(CHH)	C[6a](C[6a]C[6a]C)2(CCO)	C(CC[6a]O)(H)2	C(C[6a]C[6a]2)(OZn2)(CHH)	C[6a](C[6a]C[6a]C)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(H)2	122.5340	0.000	1	122.5340	0.000	1	122.9780	0.394	2	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	N[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CN[5]C)	C(CC[6a]N[5])(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CN[5]C){1|C<3>,2|H<1>}	C(CC[6a]N[5])(H)2	123.1145	0.312	2	123.1145	0.097	2	123.1145	0.097	2	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Br-1:I-1:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CBrI)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	C(CC[6a]N[5a])(Br)(I)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CBrI)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	C(CC[6a]N[5a])(Br)(I)	126.0680	0.000	1	126.0680	0.000	1	126.0680	0.000	1	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	C(CC[6a]N[5a])(H)2	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	C(CC[6a]N[5a])(H)2	126.5090	0.000	1	126.5090	0.000	1	126.5090	0.000	1	121.4867	5.400	126	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(OC)(O)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(OC)(O)	114.5957	2.690	4	114.5957	7.233	4	115.5433	5.020	7	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(OH)(O)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(OH)(O)	116.9640	0.000	1	116.9640	0.000	1	115.5433	5.020	7	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(OH)(O)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(OH)(O)	116.7280	0.066	2	116.7280	0.004	2	115.5433	5.020	7	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(OC)(O)	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(OC)(O)	115.5150	0.000	1	115.5150	0.000	1	115.5150	0.000	1	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(CC[6a]C[6])(OH)(O)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C(CC[6a]C[6])(OH)(O)	112.5225	0.424	2	112.5225	0.179	2	112.5225	0.179	2	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:B[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:H-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CHS)	C[6a](C[6a]C[6a]H)2(CB[5]C)	C(CC[6a]B[5])(SC)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CHS)	C[6a](C[6a]C[6a]H)2(CB[5]C){1|C<3>,2|H<1>}	C(CC[6a]B[5])(SC)(H)	122.3380	0.000	1	122.3380	0.000	1	122.3380	0.000	1	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[5,6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[5,6a]C[6a])(CCO)(COO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[5,6a]C[6a])(CCO)(COO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	123.2740	0.604	2	123.2740	0.365	2	118.6610	17.840	5	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[5,6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCC){1|N<3>,2|H<1>,3|C<3>}	C(CC[6a]C)(OC)(O)	115.7790	0.000	1	115.7790	0.000	1	118.6610	17.840	5	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[5,6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CCC){1|N<3>,2|H<1>,3|C<3>}	C(CC[6a]C)(OC)(O)	115.4290	0.000	1	115.4290	0.000	1	118.6610	17.840	5	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[5,6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(CCC){1|N<3>,2|H<1>,3|C<3>}	C(CC[6a]C)(OC)(O)	115.5490	0.000	1	115.5490	0.000	1	118.6610	17.840	5	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[5a,6a]C[6a])(CCO)(COO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[5a,6a]C[6a])(CCO)(COO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(CC[6a]C)(OC)(O)	120.5980	0.000	1	120.5980	0.000	1	120.5980	0.000	1	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(COO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(COO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCC){2|H<1>,3|C<3>}	C(CC[6a]C)(OC)(O)	114.2760	0.000	1	114.2760	0.000	1	115.2776	4.914	7	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCC)	C(CC[6a]C)(OH)(O)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCC){2|H<1>,5|C<3>}	C(CC[6a]C)(OH)(O)	116.8530	0.873	2	116.8530	0.761	2	115.2776	4.914	7	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCC){2|H<1>,3|C<3>}	C(CC[6a]C)(OC)(O)	117.0485	0.105	2	117.0485	0.011	2	115.2776	4.914	7	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a,6a]C[6a])(CIrC)(COO)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a,6a]C[6a])(CIrC)(COO)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(CCC){1|H<1>,1|N<3>,3|C<3>}	C(CC[6a]C)(OC)(O)	112.8030	0.000	1	112.8030	0.000	1	115.2776	4.914	7	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a,6a]C[6a])(CRhC)(COO)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a,6a]C[6a])(CRhC)(COO)	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(CCC){1|H<1>,1|N<3>,3|C<3>}	C(CC[6a]C)(OC)(O)	112.0610	0.000	1	112.0610	0.000	1	115.2776	4.914	7	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CN)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CN)(H)	120.2593	0.454	3	120.2593	0.206	3	120.9843	2.239	4	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(CCH)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC)(H)	C(C[6a]C[6a]2)(CCH)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC)(H)	123.1590	0.000	1	123.1590	0.000	1	120.9843	2.239	4	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:O-1:	C(C[6a]C[6a]2)(CCO)(CHN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC)(O)	C(C[6a]C[6a]2)(CCO)(CHN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC)(O)	122.6680	0.000	1	122.6680	0.000	1	122.6680	0.000	1	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(CCH)(CHN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NN)(H)	C(C[6a]C[6a]2)(CCH)(CHN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NN)(H)	117.7820	0.000	1	117.7820	0.000	1	119.2228	1.637	5	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(CHN)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NC[6a])(H)	C(C[6a]C[6a]2)(CHN)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a])(H)	119.9890	0.994	3	119.9890	0.988	3	119.2228	1.637	5	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(CHN)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NN)(H)	C(C[6a]C[6a]2)(CHN)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NN)(H)	118.3650	0.000	1	118.3650	0.000	1	119.2228	1.637	5	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(CC[5a]O)(CHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(CC[6a]C)(OH)(H)	C(C[6a]C[6a]2)(CC[5a]O)(CHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OH)(H)	117.4565	0.687	2	117.4565	0.471	2	120.9667	8.521	12	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(CHO)(CNN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OC)(H)	C(C[6a]C[6a]2)(CHO)(CNN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(H)	125.2170	0.000	1	125.2170	0.000	1	120.9667	8.521	12	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(CHO)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(OC)(H)	C(C[6a]C[6a]2)(CHO)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(H)	123.0260	2.288	2	123.0260	5.236	2	120.9667	8.521	12	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(CHO)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(CC[6a]C)(OC)(H)	C(C[6a]C[6a]2)(CHO)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(H)	122.3710	0.000	1	122.3710	0.000	1	120.9667	8.521	12	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(CHO)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OC)(H)	C(C[6a]C[6a]2)(CHO)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]C)(OC)(H)	123.9100	0.000	1	123.9100	0.000	1	120.9667	8.521	12	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(CHO)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OC[6a])(H)	C(C[6a]C[6a]2)(CHO)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC[6a])(H)	119.8274	2.220	5	119.8274	4.926	5	120.9667	8.521	12	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CCC)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CCC)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	113.6450	0.000	1	113.6450	0.000	1	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CCC)(COO)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CCC)(COO)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	114.4920	0.000	2	114.4920	0.000	2	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]S)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]S)(CCC){1|Si<4>,1|C<3>,1|H<1>}	C(CC[6a]C)(OC)(O)	119.5740	0.000	1	119.5740	0.000	1	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(CC[6a]C)(OH)(O)	C(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OH)(O)	115.7045	0.547	2	115.7045	0.299	2	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	117.9725	2.256	4	117.9725	5.088	4	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCC){1|C<3>,1|C<4>}	C(CC[6a]C)(OC)(O)	115.4830	0.000	1	115.4830	0.000	1	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CCN)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CCN)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	117.4400	0.000	1	117.4400	0.000	1	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[3,5]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CC[3,5]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	115.8260	0.000	1	115.8260	0.000	1	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[5a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CC[5a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	115.3550	0.000	1	115.3550	0.000	1	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[5a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OH)(O)	C(C[6a]C[6a]2)(CC[5a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OH)(O)	116.0650	0.447	2	116.0650	0.200	2	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[5a]N)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CC[5a]N)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	118.1890	0.000	1	118.1890	0.000	1	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6]C)(COO)	C[6a](C[6a]C[6a]C)2(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CC[6]C)(COO)	C[6a](C[6a]C[6a]C)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	114.6030	0.000	1	114.6030	0.000	1	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CC[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|C<4>}	C(CC[6a]C)(OC)(O)	114.0210	0.000	1	114.2353	1.070	3	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CC[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	114.3425	1.439	2	114.2353	1.070	3	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC){1|Br<1>,1|C<3>,1|H<1>}	C(CC[6a]C)(OC)(O)	117.8860	0.000	1	117.8860	0.000	1	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	114.9421	4.023	9	114.9421	16.186	9	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OH)(O)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OH)(O)	115.3180	0.000	1	115.3180	0.000	1	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(CC[6a]C)(OH)(O)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OH)(O)	114.7090	0.000	1	114.7090	0.000	1	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	115.1343	0.798	3	115.1343	0.636	3	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OH)(O)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]C)(OH)(O)	114.2330	0.000	1	116.3595	2.059	14	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OH)(O)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OH)(O)	116.4737	1.473	11	116.3595	2.059	14	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OH)(O)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|O<2>}	C(CC[6a]C)(OH)(O)	116.7945	0.115	2	116.3595	2.059	14	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CCC){1|C<3>,2|C<4>,2|H<1>}	C(CC[6a]C)(OC)(O)	117.3380	0.000	1	117.3380	0.000	1	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]Ir)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CC[6a]Ir)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCC){1|N<3>,2|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	112.4790	0.000	1	112.4790	0.000	1	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CC[6a]O)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	115.9860	0.000	1	115.9860	0.000	1	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]Pd)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CC[6a]Pd)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	115.3420	1.844	3	115.3420	3.399	3	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CHH)(COO)	C[6a](C[6a]C[6a]2)2(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CHH)(COO)	C[6a](C[6a]C[6a]2)2(CCC){2|H<1>,5|C<3>}	C(CC[6a]C)(OC)(O)	118.8330	0.000	1	118.8330	0.000	1	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CHN)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CHN)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	118.9563	0.407	6	118.9563	0.166	6	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CHN)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CHN)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	118.7991	2.934	7	118.7991	8.607	7	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CHO)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CHO)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	117.2875	0.827	2	117.2875	0.683	2	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CHO)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CHO)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	120.7370	0.000	1	120.7370	0.000	1	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CHO)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CHO)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]C)(OC)(O)	116.6860	0.000	1	121.2013	5.511	6	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CHO)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CHO)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	122.1044	0.879	5	121.2013	5.511	6	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CHS)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OH)(O)	C(C[6a]C[6a]2)(CHS)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OH)(O)	120.4500	0.000	1	120.4500	0.000	1	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CIrC)(COO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CIrC)(COO)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a,6a]H)(CCC){3|C<3>}	C(CC[6a]C)(OC)(O)	113.7415	0.371	2	113.7415	0.138	2	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CIrC)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CIrC)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	115.4567	2.570	10	115.4567	6.604	10	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CIrC)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CIrC)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCC){1|N<3>,2|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	114.4210	0.000	1	114.4210	0.000	1	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CIrC)(COO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CIrC)(COO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCC){1|N<3>,2|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	113.3610	0.000	1	113.3610	0.000	1	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(COO)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(COO)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	122.4408	2.651	28	122.4408	7.027	28	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CPdC)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CPdC)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	116.6700	0.000	1	116.6700	0.000	1	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CPdC)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CPdC)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]C)(OC)(O)	120.3710	0.000	1	115.4966	7.627	5	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CPdC)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CPdC)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	114.2780	0.519	4	115.4966	7.627	5	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CRhC)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CRhC)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	112.1110	1.532	2	112.1110	2.346	2	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CRhC)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CRhC)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CCC){1|N<3>,2|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	114.2810	0.000	1	114.2810	0.000	1	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CRhC)(COO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CRhC)(COO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCC){1|N<3>,2|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	112.8690	0.000	1	112.8615	0.000	2	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CRhC)(COO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CRhC)(COO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCC){2|H<1>,3|C<3>}	C(CC[6a]C)(OC)(O)	112.8540	0.000	1	112.8615	0.000	2	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CRuC)(COO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CRuC)(COO)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CCC){1|N<3>,2|C<3>,2|H<1>}	C(CC[6a]C)(OC)(O)	116.4660	0.000	1	116.4660	0.000	1	117.6571	13.775	134	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:H-1:	C(C[6a]C[6a]2)(CCC)(CHS)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(SC)(H)	C(C[6a]C[6a]2)(CCC)(CHS)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(SC)(H)	120.2610	0.000	1	120.2610	0.000	1	119.8840	0.284	2	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:H-1:	C(C[6a]C[6a]2)(CHS)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(SC[6a])(H)	C(C[6a]C[6a]2)(CHS)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(SC[6a])(H)	119.5070	0.000	1	119.5070	0.000	1	119.8840	0.284	2	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(COS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(SC)(O)	C(C[6a]C[6a]2)(CC[6a]O)(COS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,1|H<1>,1|S<2>}	C(CC[6a]C)(SC)(O)	117.8450	0.000	1	117.8450	0.000	1	117.8450	0.000	1	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:N[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]N[6a])(CC[6a]O)(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]N[6a])(CC[6a]O)(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCC){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C(CC[6a]C)(OC)(O)	117.6090	0.000	1	117.6090	0.000	1	117.6090	0.000	1	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	N[5a,6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]N[5a,6a]C[6a])(CHN)(COO)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(OC)(O)	C(C[6a]N[5a,6a]C[6a])(CHN)(COO)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCC){1|C<3>,1|C<4>,2|N<2>}	C(CC[6a]C)(OC)(O)	116.5320	0.000	1	116.5320	0.000	1	116.5320	0.000	1	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CC)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CC)(H)	123.7485	0.022	2	123.7485	0.000	2	123.7485	0.000	2	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:H-1:	C(C[6a]C[6a]2)(CHS)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(SC)(H)	C(C[6a]C[6a]2)(CHS)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(SC)(H)	124.8140	0.000	1	124.8140	0.000	1	124.8140	0.000	1	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]C)	C(CC[6a]C[5])(OC)(O)	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(OC)(O)	116.5800	0.000	1	116.5800	0.000	1	117.6600	5.065	3	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(OC)(O)	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(OC)(O)	120.2470	0.000	1	120.2470	0.000	1	117.6600	5.065	3	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(OH)(O)	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(OH)(O)	116.1530	0.000	1	116.1530	0.000	1	117.6600	5.065	3	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a,6a]C[6a])(C[6]S[6]2)(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]C)	C(CC[6a]C[6])(OC)(O)	C(C[6a]C[6a,6a]C[6a])(C[6]S[6]2)(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]C){1|H<1>,1|N<2>,3|C<3>}	C(CC[6a]C[6])(OC)(O)	120.0670	0.000	1	120.0670	0.000	1	120.0670	0.000	1	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(COO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]C)	C(CC[6a]C[6])(OC)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(COO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]C){1|H<1>,2|C<3>}	C(CC[6a]C[6])(OC)(O)	114.7150	0.000	1	114.7150	0.000	1	114.7150	0.000	1	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(CC)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(CC[6a]2)(CC)(H)	118.8260	0.000	1	118.8260	0.000	1	118.8260	0.000	1	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(OC)(O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C){1|H<1>,1|O<2>,3|C<3>}	C(CC[6a]2)(OC)(O)	118.0340	0.000	1	118.0340	0.000	1	118.0340	0.000	1	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:Cl-1:	C(C[6a]C[6a]2)2(CClC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CC)(Cl)	C(C[6a]C[6a]2)2(CClC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC)(Cl)	122.4770	1.450	2	122.4770	2.101	2	122.4770	2.101	2	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CC)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC)(H)	124.7480	0.000	1	124.7480	0.000	1	120.9548	2.343	33	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(COs)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(COs)(H)	120.2220	3.186	2	120.2220	10.152	2	120.9548	2.343	33	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]Cl)2(CC[6a]C)	C(CC[6a]2)(COs)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]Cl)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(COs)(H)	120.3255	0.715	2	120.3255	0.511	2	120.9548	2.343	33	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CC)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC)(H)	120.9901	1.463	12	120.9901	2.141	12	120.9548	2.343	33	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CMo)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CMo)(H)	121.1300	0.675	2	121.1300	0.455	2	120.9548	2.343	33	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CN)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]2)(CN)(H)	120.7010	0.000	1	120.1890	0.524	2	120.9548	2.343	33	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CN)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|C<4>}	C(CC[6a]2)(CN)(H)	119.6770	0.000	1	120.1890	0.524	2	120.9548	2.343	33	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(COs)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(COs)(H)	120.5597	0.967	4	120.5597	0.936	4	120.9548	2.343	33	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CRe)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CRe)(H)	121.2085	1.962	4	121.2085	3.850	4	120.9548	2.343	33	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CRu)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CRu)(H)	120.9480	2.316	2	120.9480	5.366	2	120.9548	2.343	33	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CW)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CW)(H)	121.0880	1.276	2	121.0880	1.627	2	120.9548	2.343	33	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)2(CHN)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(NS)(H)	C(C[6a]C[6a]2)2(CHN)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(NS)(H)	121.1885	3.205	2	121.1885	10.274	2	121.1885	10.274	2	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:H-1:	C(C[6a]C[6a]2)2(CHO)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(OC)(H)	C(C[6a]C[6a]2)2(CHO)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(OC)(H)	120.6875	2.908	2	120.6875	8.458	2	120.6875	8.458	2	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(NC[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CC)(H)	C(C[6a]C[6a]2)(NC[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CC)(H)	122.1680	0.000	1	122.1680	0.000	1	121.7618	2.860	5	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CC)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CC)(H)	121.6603	1.935	4	121.6603	3.744	4	121.7618	2.860	5	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(NC[6a]O)(COO)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(OC)(O)	C(C[6a]C[6a]2)(NC[6a]O)(COO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(OC)(O)	118.2345	0.927	2	118.2345	0.859	2	118.0152	0.370	4	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(NNiC)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	C(CC[6a]N)(OC)(O)	C(C[6a]C[6a]2)(NNiC)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(OC)(O)	117.7960	0.242	2	117.7960	0.058	2	118.0152	0.370	4	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:N[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	C[6a](C[6a]C[6a]H)2(CN[6]C)	C(CC[6a]N[6])(NS)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	C[6a](C[6a]C[6a]H)2(CN[6]C){1|C<3>,2|H<1>}	C(CC[6a]N[6])(NS)(H)	126.0190	0.000	1	126.0190	0.000	1	126.0190	0.000	1	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:H-1:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHS)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	C(CC[6a]N[5a])(SC)(H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHS)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	C(CC[6a]N[5a])(SC)(H)	123.4215	0.794	2	123.4215	0.631	2	124.3148	0.904	5	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:H-1:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHS)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	C(CC[6a]N[5a])(SC[6])(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHS)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	C(CC[6a]N[5a])(SC[6])(H)	125.2240	0.000	1	125.2240	0.000	1	124.3148	0.904	5	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:H-1:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHS)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	C(CC[6a]N[5a])(SC[6a])(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHS)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	C(CC[6a]N[5a])(SC[6a])(H)	124.7535	0.422	2	124.7535	0.178	2	124.3148	0.904	5	118.6758	13.261	249	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[5a,6a]C[6a])(CC[5]C)(CCC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[5a,6a]C[6a])(CC[5]C)(CCC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C(CC[6a]C)(CN)2	121.7360	0.000	1	121.7360	0.000	1	121.7360	0.000	1	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a,6a]C[6a])(CCC)(CCN)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a,6a]C[6a])(CCC)(CCN)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCC){2|H<1>,3|C<3>}	C(CC[6a]C)(CN)2	123.9805	0.059	2	123.9805	0.003	2	123.9805	0.003	2	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CB[3x6]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CB[3x6]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CN)2	127.8480	0.000	1	127.8480	0.000	1	121.6585	11.229	46	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCC){1|H<1>,2|C<3>}	C(CC[6a]C)(CN)2	119.9210	1.056	7	119.9210	1.115	7	121.6585	11.229	46	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCC){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]C)(CN)2	119.6830	0.000	1	119.6830	0.000	1	121.6585	11.229	46	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CN)2	121.6596	3.163	7	121.6596	10.003	7	121.6585	11.229	46	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCC)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CN)2	122.8757	4.134	4	122.8757	17.092	4	121.6585	11.229	46	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CC[5]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC[5]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CN)2	123.6080	0.000	1	123.6080	0.000	1	121.6585	11.229	46	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CC[5]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC[5]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CN)2	121.2915	8.090	2	121.2915	65.448	2	121.6585	11.229	46	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CC[6]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC[6]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CN)2	116.6590	0.000	1	116.6590	0.000	1	121.6585	11.229	46	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)(CCC){5|C<3>}	C(CC[6a]C)(CN)2	118.9725	2.821	2	118.9725	7.956	2	121.6585	11.229	46	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(CCC){5|C<3>}	C(CC[6a]C)(CN)2	120.8490	0.593	4	120.8490	0.352	4	121.6585	11.229	46	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CN)2	124.0445	3.243	11	124.0445	10.517	11	121.6585	11.229	46	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CRuC)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CRuC)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CN)2	119.5030	1.271	5	119.5030	1.615	5	121.6585	11.229	46	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:S-2:	C(C[6a]C[6a]2)(CCU)(CNS)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NC[6a])(SU)	C(C[6a]C[6a]2)(CCU)(CNS)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a])(SU)	125.1410	0.000	1	125.1410	0.000	1	125.1410	0.000	1	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-2:	C(C[6a]C[6a]2)(COO)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OFe)(OC)	C(C[6a]C[6a]2)(COO)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OFe)(OC)	120.1455	0.627	4	120.1455	0.393	4	120.3163	0.506	6	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-2:	C(C[6a]C[6a]2)(COO)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(ONi)(OC)	C(C[6a]C[6a]2)(COO)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(ONi)(OC)	120.6580	1.000	2	120.6580	1.000	2	120.3163	0.506	6	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:S-2:	C(C[6a]C[6a]2)(CC[6a]O)(CSS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(SC)2	C(C[6a]C[6a]2)(CC[6a]O)(CSS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]C)(SC)2	124.3120	0.000	1	124.3120	0.000	1	125.8100	1.784	3	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:S-2:	C(C[6a]C[6a]2)(CC[6a]O)(CSS)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(SC)2	C(C[6a]C[6a]2)(CC[6a]O)(CSS)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(SC)2	126.5590	0.450	2	126.5590	0.202	2	125.8100	1.784	3	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CN)2	C(C[6a]C[6a]2)(CCC)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CN)2	116.3680	1.984	2	116.3680	3.937	2	116.3680	3.937	2	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Se-2:Se-2:	C(C[6a]C[6a]2)(CSe2)(NSS)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(SeC[6a])2	C(C[6a]C[6a]2)(CSe2)(NSS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(SeC[6a])2	124.2960	0.000	1	124.2960	0.000	1	124.2960	0.000	1	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CC)2	C(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC)2	121.6428	0.457	6	121.6428	0.209	6	120.9923	0.856	21	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CN)2	C(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CN)2	120.7578	1.010	13	120.7321	0.895	15	120.9923	0.856	21	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CN)2	C(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|H<1>,2|C<3>}	C(CC[6a]2)(CN)2	120.5655	0.469	2	120.7321	0.895	15	120.9923	0.856	21	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:O-2:	C(C[6a]C[6a]2)(NC[6a]O)(CNO)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(NS)(OC)	C(C[6a]C[6a]2)(NC[6a]O)(CNO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NS)(OC)	118.8132	0.829	5	118.8132	0.687	5	118.8132	0.687	5	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	C(CC[6a]N[5a])(CN)2	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	C(CC[6a]N[5a])(CN)2	123.5620	1.814	2	123.5620	3.292	2	123.5620	3.292	2	121.4391	8.310	90	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:C-3:	C(C[6a]C[6a]2)(CCS)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(SC[6a])(COO)	C(C[6a]C[6a]2)(CCS)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(SC[6a])(COO)	122.1155	1.150	2	122.1155	1.324	2	122.1155	1.324	2	120.6618	3.688	5	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(CCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCN)	C(CC[6a]N)(NC[6a])(CPdN)	C(C[6a]C[6a]2)(NC[6a]Pd)(CCN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NC[6a])(CPdN)	119.6927	1.787	3	119.6927	3.192	3	119.6927	3.192	3	120.6618	3.688	5	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:2:4:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:C-4:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(OC[6a])(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(OC[6a])(CH3)	121.0140	0.000	1	121.0140	0.000	1	121.0140	0.000	1	121.0140	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	B[5a]-3:C-3:H-1:	C(B[5a]O[5a]2)(C[6a]C[6a]2)(CB[5a]H)	C[6a](C[6a]C[6a]H)2(CB[5a]C)	C(B[5a]O[5a]2)(CB[5a]C[6a])(H)	C(B[5a]O[5a]2)(C[6a]C[6a]2)(CB[5a]H)	C[6a](C[6a]C[6a]H)2(CB[5a]C){1|C<3>,2|H<1>}	C(B[5a]O[5a]2)(CB[5a]C[6a])(H)	123.4500	0.000	1	123.4500	0.000	1	123.4500	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	B[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(B[5a]O[5a]2)(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(CB[5a]C)	C(CB[5a]C[6a])(NC[6a]C)(H)	C(B[5a]O[5a]2)(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(CB[5a]C){1|C<3>,2|H<1>}	C(CB[5a]C[6a])(NC[6a]C)(H)	125.1495	0.218	2	125.1495	0.048	2	125.1495	0.048	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	B[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6a]-3:H-1:	C(B[6a]N[6a]2)(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CB[6a]C)	C(CB[6a]C[6a])(C[6a]C[6a]2)(H)	C(B[6a]N[6a]2)(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CB[6a]C){1|C<3>,2|H<1>}	C(CB[6a]C[6a])(C[6a]C[6a]2)(H)	117.2770	0.000	1	117.2770	0.000	1	117.2770	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(CC[5a]C[6a])(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NCO)(O)	C(CC[5a]C[6a])(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NCO)(O)	115.2010	0.000	1	115.2010	0.000	1	115.2010	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(CCH)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CCH)(H)	116.6150	0.000	1	116.6150	0.000	1	118.2613	2.252	6	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(CC[6a]H)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CC[6a]H)(H)	118.2925	1.441	4	118.2925	2.076	4	118.2613	2.252	6	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(CC[6a]H)(H)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CC[6a]H)(H)	119.7830	0.000	1	119.7830	0.000	1	118.2613	2.252	6	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(NHS)(O)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(NHS)(O)	112.0870	0.000	1	112.0870	0.000	1	112.0870	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:S-1:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(NC[6a]H)(S)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(NC[6a]H)(S)	119.0400	0.583	2	119.0400	0.339	2	119.0400	0.339	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	123.1260	0.000	1	123.1260	0.000	1	122.9150	5.844	3	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)2(CC[5]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)2(CC[5]C){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	120.3990	0.000	1	120.3990	0.000	1	122.9150	5.844	3	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	125.2200	0.000	1	125.2200	0.000	1	122.9150	5.844	3	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	113.0990	0.000	1	114.1710	2.416	6	116.2993	17.323	8	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	114.3854	1.636	5	114.1710	2.416	6	116.2993	17.323	8	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CC[5]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CC[5]C){1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	122.6840	0.689	2	122.6840	0.474	2	116.2993	17.323	8	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(CC[6a]2)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CC[6a]2)(H)	116.3990	0.000	1	116.3990	0.000	1	120.5372	5.672	12	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(CC[6a]C)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CC[6a]C)(H)	122.0460	0.000	1	122.0460	0.000	1	120.5372	5.672	12	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(CC[6a]N)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CC[6a]N)(H)	120.1805	0.008	2	120.1805	0.000	2	120.5372	5.672	12	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(CCO)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CCO)(H)	118.3850	0.000	1	118.3850	0.000	1	120.5372	5.672	12	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(COO)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(COO)(H)	120.3320	0.000	1	120.3320	0.000	1	120.5372	5.672	12	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(CCH)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CCH)(H)	122.9660	1.147	2	122.9660	1.315	2	120.5372	5.672	12	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(CC[3]O)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CC[3]O)(H)	117.0460	0.000	1	117.0460	0.000	1	120.5372	5.672	12	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(CC[6a]O)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CC[6a]O)(H)	120.3920	0.000	1	120.3920	0.000	1	120.5372	5.672	12	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(COO)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(COO)(H)	121.6130	0.000	1	121.6130	0.000	1	120.5372	5.672	12	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(CN[6]O)(H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,1|H<1>,1|O<2>}	C(CC[5a]C[6a])(CN[6]O)(H)	123.9400	0.000	1	123.9400	0.000	1	120.5372	5.672	12	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6]-3:H-1:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(C[6]C[6]2)(H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6]H)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(C[6]C[6]2)(H)	124.3080	0.000	1	124.3080	0.000	1	124.3080	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6a]-3:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	121.6450	1.085	7	121.6450	1.177	7	121.8205	2.801	13	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6a]-3:H-1:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	119.8830	0.000	1	119.8830	0.000	1	121.8205	2.801	13	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6a]-3:H-1:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	120.0820	0.098	2	120.0820	0.010	2	121.8205	2.801	13	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6a]-3:H-1:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	124.3330	0.000	1	124.3330	0.000	1	121.8205	2.801	13	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6a]-3:H-1:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	122.9680	0.000	1	122.9680	0.000	1	121.8205	2.801	13	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6a]-3:H-1:	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(C[6a]C[6a]2)(H)	124.8040	0.000	1	124.8040	0.000	1	121.8205	2.801	13	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(NCS)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(NCS)(H)	116.2560	2.373	2	116.2560	5.631	2	117.7982	5.051	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(NNiC)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(NNiC)(H)	119.3405	0.090	2	119.3405	0.008	2	117.7982	5.051	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(C[5a]C[5a]N[5a])(CC[5a]C[6a])(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(CC[5a]C[6a])(H)	119.0270	0.000	1	119.0270	0.000	1	120.1385	6.109	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(C[5a]C[5a]O[5a])(CC[5a]C[6a])(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CC[5a]C[6a])(H)	118.8430	0.158	2	118.8430	0.025	2	120.1385	6.109	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(C[5a]C[5a,6a]C[5a])(CC[5a]C[6a])(H)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|O<2>}	C(C[5a]C[5a,6a]C[5a])(CC[5a]C[6a])(H)	123.8410	0.000	1	123.8410	0.000	1	120.1385	6.109	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(CC[6a]C[6])(CCH)(H)	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C(CC[6a]C[6])(CCH)(H)	119.0310	0.000	1	119.0310	0.000	1	119.0310	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(CC[6a]C[6])(NCC)(H)	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C(CC[6a]C[6])(NCC)(H)	121.5910	0.000	1	121.5910	0.000	1	121.5910	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	B[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(BC[6a]2)(CB[5]H)	C[6a](C[6a]C[6a]H)2(CBC)	C(B[5]O[5]2)(CC[6a]B)(H)	C(C[6a]C[6a]2)(BC[6a]2)(CB[5]H)	C[6a](C[6a]C[6a]H)2(CBC){1|Br<1>,1|C<3>,1|H<1>}	C(B[5]O[5]2)(CC[6a]B)(H)	119.9310	0.000	1	118.9297	0.478	4	118.9297	0.478	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	B[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(BC[6a]2)(CB[5]H)	C[6a](C[6a]C[6a]H)2(CBC)	C(B[5]O[5]2)(CC[6a]B)(H)	C(C[6a]C[6a]2)(BC[6a]2)(CB[5]H)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	C(B[5]O[5]2)(CC[6a]B)(H)	118.5960	0.221	3	118.9297	0.478	4	118.9297	0.478	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:B[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:B-3:H-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CBH)	C[6a](C[6a]C[6a]H)2(CB[5]C)	C(CC[6a]B[5])(BC[6a]2)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CBH)	C[6a](C[6a]C[6a]H)2(CB[5]C){1|Br<1>,1|C<3>,1|H<1>}	C(CC[6a]B[5])(BC[6a]2)(H)	122.6190	0.000	1	122.2450	1.773	6	122.2450	1.773	6	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:B[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:B-3:H-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CBH)	C[6a](C[6a]C[6a]H)2(CB[5]C)	C(CC[6a]B[5])(BC[6a]2)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CBH)	C[6a](C[6a]C[6a]H)2(CB[5]C){1|C<3>,2|H<1>}	C(CC[6a]B[5])(BC[6a]2)(H)	122.1702	1.474	5	122.2450	1.773	6	122.2450	1.773	6	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:B[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCH)	C[6a](C[6a]C[6a]H)2(CB[5]C)	C(CC[6a]B[5])(COO)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCH)	C[6a](C[6a]C[6a]H)2(CB[5]C){1|C<3>,2|H<1>}	C(CC[6a]B[5])(COO)(H)	121.7420	0.000	1	121.7420	0.000	1	121.7420	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:B[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Br-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]Br)	C[6a](C[6a]C[6a]H)2(CB[5]C)	C(C[6a]C[6a]2)(CC[6a]B[5])(Br)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]Br)	C[6a](C[6a]C[6a]H)2(CB[5]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]B[5])(Br)	122.4500	0.000	1	122.4500	0.000	1	122.4500	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:B[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CB[5]C)	C(C[6a]C[6a]2)(CC[6a]B[5])(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CB[5]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]B[5])(H)	122.6635	0.482	2	122.6635	0.232	2	123.5622	0.757	5	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:B[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CB[5]C)	C(C[6a]C[6a]2)(CC[6a]B[5])(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CB[5]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]B[5])(H)	124.1613	0.226	3	124.1613	0.051	3	123.5622	0.757	5	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:B-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Br-1:	C(C[6a]C[6a]2)(CC[6a]Br)(BBr2)	C[6a](C[6a]C[6a]H)2(CBC)	C(C[6a]C[6a]2)(CC[6a]B)(Br)	C(C[6a]C[6a]2)(CC[6a]Br)(BBr2)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]B)(Br)	123.3510	0.000	1	123.3510	0.000	1	123.3510	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[5,6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:H-1:	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCC)	C(N[5]C[5]2)(CC[6a]C)(H)	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCC){1|N<3>,2|H<1>,3|C<3>}	C(N[5]C[5]2)(CC[6a]C)(H)	123.5590	0.000	1	123.5590	0.000	1	123.6040	0.053	3	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[5,6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:H-1:	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CCC)	C(N[5]C[5]2)(CC[6a]C)(H)	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CCC){1|N<3>,2|H<1>,3|C<3>}	C(N[5]C[5]2)(CC[6a]C)(H)	123.3990	0.000	1	123.3990	0.000	1	123.6040	0.053	3	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[5,6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:H-1:	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(CCC)	C(N[5]C[5]2)(CC[6a]C)(H)	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(CCC){1|N<3>,2|H<1>,3|C<3>}	C(N[5]C[5]2)(CC[6a]C)(H)	123.8540	0.000	1	123.8540	0.000	1	123.6040	0.053	3	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6,6a]-3:C[6a]-3:C-3:	N-3:C-3:H-1:	C(C[6a]C[6,6a]C[6a])(CHN)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CCC)	C(NC[6a]Cu)(CC[6a]C)(H)	C(C[6a]C[6,6a]C[6a])(CHN)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CCC){2|C<3>,2|C<4>}	C(NC[6a]Cu)(CC[6a]C)(H)	116.9997	1.653	6	116.9997	2.733	6	117.1273	1.804	13	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6,6a]-3:C[6a]-3:C-3:	N-3:C-3:H-1:	C(C[6a]C[6,6a]C[6a])(CHN)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CCC)	C(NC[6a]Zn)(CC[6a]C)(H)	C(C[6a]C[6,6a]C[6a])(CHN)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CCC){2|C<3>,2|C<4>}	C(NC[6a]Zn)(CC[6a]C)(H)	117.2367	1.140	7	117.2367	1.300	7	117.1273	1.804	13	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CCC)(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a,6a]2)(CCC)(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCC){2|H<1>,5|C<3>}	C(CC[6a]C)(CCH)(H)	118.8930	0.000	1	118.8930	0.000	1	118.5415	0.247	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CCH)(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a,6a]2)(CCH)(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCC){2|H<1>,5|C<3>}	C(CC[6a]C)(CCH)(H)	118.1900	0.000	1	118.1900	0.000	1	118.5415	0.247	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-3:O-1:	C(C[6a]C[6a,6a]2)(CCH)(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCC)	C(CC[6a]C)(CBrC)(O)	C(C[6a]C[6a,6a]2)(CCH)(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCC){2|H<1>,5|C<3>}	C(CC[6a]C)(CBrC)(O)	112.3580	0.000	1	112.3580	0.000	1	112.3580	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CPtH)(CCH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CHS)(H)	C(C[6a]C[6a,6a]C[6a])(CPtH)(CCH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCC){1|H<1>,3|C<3>}	C(CC[6a]C)(CHS)(H)	114.8760	0.761	2	114.8760	0.579	2	114.8760	0.579	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCC){2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	126.6185	0.665	2	126.6185	0.443	2	126.6442	0.419	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CCC){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	126.6700	0.901	2	126.6700	0.812	2	126.6442	0.419	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCC){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]C)(O)	117.1500	0.000	1	117.1500	0.000	1	117.1500	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:F-1:	C(C[6a]C[6a]2)(CC[5a]O)(CCF)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(COO)(F)	C(C[6a]C[6a]2)(CC[5a]O)(CCF)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(COO)(F)	125.6040	0.000	1	125.6040	0.000	1	126.4545	1.447	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:F-1:	C(C[6a]C[6a]2)(CC[6a]O)(CCF)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CNO)(F)	C(C[6a]C[6a]2)(CC[6a]O)(CCF)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CNO)(F)	127.3050	0.000	1	127.3050	0.000	1	126.4545	1.447	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CCC){1|H<1>,2|C<3>}	C(CC[6a]C)(CC[6a]H)(H)	120.6747	0.420	7	120.6747	0.176	7	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CCC){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]C)(CC[6a]H)(H)	121.2950	0.000	1	121.2950	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCC){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]C)(CCH)(H)	116.1897	0.666	3	116.1897	0.443	3	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCC)	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCC){1|C<3>,1|H<1>}	C(CC[6a]C)2(H)	120.0610	0.000	1	120.0610	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCC)(H)	119.3065	0.094	2	119.3065	0.009	2	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(H)	119.9497	1.367	3	119.9497	1.869	3	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]H)(H)	119.0075	1.918	2	119.0075	3.680	2	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CHO)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CHO)(H)	121.3880	0.495	2	121.3880	0.245	2	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CSS)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CSS)(H)	122.1380	0.079	2	122.1380	0.006	2	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)2(H)	119.1037	5.277	6	119.1037	27.849	6	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(CCN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(CCN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(H)	119.0060	0.000	1	119.0060	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(CCO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(CCO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCO)(H)	120.0505	0.303	2	120.0505	0.092	2	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(CCO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CHH)(H)	C(C[6a]C[6a]2)(CCH)(CCO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CHH)(H)	119.2900	0.000	1	119.2900	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[5a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CC[6a]C)(H)	117.4920	0.000	1	117.4920	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCC)(H)	116.4590	0.204	2	116.4590	0.041	2	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]S)(CCC)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]S)(CCC){1|Si<4>,1|C<3>,1|H<1>}	C(CC[6a]C)(CC[6a]O)(H)	123.1290	0.000	1	123.1290	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(H)	123.3135	0.607	2	123.3135	0.369	2	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCC)	C(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CCC){1|C<3>,1|C<4>}	C(CC[6a]C)(COO)(H)	126.5350	0.000	1	126.5350	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(H)	116.1990	2.220	2	116.1990	4.930	2	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(CC[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]2)(CC[6a]C)(H)	120.0620	0.000	1	120.0620	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCC)(H)	116.1495	1.172	2	116.1495	1.373	2	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(H)	118.0205	0.648	6	118.0205	0.419	6	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]N)(H)	114.9800	0.000	1	114.9800	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CHH)(H)	C(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CHH)(H)	119.1160	0.000	1	119.1160	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CNN)(H)	C(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CNN)(H)	120.0140	0.000	1	120.0140	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(COsC)(H)	C(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(COsC)(H)	119.4140	0.683	2	119.4140	0.467	2	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)2(H)	115.4750	0.000	1	115.4750	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[3x6]O)(CCH)	C[6a](C[6a]C[6a]C)2(CCC)	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CC[3x6]O)(CCH)	C[6a](C[6a]C[6a]C)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)2(H)	113.7320	0.000	1	113.7320	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(H)	117.8585	1.790	4	117.8585	3.206	4	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]H)(H)	119.9750	0.000	1	119.9750	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(H)	116.2820	0.000	1	116.2820	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CC[6]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(COO)(H)	116.6180	0.000	1	116.6180	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCC)(H)	120.7930	0.000	1	120.7930	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(H)	122.4560	0.000	1	122.4560	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]O)(H)	121.9880	1.653	2	121.9880	2.733	2	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(H)	117.9135	0.269	2	117.9135	0.073	2	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCN)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCN)(H)	115.0260	0.000	1	115.0260	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]S)(CCC)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]S)(CCC){1|Si<4>,1|C<3>,1|H<1>}	C(CC[6a]C)(CC[6a]O)(H)	128.7940	0.000	1	128.7940	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]H)(H)	114.7560	0.000	1	114.7560	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]N)(H)	119.7770	0.000	1	119.7770	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]Os)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]Os)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCC)(H)	111.2797	1.007	3	111.2797	1.013	3	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]Pt)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]Pt)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(H)	115.8130	0.000	1	115.8130	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CP[6]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CP[6]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]H)(H)	117.0760	0.000	1	117.0760	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CP[6]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CHH)(H)	C(C[6a]C[6a]2)(CP[6]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CHH)(H)	119.4250	0.000	1	119.4250	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CRhH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]Rh)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CRhH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]Rh)(CC[6a]C)(H)	122.3290	0.000	1	122.3290	0.000	1	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CRuC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CRuC)(H)	C(C[6a]C[6a]2)(CRuC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CRuC)(H)	122.7807	0.925	4	122.7807	0.856	4	119.0493	10.940	86	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-1:	C(C[6a]C[6a]2)(CCH)(CCO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCC)(O)	C(C[6a]C[6a]2)(CCH)(CCO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCC)(O)	114.6830	1.172	2	114.6830	1.374	2	114.6830	1.374	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CCO)(CHN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NCH)(H)	C(C[6a]C[6a]2)(CCO)(CHN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NCH)(H)	116.6595	0.146	2	116.6595	0.021	2	122.2026	11.083	27	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CCO)(CHN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CCO)(CHN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a]H)(H)	118.4220	0.000	1	118.4220	0.000	1	122.2026	11.083	27	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(CHO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NCH)(H)	C(C[6a]C[6a]2)(CHN)(CHO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NCH)(H)	119.0400	0.000	1	119.0400	0.000	1	122.2026	11.083	27	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(CHO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CHN)(CHO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a]H)(H)	124.2520	0.314	2	124.2520	0.099	2	122.2026	11.083	27	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(CC[6a]C)(NCC)(H)	C(C[6a]C[6a]2)(CHN)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NCC)(H)	126.3025	0.470	6	126.3025	0.221	6	122.2026	11.083	27	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NCS)(H)	C(C[6a]C[6a]2)(CHN)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NCS)(H)	124.3810	0.000	1	124.3810	0.000	1	122.2026	11.083	27	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CHN)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a]H)(H)	120.9275	2.132	4	120.9275	4.546	4	122.2026	11.083	27	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NOO)(H)	122.2395	0.613	2	122.2395	0.376	2	122.2026	11.083	27	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NCC)(H)	C(C[6a]C[6a]2)(CHN)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NCC)(H)	123.9740	1.936	2	123.9740	3.748	2	122.2026	11.083	27	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CHN)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a]H)(H)	122.3243	1.858	3	122.3243	3.452	3	122.2026	11.083	27	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NHS)(H)	C(C[6a]C[6a]2)(CHN)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NHS)(H)	118.3700	0.000	1	118.3700	0.000	1	122.2026	11.083	27	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NZnC)(H)	C(C[6a]C[6a]2)(CHN)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NZnC)(H)	118.2550	1.956	2	118.2550	3.825	2	122.2026	11.083	27	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CCC)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CCC)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NCC)(O)	113.7417	1.291	4	113.7417	1.667	4	116.4371	8.079	39	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CCH)(CNO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(NHS)(O)	C(C[6a]C[6a]2)(CCH)(CNO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCC){1|H<1>,2|C<3>}	C(CC[6a]C)(NHS)(O)	119.4140	0.000	1	119.4140	0.000	1	116.4371	8.079	39	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CCH)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CCH)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NCC)(O)	118.3403	0.469	3	118.3403	0.220	3	116.4371	8.079	39	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CCH)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NC[6]H)(O)	C(C[6a]C[6a]2)(CCH)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6]H)(O)	117.6450	0.000	1	117.6450	0.000	1	116.4371	8.079	39	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CCH)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NHS)(O)	C(C[6a]C[6a]2)(CCH)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NHS)(O)	121.2350	0.000	1	121.2350	0.000	1	116.4371	8.079	39	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CC[5a]H)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NHS)(O)	C(C[6a]C[6a]2)(CC[5a]H)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NHS)(O)	120.5785	0.166	2	120.5785	0.028	2	116.4371	8.079	39	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CC[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NCH)(O)	C(C[6a]C[6a]2)(CC[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NCH)(O)	113.5917	0.995	3	113.5917	0.990	3	116.4371	8.079	39	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CC[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CC[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a]H)(O)	114.7820	0.000	1	114.7820	0.000	1	116.4371	8.079	39	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]C)(NCC)(O)	114.3350	0.000	1	114.3350	0.000	1	116.4371	8.079	39	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NCC)(O)	111.0240	0.000	1	111.0240	0.000	1	116.4371	8.079	39	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NCH)(O)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NCH)(O)	115.0560	0.000	1	115.0560	0.000	1	116.4371	8.079	39	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NHS)(O)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NHS)(O)	111.8680	1.491	2	111.8680	2.222	2	116.4371	8.079	39	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NCC)(O)	116.5750	0.000	1	116.5750	0.000	1	116.4371	8.079	39	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NCC)(O)	115.7547	0.908	6	115.7547	0.824	6	116.4371	8.079	39	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NCH)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NCH)(O)	119.5150	0.000	2	119.5150	0.000	2	116.4371	8.079	39	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NHS)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]C)(NHS)(O)	120.4150	0.000	1	120.4150	0.000	1	116.4371	8.079	39	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NCH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NCH)(O)	115.8430	0.759	2	115.8430	0.577	2	116.4371	8.079	39	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CHH)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(CC[6a]C)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CHH)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a]H)(O)	120.5630	0.000	1	120.5630	0.000	1	116.4371	8.079	39	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CHH)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CHH)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a]C)(O)	119.8250	0.054	2	119.8250	0.003	2	116.4371	8.079	39	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CHH)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NHH)(O)	C(C[6a]C[6a]2)(CHH)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NHH)(O)	117.1090	0.168	2	117.1090	0.028	2	116.4371	8.079	39	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CSiH)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CSiH)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a]H)(O)	115.2360	0.000	1	115.2360	0.000	1	116.4371	8.079	39	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:S-1:	C(C[6a]C[6a]2)(CC[6a]C)(CNS)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NC[6a]B)(S)	C(C[6a]C[6a]2)(CC[6a]C)(CNS)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a]B)(S)	114.3650	0.854	2	114.3650	0.730	2	114.3650	0.730	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-3:H-1:	C(C[6a]C[6a]2)(CCC)(CHS)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(SCO)(H)	C(C[6a]C[6a]2)(CCC)(CHS)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(SCO)(H)	121.4290	0.000	1	121.4290	0.000	1	121.4290	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5]C[5]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5]C[5]2)(CC[6a]C)(H)	118.6940	0.000	1	118.6940	0.000	1	118.8552	6.354	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5]N[5,5]O[5])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5]N[5,5]O[5])(CC[6a]C)(H)	122.4650	0.000	1	122.4650	0.000	1	118.8552	6.354	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5]C[5]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5]C[5]2)(CC[6a]C)(H)	117.1310	0.243	2	117.1310	0.059	2	118.8552	6.354	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	117.5330	0.000	1	117.5330	0.000	1	122.1909	5.685	10	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(CCO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5a]C[5a]S[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CCO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(CC[6a]C)(H)	123.1690	0.000	1	123.1690	0.000	1	122.1909	5.685	10	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5a]C[5a]S[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(CC[6a]C)(H)	120.5563	0.684	3	120.5563	0.468	3	122.1909	5.685	10	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	123.4720	0.911	2	123.4720	0.829	2	122.1909	5.685	10	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	124.1980	1.297	3	124.1980	1.681	3	122.1909	5.685	10	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[5a]O)(CCF)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5a]N[5a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[5a]O)(CCF)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5a]N[5a]2)(CC[6a]C)(O)	116.2400	0.000	1	116.2400	0.000	1	119.0034	24.417	5	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[5a]O)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5a]C[5a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[5a]O)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]2)(CC[6a]C)(O)	113.9300	0.000	1	113.9300	0.000	1	119.0034	24.417	5	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[5a]O)(CC[3]H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5a]C[5a]O[5a])(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[5a]O)(CC[3]H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CC[6a]C)(O)	116.2560	0.000	1	116.2560	0.000	1	119.0034	24.417	5	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[5a]O)(CHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(C[5a]C[5a]S[5a])(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[5a]O)(CHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(CC[6a]C)(O)	124.2955	0.856	2	124.2955	0.733	2	119.0034	24.417	5	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6]C[5a,6]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6]C[5a,6]2)(CC[6a]C)(H)	123.7350	0.000	1	123.7350	0.000	1	120.3323	25.054	3	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6]C[6]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]C)(H)	122.6770	0.000	1	122.6770	0.000	1	120.3323	25.054	3	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]N)(CC[6]H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6]C[6,6a]C[6])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]N)(CC[6]H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(CC[6a]C)(H)	114.5850	0.000	1	114.5850	0.000	1	120.3323	25.054	3	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	122.6354	1.462	8	122.6354	2.137	8	123.9397	4.744	57	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	122.8817	5.094	3	122.8817	25.947	3	123.9397	4.744	57	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	123.0470	1.715	3	123.0470	2.942	3	123.9397	4.744	57	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	125.6160	0.000	1	125.6160	0.000	1	123.9397	4.744	57	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	124.3280	0.000	1	124.3280	0.000	1	123.9397	4.744	57	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	124.3440	0.663	4	124.3440	0.439	4	123.9397	4.744	57	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CCC){4|C<3>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	124.5170	0.000	1	124.5170	0.000	1	123.9397	4.744	57	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CHO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CHO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	126.4916	0.503	5	126.4916	0.253	5	123.9397	4.744	57	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	121.0750	0.000	1	121.0750	0.000	1	123.9397	4.744	57	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	119.3630	0.000	1	119.3630	0.000	1	123.9397	4.744	57	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	124.1570	0.000	1	123.1479	6.968	8	123.9397	4.744	57	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	123.0037	2.817	7	123.1479	6.968	8	123.9397	4.744	57	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN[6]O)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CN[6]O)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	126.0910	0.000	1	126.0910	0.000	1	123.9397	4.744	57	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	121.6300	0.000	1	121.6300	0.000	1	123.9397	4.744	57	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	124.7575	0.223	2	124.7575	0.050	2	123.9397	4.744	57	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	124.0990	0.000	1	124.4821	1.940	14	123.9397	4.744	57	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	124.5947	1.517	11	124.4821	1.940	14	123.9397	4.744	57	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|O<2>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	124.0545	1.248	2	124.4821	1.940	14	123.9397	4.744	57	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]N[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]C)(H)	124.5550	0.000	1	124.5550	0.000	1	123.9397	4.744	57	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CCC){1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	127.2090	0.000	1	127.2090	0.000	1	123.9397	4.744	57	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CPS)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CPS)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	124.0270	0.000	1	124.0270	0.000	1	123.9397	4.744	57	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(O)	115.2497	3.132	3	115.2497	9.808	3	115.9970	6.702	25	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(O)	114.8470	0.000	1	114.8470	0.000	1	115.9970	6.702	25	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(CCC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(O)	115.8060	0.000	1	115.8060	0.000	1	115.9970	6.702	25	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(O)	116.3465	1.228	4	116.3465	1.508	4	115.9970	6.702	25	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(O)	117.2695	0.258	2	117.2695	0.067	2	115.9970	6.702	25	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(O)	114.0750	0.000	1	114.0750	0.000	1	115.9970	6.702	25	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(CCF)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CCF)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(O)	116.9300	0.000	1	116.9300	0.000	1	115.9970	6.702	25	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]S)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]S)(CCC){1|Si<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(O)	116.3630	0.000	1	116.3630	0.000	1	115.9970	6.702	25	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(O)	117.8060	0.000	1	117.8060	0.000	1	115.9970	6.702	25	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(O)	123.4150	0.000	1	121.4220	7.944	2	115.9970	6.702	25	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(O)	119.4290	0.000	1	121.4220	7.944	2	115.9970	6.702	25	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(CCP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CCP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(O)	114.4430	0.000	1	114.4430	0.000	1	115.9970	6.702	25	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(O)	114.3355	0.326	2	114.3355	0.106	2	115.9970	6.702	25	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]P)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]P)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(O)	112.0410	0.000	1	112.0410	0.000	1	115.9970	6.702	25	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(CSS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CSS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(O)	113.3660	0.000	1	113.3660	0.000	1	115.9970	6.702	25	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(CSS)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CSS)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(O)	113.6810	0.256	2	113.6810	0.066	2	115.9970	6.702	25	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(O)	119.6960	0.000	1	119.6960	0.000	1	115.9970	6.702	25	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:H-1:	C(C[6a]C[6a]2)(CHN)2	C[6a](C[6a]C[6a]H)2(CCC)	C(NC[6a]Al)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(NC[6a]Al)(CC[6a]C)(H)	118.7810	1.875	2	118.7810	3.517	2	118.1726	1.943	20	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:H-1:	C(C[6a]C[6a]2)(CHN)2	C[6a](C[6a]C[6a]H)2(CCC)	C(NC[6a]As)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(NC[6a]As)(CC[6a]C)(H)	116.4080	0.461	2	116.4080	0.213	2	118.1726	1.943	20	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:H-1:	C(C[6a]C[6a]2)(CHN)2	C[6a](C[6a]C[6a]H)2(CCC)	C(NC[6a]Cu)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(NC[6a]Cu)(CC[6a]C)(H)	118.9480	0.840	2	118.9480	0.706	2	118.1726	1.943	20	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:H-1:	C(C[6a]C[6a]2)(CHN)2	C[6a](C[6a]C[6a]H)2(CCC)	C(NC[6a]Li)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(NC[6a]Li)(CC[6a]C)(H)	117.9917	1.482	4	117.9917	2.197	4	118.1726	1.943	20	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:H-1:	C(C[6a]C[6a]2)(CHN)2	C[6a](C[6a]C[6a]H)2(CCC)	C(NC[6a]Sb)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(NC[6a]Sb)(CC[6a]C)(H)	118.5030	1.374	8	118.5030	1.889	8	118.1726	1.943	20	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:H-1:	C(C[6a]C[6a]2)(CHN)2	C[6a](C[6a]C[6a]H)2(CCC)	C(NC[6a]Zn)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(NC[6a]Zn)(CC[6a]C)(H)	117.5935	1.682	2	117.5935	2.830	2	118.1726	1.943	20	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(NC[3x6]B)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(NC[3x6]B)(CC[6a]C)(O)	111.7460	0.000	1	111.7460	0.000	1	114.0265	10.401	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:O-1:	C(C[6a]C[6a]2)(CPdH)(CNO)	C[6a](C[6a]C[6a]F)2(CCC)	C(NC[6a]Pd)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CPdH)(CNO)	C[6a](C[6a]C[6a]F)2(CCC){1|C<3>,2|H<1>}	C(NC[6a]Pd)(CC[6a]C)(O)	116.3070	0.000	1	116.3070	0.000	1	114.0265	10.401	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:S-1:	C(C[6a]C[6a]2)(CC[6a]C)(CNS)	C[6a](C[6a]C[6a]H)2(CCC)	C(NC[3x6]B)(CC[6a]C)(S)	C(C[6a]C[6a]2)(CC[6a]C)(CNS)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(NC[3x6]B)(CC[6a]C)(S)	115.7000	0.000	1	115.7000	0.000	1	115.7000	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN[6]O)	C[6a](C[6a]C[6a]H)2(CCC)	C(N[6]C[6]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CN[6]O)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(N[6]C[6]2)(CC[6a]C)(O)	118.4530	0.000	1	118.4530	0.000	1	116.9935	4.260	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:O-1:	C(C[6a]C[6a]2)(CN[6]O)(CCO)	C[6a](C[6a]C[6a]H)2(CCC)	C(N[6]C[6]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CN[6]O)(CCO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(N[6]C[6]2)(CC[6a]C)(O)	115.5340	0.000	1	115.5340	0.000	1	116.9935	4.260	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	N[5a,6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]N[5a,6a]C[6a])(CHN)(COO)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(NCC)(H)	C(C[6a]N[5a,6a]C[6a])(CHN)(COO)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCC){1|C<3>,1|C<4>,2|N<2>}	C(CC[6a]C)(NCC)(H)	126.7830	0.000	1	126.7830	0.000	1	126.7830	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:Br-1:	C(C[6a]C[6a]2)(CBrC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CHO)(Br)	C(C[6a]C[6a]2)(CBrC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CHO)(Br)	119.9535	0.767	2	119.9535	0.589	2	119.9535	0.589	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:Cl-1:	C(C[6a]C[6a]2)(CClC)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)2(Cl)	C(C[6a]C[6a]2)(CClC)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)2(Cl)	119.2700	0.000	1	119.2700	0.000	1	119.2700	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	C(CC[6a]N)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,1|F<1>,1|H<1>}	C(CC[6a]N)(CCC)(H)	119.3900	0.000	1	119.3900	0.000	1	121.4035	6.484	29	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCH)(H)	121.6210	2.343	2	121.6210	5.491	2	121.4035	6.484	29	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CC[3]O)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CC[3]O)(H)	121.5070	0.000	1	121.5070	0.000	1	121.4035	6.484	29	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CC[6a]O)(H)	122.7253	2.460	4	122.7253	6.053	4	121.4035	6.484	29	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCrN)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCrN)(H)	122.3100	0.000	1	122.3100	0.000	1	121.4035	6.484	29	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CHN)(H)	120.6137	0.534	3	120.6137	0.285	3	121.4035	6.484	29	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(COW)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(COW)(H)	119.3210	0.000	1	119.3210	0.000	1	121.4035	6.484	29	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCN)	C(CC[6a]N)(COO)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCN){2|H<1>,3|C<3>}	C(CC[6a]N)(COO)(H)	120.3670	0.000	1	120.3670	0.000	1	121.4035	6.484	29	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[5a]O)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[5a]O)(CC[6a]N)(H)	120.4430	0.000	1	120.4430	0.000	1	121.4035	6.484	29	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CC[5]O)(H)	119.3380	0.000	1	119.3380	0.000	1	121.4035	6.484	29	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CC[6a]O)(H)	118.2510	0.819	2	118.2510	0.670	2	121.4035	6.484	29	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCrO)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCrO)(H)	118.4910	0.000	1	118.4910	0.000	1	121.4035	6.484	29	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CNO)(H)	119.1060	0.000	1	119.1060	0.000	1	121.4035	6.484	29	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(COO)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(COO)(H)	124.6270	0.498	2	124.6270	0.248	2	121.4035	6.484	29	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCO)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NCO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]N)(H)	120.1060	0.000	1	120.1060	0.000	1	121.4035	6.484	29	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCS)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]C)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NCS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]N)(H)	122.8440	0.000	1	122.8440	0.000	1	121.4035	6.484	29	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCS)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(NCS)	C[6a](C[6a]C[6a]H)2(CCN){1|H<1>,1|O<1>,1|O<2>}	C(CC[6a]N)(CNO)(H)	121.7440	0.000	1	121.7440	0.000	1	121.4035	6.484	29	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCN)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCN){2|H<1>,3|C<3>}	C(CC[6a]N)(CC[6a]O)(H)	119.0610	0.000	1	119.0610	0.000	1	121.4035	6.484	29	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NHS)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCO)(H)	121.6450	0.000	1	121.6450	0.000	1	121.4035	6.484	29	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]N)(CCH)(H)	124.0760	0.000	1	124.0760	0.000	1	121.4035	6.484	29	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NSS)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NSS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CC[6a]O)(H)	129.2130	0.000	1	129.2130	0.000	1	121.4035	6.484	29	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(NHS)(H)	C(C[6a]C[6a]2)(CHN)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NHS)(H)	124.1765	0.445	2	124.1765	0.198	2	122.9000	2.948	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(NHS)(H)	C(C[6a]C[6a]2)(CHN)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NHS)(H)	122.6550	0.000	1	122.6550	0.000	1	122.9000	2.948	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)(NOO)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]2)(CHN)(NOO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NCH)(H)	120.5920	0.000	1	120.5920	0.000	1	122.9000	2.948	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(NCuC)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[5]C[5]N[5])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[5]H)(NCuC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[5]C[5]N[5])(CC[6a]N)(H)	116.3320	0.000	1	116.3320	0.000	1	116.3320	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(NPbSi)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6]H)(NPbSi)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]N)(H)	115.3990	4.002	2	115.3990	16.018	2	115.4762	7.858	5	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(NSiSn)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6]H)(NSiSn)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]N)(H)	116.1630	3.602	2	116.1630	12.974	2	115.4762	7.858	5	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(NSiZn)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6]H)(NSiZn)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]N)(H)	114.2570	0.000	1	114.2570	0.000	1	115.4762	7.858	5	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Br-1:	C(C[6a]C[6a]2)(CC[6a]Br)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(Br)	C(C[6a]C[6a]2)(CC[6a]Br)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(Br)	123.6065	0.846	2	123.6065	0.716	2	123.6065	0.716	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(H)	124.2365	4.481	2	124.2365	20.079	2	123.1355	6.858	10	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(H)	122.7070	0.000	1	122.7070	0.000	1	123.1355	6.858	10	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(H)	123.4780	1.329	2	123.4780	1.767	2	123.1355	6.858	10	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	121.1550	1.209	3	121.1550	1.462	3	123.1355	6.858	10	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	122.0240	0.000	1	122.0240	0.000	1	123.1355	6.858	10	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NOO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(H)	127.7300	0.000	1	127.7300	0.000	1	123.1355	6.858	10	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]O)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(O)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]O)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(O)	119.3740	0.440	2	119.3740	0.193	2	119.3740	0.193	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(ORu2)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(ORu2)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	118.0770	1.394	4	118.0770	1.943	4	119.3805	3.781	8	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(OZn2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(OZn2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	120.4305	2.597	2	120.4305	6.745	2	119.3805	3.781	8	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(OZn2)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6]H)(OZn2)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	120.9375	0.199	2	120.9375	0.039	2	119.3805	3.781	8	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:S-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(SCO)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[5a]N[5a]S[5a])(CC[6a]S)(H)	C(C[6a]C[6a]2)(CC[5a]H)(SCO)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[5a]N[5a]S[5a])(CC[6a]S)(H)	121.4580	0.000	1	121.4580	0.000	1	121.4580	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:S-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(SCC)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CC[6a]H)(SCC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(H)	124.2590	0.000	1	124.2590	0.000	1	124.2590	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[4]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(C[4]C[4]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[4]C)	C(CC[6a]C[4])(CHN)(H)	C(C[6a]C[6a]2)(C[4]C[4]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[4]C){1|C<3>,2|H<1>}	C(CC[6a]C[4])(CHN)(H)	117.2660	0.960	2	117.2660	0.922	2	117.2660	0.922	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[4]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(C[4]C[4]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[4]C)	C(C[6a]C[6a]2)(CC[6a]C[4])(O)	C(C[6a]C[6a]2)(C[4]C[4]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[4]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[4])(O)	116.7520	0.000	1	116.7520	0.000	1	116.7520	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]C)	C(CC[6a]C[5])(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]C){2|H<1>,3|C<3>}	C(CC[6a]C[5])(CCH)(H)	115.9645	0.264	4	115.9645	0.070	4	115.9645	0.070	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(CCC)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CCC)(H)	120.6260	0.000	1	120.6260	0.000	1	118.8865	6.052	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CC[6a]H)(H)	117.1470	0.000	1	117.1470	0.000	1	118.8865	6.052	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(CC[6a]O)(O)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CC[6a]O)(O)	115.8670	0.000	1	115.8670	0.000	1	118.8660	6.899	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-1:	C(C[6a]C[6a]2)(C[5]N[5]2)(CCO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(CC[6a]O)(O)	C(C[6a]C[6a]2)(C[5]N[5]2)(CCO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CC[6a]O)(O)	119.8657	2.086	3	119.8657	4.353	3	118.8660	6.899	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	123.3515	1.621	4	123.3515	2.626	4	123.3515	2.626	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	113.6970	0.000	1	113.6970	0.000	1	116.8940	20.442	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(C[5]S[5]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	C(C[6a]C[6a]2)(C[5]S[5]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[5])(O)	120.0910	0.000	1	120.0910	0.000	1	116.8940	20.442	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(CC[6a]C[6])(CCH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C(CC[6a]C[6])(CCH)(H)	119.0890	0.000	1	119.0890	0.000	1	119.0890	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(CCH)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(CC[6a]C)	C(CC[6a]2)(COO)(H)	C(C[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(CCH)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(CC[6a]C){1|N<2>,1|O<2>,5|C<3>}	C(CC[6a]2)(COO)(H)	121.8640	0.000	1	121.8640	0.000	1	121.8640	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CCH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(CNO)(H)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CCH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]C){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(CC[6a]2)(CNO)(H)	127.5820	0.000	1	127.5820	0.000	1	127.5820	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(NHS)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C){2|H<1>,3|C<3>}	C(CC[6a]2)(NHS)(H)	120.0980	0.552	2	120.0980	0.304	2	120.0980	0.304	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	120.0277	1.548	3	120.0277	2.396	3	120.0277	2.396	3	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	B[5]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CB[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(B[5]O[5]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CB[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(B[5]O[5]2)(CC[6a]2)(H)	122.3465	1.855	2	122.3465	3.440	2	122.3465	3.440	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(COO)(H)	C(C[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(COO)(H)	121.6200	0.000	1	121.6200	0.000	1	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]Cl)2(CC[6a]C)	C(CC[6a]2)(CNO)(H)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]Cl)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CNO)(H)	114.0250	0.000	1	114.0250	0.000	1	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(CCH)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]C){2|H<1>,3|C<3>}	C(CC[6a]2)(CCH)(H)	122.3410	0.000	1	122.3410	0.000	1	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(CCO)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CCO)(H)	123.8220	0.000	1	123.8220	0.000	1	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(CN[6]O)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CN[6]O)(H)	124.4520	0.000	1	124.4520	0.000	1	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(COO)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(COO)(H)	123.7040	0.000	1	123.7040	0.000	1	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]C)2(CC[6a]C)	C(CC[6a]2)(CCH)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]C)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CCH)(H)	121.7590	0.000	1	121.7590	0.000	1	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]F)2(CC[6a]C)	C(CC[6a]2)(COO)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]F)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(COO)(H)	121.3167	1.939	3	121.3167	3.761	3	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	C(CC[6a]2)(CCC)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CCC)(H)	128.5873	1.365	3	128.5873	1.864	3	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	C(CC[6a]2)(CN[6]O)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CN[6]O)(H)	120.7610	0.000	1	120.7610	0.000	1	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[5a]C[6a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CC[6a]2)(H)	120.8260	0.544	2	120.8260	0.296	2	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CCC)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CCC)(H)	118.0130	2.688	7	118.0130	7.226	7	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CCH)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]2)(CCH)(H)	121.5250	0.000	1	121.4039	1.947	38	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CCH)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CCH)(H)	121.4006	1.414	37	121.4039	1.947	38	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CCO)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CCO)(H)	121.6501	2.101	15	121.6501	4.415	15	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CC[5]C)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[5]C)(H)	121.0165	4.283	2	121.0165	18.344	2	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CC[5]H)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[5]H)(H)	121.2232	3.662	6	121.2232	13.408	6	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CC[5]O)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[5]O)(H)	122.8575	3.628	2	122.8575	13.164	2	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CC[6]H)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6]H)(H)	121.2685	2.208	10	121.2685	4.874	10	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]C)(H)	122.3325	2.132	2	122.3325	4.545	2	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]N)(H)	121.2580	1.036	4	121.2580	1.072	4	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]O)(H)	121.3255	0.438	2	121.3255	0.192	2	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CHN)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CHN)(H)	121.0919	1.455	20	121.0919	2.117	20	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CIrO)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CIrO)(H)	117.9180	3.153	4	117.9180	9.942	4	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CNO)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CNO)(H)	120.8600	2.536	4	120.8600	6.429	4	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CN[6]O)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]2)(CN[6]O)(H)	122.5685	0.564	2	120.5755	5.438	4	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CN[6]O)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CN[6]O)(H)	118.5825	0.330	2	120.5755	5.438	4	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(COO)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(COO)(H)	121.5413	2.418	6	121.5413	5.846	6	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(COsH)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(COsH)(H)	122.0475	1.793	2	122.0475	3.213	2	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CRhO)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CRhO)(H)	121.8020	6.930	2	121.8020	48.020	2	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CRuN)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CRuN)(H)	120.5905	2.485	2	120.5905	6.178	2	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CRuO)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CRuO)(H)	122.1003	1.516	4	122.1003	2.297	4	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CN[5a]Ru)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CN[5a]Ru)(CC[6a]2)(H)	121.2005	4.641	2	121.2005	21.536	2	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(CIrO)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CIrO)(H)	125.4125	0.146	2	125.4125	0.021	2	121.3280	6.259	156	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:I-1:	C(C[6a]C[6a]2)2(CCI)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CC[6a]N)(I)	C(C[6a]C[6a]2)2(CCI)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]N)(I)	122.8515	1.736	2	122.8515	3.014	2	122.4453	2.689	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:I-1:	C(C[6a]C[6a]2)2(CCI)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CC[6a]O)(I)	C(C[6a]C[6a]2)2(CCI)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]O)(I)	122.0390	2.096	2	122.0390	4.393	2	122.4453	2.689	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(NHS)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(NHS)(H)	120.4795	0.199	2	120.4795	0.039	2	121.1265	7.678	20	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)2(CHN)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(NCC)(H)	C(C[6a]C[6a]2)2(CHN)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(NCC)(H)	121.2552	3.179	14	121.2552	10.104	14	121.1265	7.678	20	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)2(CHN)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(NHS)(H)	C(C[6a]C[6a]2)2(CHN)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(NHS)(H)	120.9995	2.110	4	120.9995	4.454	4	121.1265	7.678	20	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[3]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[3]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[3]C[3]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[3]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[3]C[3]2)(CC[6a]2)(H)	121.2270	0.979	2	121.2270	0.958	2	121.2270	0.958	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[5]C[5]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[5]C[5]2)(CC[6a]2)(H)	120.9032	1.284	4	120.9032	1.648	4	121.3563	2.206	8	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[5]Si[5]C[5])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[5]Si[5]C[5])(CC[6a]2)(H)	121.8092	1.718	4	121.8092	2.952	4	121.3563	2.206	8	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:I-1:	C(C[6a]C[6a]2)2(CC[5]I)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[5]C[5,6a]N[5])(CC[6a]2)(I)	C(C[6a]C[6a]2)2(CC[5]I)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[5]C[5,6a]N[5])(CC[6a]2)(I)	122.1435	3.792	2	122.1435	14.381	2	122.1435	14.381	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[5a]C[5a,6a]C[5a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]2)(H)	121.8500	4.045	2	121.8500	16.359	2	121.5035	2.887	22	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[5a]C[5a,6a]O[5a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]O[5a])(CC[6a]2)(H)	121.1570	1.127	2	121.1570	1.270	2	121.5035	2.887	22	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[5a]C[5a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[5a]C[5a]2)(CC[6a]2)(H)	121.3275	1.261	6	121.3275	1.590	6	121.5035	2.887	22	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[5a]C[5a]S[5a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(CC[6a]2)(H)	121.5058	1.556	10	121.5058	2.420	10	121.5035	2.887	22	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[5a]N[5a]O[5a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[5a]N[5a]O[5a])(CC[6a]2)(H)	122.0205	3.475	2	122.0205	12.079	2	121.5035	2.887	22	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:Br-1:	C(C[6a]C[6a]2)2(CC[6]Br)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6]C[6]2)(CC[6a]2)(Br)	C(C[6a]C[6a]2)2(CC[6]Br)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]2)(Br)	122.5730	3.816	2	122.5730	14.558	2	122.5730	14.558	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	C(C[6]C[6]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]2)(H)	123.9085	0.798	2	123.9085	0.637	2	121.3771	5.607	8	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6]C[6,6a]C[6])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(CC[6a]2)(H)	121.5555	0.633	2	121.5555	0.401	2	121.3771	5.607	8	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6]C[6]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]2)(H)	120.0222	2.449	4	120.0222	5.997	4	121.3771	5.607	8	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Br-1:	C(C[6a]C[6a]2)2(CC[6a]Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(Br)	C(C[6a]C[6a]2)2(CC[6a]Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]2)(Br)	123.9730	0.000	1	123.9730	0.000	1	122.3093	0.521	10	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Br-1:	C(C[6a]C[6a]2)2(CC[6a]Br)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(Br)	C(C[6a]C[6a]2)2(CC[6a]Br)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(Br)	122.1244	0.449	9	122.1244	0.202	9	122.3093	0.521	10	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Cl-1:	C(C[6a]C[6a]2)2(CC[6a]Cl)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]2)(Cl)	C(C[6a]C[6a]2)2(CC[6a]Cl)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]2)(Cl)	122.3790	2.570	2	122.3790	6.603	2	122.3790	6.603	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	124.0213	0.732	3	124.0213	0.535	3	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(CC[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	121.7200	0.000	1	121.7200	0.000	1	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	118.7620	0.000	1	118.2187	0.462	3	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	117.9470	0.693	2	118.2187	0.462	3	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(CC[6a]C){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	120.3870	0.000	1	120.3870	0.000	1	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	121.7730	0.000	1	121.7730	0.000	1	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]2)(H)	123.2100	0.000	1	123.2100	0.000	1	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	122.2230	0.000	1	119.9418	4.468	13	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	121.3060	0.000	1	119.9418	4.468	13	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	120.9004	2.247	5	119.9418	4.468	13	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	118.5353	1.406	6	119.9418	4.468	13	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]C)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]C)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	121.6070	0.000	1	121.6070	0.000	1	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]F)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]F)2(CC[6a]C){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	122.0170	0.000	1	122.0170	0.000	1	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	123.3050	0.769	3	123.3050	0.591	3	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	122.2690	0.000	1	122.2690	0.000	1	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	117.1200	0.465	2	117.1200	0.216	2	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a,6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]2)(CC[6a]2)(H)	120.8092	1.417	6	120.8092	2.008	6	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]2)(H)	120.1840	0.000	1	120.1840	0.000	1	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	125.0480	0.000	1	122.1490	4.684	86	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	122.1160	2.167	84	122.1490	4.684	86	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	122.0230	0.000	1	122.1490	4.684	86	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]2)(H)	121.9397	1.744	16	121.9397	3.042	16	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	119.9820	0.000	1	119.9820	0.000	1	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]C){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	117.6580	0.000	1	118.1880	0.228	3	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	118.4530	0.188	2	118.1880	0.228	3	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(CC[6a]C){4|C<3>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	120.9140	0.000	1	120.9140	0.000	1	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6a]H)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	120.5440	0.000	1	120.5440	0.000	1	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(H)	120.2800	0.000	1	120.2800	0.000	1	121.6345	4.978	147	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:I-1:	C(C[6a]C[6a]2)2(CC[6a]I)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(I)	C(C[6a]C[6a]2)2(CC[6a]I)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(I)	122.6140	2.376	2	122.6140	5.645	2	122.6140	5.645	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[3]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CN[3]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(N[3]C[3]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CN[3]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(N[3]C[3]2)(CC[6a]2)(H)	121.1160	3.985	2	121.1160	15.882	2	121.1160	15.882	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CN[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(N[5]C[5]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CN[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CC[6a]2)(H)	122.9300	0.000	1	120.9945	7.492	2	120.9945	7.492	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CN[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(N[5]C[5]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CN[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|H<1>,2|C<3>}	C(N[5]C[5]2)(CC[6a]2)(H)	119.0590	0.000	1	120.9945	7.492	2	120.9945	7.492	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CN[5a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(N[5a]C[5a,6a]C[5a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CN[5a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]2)(H)	121.7075	3.806	2	121.7075	14.488	2	121.4273	11.432	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CN[5a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(N[5a]C[5a,6a]S[5a])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CN[5a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]S[5a])(CC[6a]2)(H)	121.1470	4.415	2	121.1470	19.494	2	121.4273	11.432	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CN[6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(N[6]C[6,6]C[6])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CN[6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(N[6]C[6,6]C[6])(CC[6a]2)(H)	121.2175	2.244	2	121.2175	5.034	2	121.3640	2.614	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:H-1:	C(C[6a]C[6a]2)2(CN[6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(N[6]C[6,6a]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CN[6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(N[6]C[6,6a]2)(CC[6a]2)(H)	121.5105	1.650	2	121.5105	2.721	2	121.3640	2.614	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NAlSi)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[3x6]N)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NAlSi)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[3x6]N)(CC[6a]N)(H)	113.4390	1.048	2	113.4390	1.098	2	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NAlSi)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NAlSi)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)2(H)	115.6090	0.221	2	115.6090	0.049	2	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(COO)(H)	C(C[6a]C[6a]2)(NC[5a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(COO)(H)	117.9070	0.000	1	117.9070	0.000	1	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCO)(H)	C(C[6a]C[6a]2)(NC[6]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCO)(H)	121.0570	0.000	1	121.0570	0.000	1	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CC[6a]O)(H)	117.4380	0.000	1	117.4380	0.000	1	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CNO)(H)	C(C[6a]C[6a]2)(NC[6]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CNO)(H)	119.9880	0.000	1	119.9880	0.000	1	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCH)(H)	125.1480	0.948	2	125.1480	0.898	2	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]Al)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Al)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)2(H)	116.1795	0.286	4	116.1795	0.082	4	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]Be)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Be)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)2(H)	116.1487	0.540	4	116.1487	0.291	4	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCH)(H)	122.7295	0.826	4	122.7295	0.682	4	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CHO)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CHO)(H)	121.9250	0.000	1	121.9250	0.000	1	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCN)(H)	121.7433	3.978	3	121.7433	15.827	3	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCO)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCO)(H)	117.7400	0.000	1	117.7400	0.000	1	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CC[6a]O)(H)	119.2454	0.577	5	119.2454	0.333	5	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(COO)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(COO)(H)	119.8900	0.000	1	119.8900	0.000	1	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(COW)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(COW)(H)	118.3080	0.839	2	118.3080	0.703	2	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]Li)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Li)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)2(H)	115.2755	0.409	2	115.2755	0.168	2	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]Mg)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Mg)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)2(H)	115.4245	1.682	2	115.4245	2.830	2	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]Ni)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(NC[6a]Ni)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCN)(H)	117.2825	2.113	4	117.2825	4.464	4	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]Pd)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CPdO)(H)	C(C[6a]C[6a]2)(NC[6a]Pd)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CPdO)(H)	117.9850	0.636	2	117.9850	0.405	2	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]Zn)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Zn)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)2(H)	115.5765	1.446	2	115.5765	2.091	2	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCoH)(CCH)	C[6a](C[6a]C[6a]C)2(CCN)	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(NCoH)(CCH)	C[6a](C[6a]C[6a]C)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCN)(H)	120.2840	0.896	3	120.2840	0.802	3	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NCuC)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(NCuC)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCN)(H)	115.2703	0.029	3	115.2703	0.001	3	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NLiSi)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NLiSi)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)2(H)	112.1630	0.000	1	112.1630	0.000	1	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NPdC)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CC[5]O)(H)	C(C[6a]C[6a]2)(NPdC)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CC[5]O)(H)	116.2040	0.000	1	116.2040	0.000	1	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NSiSn)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NSiSn)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)2(H)	112.6670	0.470	2	112.6670	0.220	2	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(NZnN)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NZnN)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]H)(CC[6a]N)(H)	121.0567	0.330	4	121.0567	0.109	4	118.1129	10.416	61	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(NFeC)(CHN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(NFeC)(H)	C(C[6a]C[6a]2)(NFeC)(CHN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NFeC)(H)	116.1320	0.000	1	116.1320	0.000	1	116.1320	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]Al)(CC[6]H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Al)(CC[6]H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]N)(H)	116.7045	1.164	4	116.7045	1.355	4	116.0993	1.171	12	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]Co)(CC[6]H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Co)(CC[6]H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]N)(H)	117.0675	0.127	2	117.0675	0.016	2	116.0993	1.171	12	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]Cu)(CC[6]H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Cu)(CC[6]H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]N)(H)	115.6420	0.164	2	115.6420	0.027	2	116.0993	1.171	12	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]Fe)(CC[6]H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Fe)(CC[6]H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]N)(H)	115.2210	0.989	2	115.2210	0.977	2	116.0993	1.171	12	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]Ni)(CC[6]H)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Ni)(CC[6]H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]N)(H)	115.2565	1.037	2	115.2565	1.076	2	116.0993	1.171	12	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]Al)(CN[5]H)	C[6a](C[6a]C[6a]H)2(CCN)	C(N[5]C[5]N[5])(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Al)(CN[5]H)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(N[5]C[5]N[5])(CC[6a]N)(H)	116.6990	0.000	1	116.6990	0.000	1	116.6990	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[4]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:Br-1:	C(C[6a]C[6a]2)(N[4]C[4]2)(CBrC)	C[6a](C[6a]C[6a]H)2(CN[4]C)	C(CC[6a]N[4])(COO)(Br)	C(C[6a]C[6a]2)(N[4]C[4]2)(CBrC)	C[6a](C[6a]C[6a]H)2(CN[4]C){1|C<3>,2|H<1>}	C(CC[6a]N[4])(COO)(Br)	123.0708	0.343	4	123.0708	0.118	4	123.0708	0.118	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(CCH)	C[6a](C[6a]C[6a]H)2(CN[5]C)	C(CC[6a]N[5])(COO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCH)	C[6a](C[6a]C[6a]H)2(CN[5]C){1|C<3>,2|H<1>}	C(CC[6a]N[5])(COO)(H)	123.5697	0.501	3	123.5697	0.251	3	123.5697	0.251	3	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CN[5]C)	C(C[5a]C[5a]O[5a])(CC[6a]N[5])(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CN[5]C){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CC[6a]N[5])(H)	123.6410	0.000	1	123.6410	0.000	1	123.1515	0.479	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CN[5]C)	C(C[5a]N[5a,6]C[5a])(CC[6a]N[5])(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CN[5]C){1|C<3>,2|H<1>}	C(C[5a]N[5a,6]C[5a])(CC[6a]N[5])(H)	122.6620	0.000	1	122.6620	0.000	1	123.1515	0.479	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CN[5]C)	C(C[6a]C[6a]2)(CC[6a]N[5])(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CN[5]C){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]N[5])(H)	123.7870	0.000	1	123.7870	0.000	1	123.7870	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6a]-3:H-1:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	C(CC[6a]N[5a])(C[6a]C[6a]2)(H)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	C(CC[6a]N[5a])(C[6a]C[6a]2)(H)	121.9010	0.000	1	121.9010	0.000	1	121.9010	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6a]-3:I-1:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC[6a]I)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	C(CC[6a]N[5a])(C[6a]C[6a]2)(I)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC[6a]I)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]N[5a])(C[6a]C[6a]2)(I)	128.3030	0.923	2	128.3030	0.853	2	128.3030	0.853	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2)(CCH)	C[6a](C[6a]C[6a]H)2(CN[6]C)	C(CC[6a]N[6])(CCH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCH)	C[6a](C[6a]C[6a]H)2(CN[6]C){1|C<3>,2|H<1>}	C(CC[6a]N[6])(CCH)(H)	121.4970	0.000	1	121.4970	0.000	1	121.4970	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	C[6a](C[6a]C[6a]H)2(CN[6]C)	C(CC[6a]N[6])(NC[6a]S)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	C[6a](C[6a]C[6a]H)2(CN[6]C){1|C<3>,2|H<1>}	C(CC[6a]N[6])(NC[6a]S)(H)	118.4780	0.000	1	118.4780	0.000	1	120.2250	6.104	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	C[6a](C[6a]C[6a]H)2(CN[6]C)	C(CC[6a]N[6])(NOO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	C[6a](C[6a]C[6a]H)2(CN[6]C){1|C<3>,2|H<1>}	C(CC[6a]N[6])(NOO)(H)	121.9720	0.000	1	121.9720	0.000	1	120.2250	6.104	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CN[6a]C)	C(CC[6a]N[6a])(COO)(H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CN[6a]C){1|C<3>,2|H<1>}	C(CC[6a]N[6a])(COO)(H)	124.8110	0.000	1	124.8110	0.000	1	124.8110	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:O-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(OC[6a]Rh)(CCH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(OC[6a]Rh)(CCH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCH)(H)	131.2160	0.298	2	131.2160	0.089	2	122.0105	35.641	8	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:O-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(OCo2)(CCH)	C[6a](C[6a]C[6a]F)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(OCo2)(CCH)	C[6a](C[6a]C[6a]F)2(CCO){1|C<3>,2|F<1>}	C(CC[6a]O)2(H)	117.8560	0.000	1	117.8560	0.000	1	122.0105	35.641	8	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:O-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(OCoNi)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(OCoNi)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	120.5680	0.000	1	120.5680	0.000	1	122.0105	35.641	8	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:O-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(OCr2)(CCH)	C[6a](C[6a]C[6a]H)2(CCO)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(OCr2)(CCH)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)(CCN)(H)	119.7930	0.000	1	119.7930	0.000	1	122.0105	35.641	8	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:O-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(ONi2)(CCH)	C[6a](C[6a]C[6a]F)2(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(ONi2)(CCH)	C[6a](C[6a]C[6a]F)2(CCO){1|C<3>,2|F<1>}	C(CC[6a]O)2(H)	116.7370	0.184	2	116.7370	0.034	2	122.0105	35.641	8	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:O-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(ONi2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(ONi2)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCO){1|C<3>,2|H<1>}	C(CC[6a]O)2(H)	121.9610	0.000	1	121.9610	0.000	1	122.0105	35.641	8	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:P-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(PC[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CCP)	C(CC[6a]P)(CCH)(H)	C(C[6a]C[6a]2)(PC[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)(CCH)(H)	123.1395	0.570	4	123.1395	0.324	4	123.1395	0.324	4	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	N[4]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:Br-1:	C(N[4]C[4,6]C[4])(C[6a]C[6a]2)(CBrC)	C[6a](C[6a]C[6a]H)2(CN[4]C)	C(CC[6a]N[4])(COO)(Br)	C(N[4]C[4,6]C[4])(C[6a]C[6a]2)(CBrC)	C[6a](C[6a]C[6a]H)2(CN[4]C){1|C<3>,2|H<1>}	C(CC[6a]N[4])(COO)(Br)	122.9280	0.000	1	122.9280	0.000	1	122.9280	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:C-3:H-1:	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN[6a]H)	C[6a](C[6a]C[6a]H)2(CN[5]C)	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5])(H)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN[6a]H)	C[6a](C[6a]C[6a]H)2(CN[5]C){1|Br<1>,1|C<3>,1|H<1>}	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5])(H)	121.9660	0.000	1	121.9660	0.000	1	121.9660	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	C(CC[6a]N[5a])(CHO)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	C(CC[6a]N[5a])(CHO)(H)	124.9493	1.122	7	124.9493	1.260	7	124.9493	1.260	7	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:I-1:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCI)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	C(CC[6a]N[5a])(CC[6a]O)(I)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCI)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	C(CC[6a]N[5a])(CC[6a]O)(I)	129.5005	0.462	2	129.5005	0.213	2	129.5005	0.213	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5a]C)	C(CC[6a]N[5a])(NHS)(H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5a]C){1|C<3>,2|H<1>}	C(CC[6a]N[5a])(NHS)(H)	125.7450	0.000	1	125.7450	0.000	1	125.1540	0.699	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	C(CC[6a]N[5a])(NHS)(H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	C(CC[6a]N[5a])(NHS)(H)	124.5630	0.000	1	124.5630	0.000	1	125.1540	0.699	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	C(C[5a]N[5a,6a]C[5a])(CC[6a]N[5a])(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	C(C[5a]N[5a,6a]C[5a])(CC[6a]N[5a])(H)	127.0310	0.000	1	127.0310	0.000	1	127.0310	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[6a]-3:C-3:H-1:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN[6a]H)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5a])(H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN[6a]H)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	C(N[6a]C[6a,6a]C[6a])(CC[6a]N[5a])(H)	122.3020	0.000	1	122.3020	0.000	1	122.3020	0.000	1	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	S-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(SC[5x3,5x5,20x6]Co)(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(CCH)(H)	C(SC[5x3,5x5,20x6]Co)(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(CCH)(H)	124.9115	1.324	2	124.9115	1.754	2	124.9115	1.754	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	S-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	S-3:C-3:H-1:	C(SC[5x3,5x5,20x6]Ru)(C[6a]C[6a]2)(CHS)	C[6a](C[6a]C[6a]H)2(CCS)	C(SC[5x3,5x5,20x6]Ru)(CC[6a]S)(H)	C(SC[5x3,5x5,20x6]Ru)(C[6a]C[6a]2)(CHS)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(SC[5x3,5x5,20x6]Ru)(CC[6a]S)(H)	124.7720	0.000	2	124.7720	0.000	2	124.7720	0.000	2	120.5775	11.759	1009	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	B[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6a]-3:Ge-2:	C(B[5a]N[5a]2)(C[6a]C[6a]2)(CC[6a]Ge)	C[6a](C[6a]C[6a]H)2(CB[5a]C)	C(CB[5a]C[6a])(C[6a]C[6a]2)(GeN)	C(B[5a]N[5a]2)(C[6a]C[6a]2)(CC[6a]Ge)	C[6a](C[6a]C[6a]H)2(CB[5a]C){1|C<3>,2|H<1>}	C(CB[5a]C[6a])(C[6a]C[6a]2)(GeN)	118.9140	0.000	1	118.9140	0.000	1	118.9140	0.000	1	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(COO)(CN)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(COO)(CN)	123.4090	0.000	1	123.4090	0.000	1	123.4090	0.000	1	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCC)	C(CC[6a]C)(CCN)(CN)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCC){1|C<3>,1|H<1>}	C(CC[6a]C)(CCN)(CN)	120.3620	0.000	1	120.3620	0.000	1	119.1663	2.769	25	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]H)(CC)	118.1437	0.864	8	118.1437	0.746	8	119.1663	2.769	25	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)2(CN)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)2(CN)	121.3987	1.238	3	121.3987	1.533	3	119.1663	2.769	25	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCC)(CC)	C(C[6a]C[6a]2)(CCC)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCC)(CC)	116.5350	0.000	1	116.5350	0.000	1	119.1663	2.769	25	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCC)(CN)	C(C[6a]C[6a]2)(CCC)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCC)(CN)	119.3037	1.867	4	119.3037	3.484	4	119.1663	2.769	25	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)(CN)	C(C[6a]C[6a]2)(CCC)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(CN)	118.1160	1.198	2	118.1160	1.435	2	119.1663	2.769	25	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CRuC)(CN)	C(C[6a]C[6a]2)(CCC)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CRuC)(CN)	119.3080	0.000	1	119.3080	0.000	1	119.1663	2.769	25	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CRuN)(CN)	C(C[6a]C[6a]2)(CCC)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CRuN)(CN)	119.7460	0.000	1	119.7460	0.000	1	119.1663	2.769	25	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)2(CN)	C(C[6a]C[6a]2)(CCC)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)2(CN)	119.4993	1.429	3	119.4993	2.041	3	119.1663	2.769	25	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCoC)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]Co)(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CCoC)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]Co)(CC[6a]C)(CC)	121.9150	0.000	1	121.9150	0.000	1	119.1663	2.769	25	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(CCH)(CCO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CNO)(OC)	C(C[6a]C[6a]2)(CCH)(CCO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CNO)(OC)	120.0810	0.000	1	120.0810	0.000	1	119.2550	10.236	4	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCC)(OH)	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCC)(OH)	115.9610	0.000	1	115.9610	0.000	1	119.2550	10.236	4	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)(OC)	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(OC)	117.6490	0.000	1	117.6490	0.000	1	119.2550	10.236	4	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CCH)(OH)	C(C[6a]C[6a]2)(CC[6a]O)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(OH)	123.3290	0.000	1	123.3290	0.000	1	119.2550	10.236	4	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:N-2:	C(C[6a]C[6a]2)(CHO)(CNN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NCC)(NS)	C(C[6a]C[6a]2)(CHO)(CNN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NCC)(NS)	117.8900	0.000	1	117.8900	0.000	1	117.8900	0.000	1	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-2:	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NC[6a]B)(OB)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a]B)(OB)	116.7165	1.163	2	116.7165	1.353	2	116.7165	1.353	2	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:P-3:S-2:	C(C[6a]C[6a]2)(CC[6a]H)(CPS)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(PCC)(SAl)	C(C[6a]C[6a]2)(CC[6a]H)(CPS)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(PCC)(SAl)	118.0390	0.000	1	118.0390	0.000	1	118.0390	0.000	1	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CRu)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CRu)	118.7670	0.000	1	118.7670	0.000	1	118.7670	0.000	1	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-2:	C(C[6a]C[6a]2)(CC[6a]N)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(NN)	118.5340	0.000	1	118.5340	0.000	1	120.4040	6.994	2	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-2:	C(C[6a]C[6a]2)(CC[6a]N)(CC[6]H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(CC[6]H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(NC)	122.2740	0.000	1	122.2740	0.000	1	120.4040	6.994	2	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(OC[6a])	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(OC[6a])	122.5060	0.000	1	122.5060	0.000	1	123.5099	1.198	7	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(CCS)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CC[6a]O)(CCS)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(OC)	122.6090	0.000	1	122.6090	0.000	1	123.5099	1.198	7	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CC[6a]O)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(OC)	124.4350	1.574	2	124.4350	2.478	2	123.5099	1.198	7	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CC[6a]O)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(OC)	124.3860	0.000	1	124.3860	0.000	1	123.5099	1.198	7	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(COS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CC[6a]O)(COS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(CC[6a]C)(OH)	123.2880	0.000	1	123.2880	0.000	1	123.5099	1.198	7	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CC[6a]O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(OH)	122.9100	0.000	1	122.9100	0.000	1	123.5099	1.198	7	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]N[6a])(CC[6a]O)(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(OH)	C(C[6a]C[6a]N[6a])(CC[6a]O)(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]2)(CCC){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]C)(OH)	122.8270	0.000	1	122.8270	0.000	1	122.8270	0.000	1	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(COO)(CN)	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(COO)(CN)	121.4820	1.082	2	121.4820	1.170	2	121.4820	1.170	2	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]N[6a])(CC[6a]N)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]N)(CN)	121.5335	0.520	2	121.5335	0.270	2	121.5335	0.270	2	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-2:	C(C[6a]C[6a]2)(CC[6a]N)(NPdN)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(NN)	C(C[6a]C[6a]2)(CC[6a]N)(NPdN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(NN)	119.5470	0.247	2	119.5470	0.061	2	119.5470	0.061	2	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(NNiO)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(ONi)	C(C[6a]C[6a]2)(CC[6a]O)(NNiO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(ONi)	125.6799	1.683	8	125.6799	2.831	8	125.6799	2.831	8	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:S-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(SCW)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(SW)	C(C[6a]C[6a]2)(CC[6a]S)(SCW)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(SW)	129.5690	0.000	1	129.5690	0.000	1	127.0847	1.295	15	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:S-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(SCo2)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(SCo)	C(C[6a]C[6a]2)(CC[6a]S)(SCo2)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(SCo)	127.6103	1.846	3	127.6103	3.406	3	127.0847	1.295	15	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:S-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(SFe2)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(SFe)	C(C[6a]C[6a]2)(CC[6a]S)(SFe2)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(SFe)	126.8054	0.772	5	126.8054	0.597	5	127.0847	1.295	15	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:S-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(SMoNi)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(SMo)	C(C[6a]C[6a]2)(CC[6a]S)(SMoNi)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(SMo)	126.6405	0.264	6	126.6405	0.070	6	127.0847	1.295	15	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(OC)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[5])(OC)	121.6480	0.000	1	121.6480	0.000	1	121.6480	0.000	1	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(OC[6a])	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CC[6a]C){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]2)(OC[6a])	128.9300	0.000	1	128.9300	0.000	1	128.9300	0.000	1	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CCC)(OB)	C(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CCC)(OB)	121.9510	2.185	5	121.9510	4.775	5	121.7746	5.329	7	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CRuH)(OC)	C(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CRuH)(OC)	121.3335	3.511	2	121.3335	12.326	2	121.7746	5.329	7	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:S-2:	C(C[6a]C[6a]2)2(CCS)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CCN)(SC)	C(C[6a]C[6a]2)2(CCS)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CCN)(SC)	122.7055	2.205	2	122.7055	4.864	2	122.7055	4.864	2	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:O-2:	C(C[6a]C[6a]2)2(CC[5a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[5a]C[5a]N[5a])(CC[6a]2)(OC)	C(C[6a]C[6a]2)2(CC[5a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a]2)(OC)	121.7825	0.952	2	121.7825	0.907	2	121.7825	0.907	2	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CN)	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(CN)	121.9329	1.225	24	121.9329	1.501	24	121.9329	1.501	24	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(OC[6a])	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(OC[6a])	117.2110	0.000	1	117.2110	0.000	1	120.9895	8.182	4	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(OC)	C(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(OC)	120.9530	0.000	1	120.9530	0.000	1	120.9895	8.182	4	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(OC)	C(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(OC)	121.6740	0.000	1	121.6740	0.000	1	120.9895	8.182	4	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(OP[6])	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(OP[6])	124.1200	0.000	1	124.1200	0.000	1	120.9895	8.182	4	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)2(CC[6a]S)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(SC[6a])	C(C[6a]C[6a]2)2(CC[6a]S)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(SC[6a])	122.4802	1.175	4	122.4802	1.382	4	122.4802	1.382	4	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:S-2:	C(C[6a]C[6a]2)(NC[6a]H)(CCS)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(COO)(SC)	C(C[6a]C[6a]2)(NC[6a]H)(CCS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(COO)(SC)	121.6787	1.838	3	121.6787	3.378	3	121.6787	3.378	3	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:C-2:	C(C[6a]C[6a]2)(NC[6a]H)(CCN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(NOO)(CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NOO)(CN)	117.2620	0.000	1	117.2620	0.000	1	117.2620	0.000	1	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	N[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]S)	C[6a](C[6a]C[6a]H)2(CN[5]C)	C(C[6a]C[6a]2)(CC[6a]N[5])(SC)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]S)	C[6a](C[6a]C[6a]H)2(CN[5]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N[5])(SC)	125.0100	0.000	1	125.0100	0.000	1	125.0100	0.000	1	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6a]-3:S-2:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]S)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	C(CC[6a]N[5a])(C[6a]C[6a]2)(SC)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]S)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	C(CC[6a]N[5a])(C[6a]C[6a]2)(SC)	126.8680	0.000	1	126.8680	0.000	1	126.8680	0.000	1	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	N[6]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CN[6]C)	C(C[6a]C[6a]2)(CC[6a]N[6])(OH)	C(N[6]C[6,6]C[6])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CN[6]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N[6])(OH)	125.1285	1.248	2	125.1285	1.558	2	125.1285	1.558	2	122.0964	9.938	128	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	B[5a]-3:C-3:C[6a]-3:	C(B[5a]O[5a]2)(CB[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CB[5a]C)	C(B[5a]O[5a]2)(CB[5a]C[6a])(C[6a]C[6a]2)	C(B[5a]O[5a]2)(CB[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CB[5a]C){1|C<3>,2|H<1>}	C(B[5a]O[5a]2)(CB[5a]C[6a])(C[6a]C[6a]2)	123.8435	0.026	2	123.8435	0.001	2	123.8435	0.001	2	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	B[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6a]-3:B[5]-3:	C(B[5a]N[5a]2)(C[6a]C[6a]2)(CC[6a]B[5])	C[6a](C[6a]C[6a]H)2(CB[5a]C)	C(CB[5a]C[6a])(C[6a]C[6a]2)(B[5]O[5]2)	C(B[5a]N[5a]2)(C[6a]C[6a]2)(CC[6a]B[5])	C[6a](C[6a]C[6a]H)2(CB[5a]C){1|C<3>,2|H<1>}	C(CB[5a]C[6a])(C[6a]C[6a]2)(B[5]O[5]2)	125.1740	0.000	1	125.1740	0.000	1	125.1740	0.000	1	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C-3:C[6a]-3:B[5]-3:	C[6a]-3:C[6a]-3:C-3:	B[5a]-3:C[6a]-3:C-3:	C(CB[5a]C[6a])(C[6a]C[6a]2)(B[5]O[5]2)	C[6a](C[6a]C[6a]H)2(CB[5]C)	C(B[5a]N[5a]2)(C[6a]C[6a]2)(CC[6a]B[5])	C(CB[5a]C[6a])(C[6a]C[6a]2)(B[5]O[5]2)	C[6a](C[6a]C[6a]H)2(CB[5]C){1|C<3>,2|H<1>}	C(B[5a]N[5a]2)(C[6a]C[6a]2)(CC[6a]B[5])	123.8500	0.000	1	123.8500	0.000	1	123.8500	0.000	1	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:C-3:	C(CC[5a]C[6a])(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]C)	C(CC[5a]C[6a])(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]C)	125.1160	0.000	1	125.1160	0.000	1	125.1160	0.000	1	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:C-3:	C(CC[5a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]2)	C(CC[5a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]2)	122.6980	2.973	2	122.6980	8.837	2	122.5412	3.421	4	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:C-3:	C(CC[5a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(CC[6a]2)	C(CC[5a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(CC[6a]2)	122.3845	1.152	2	122.3845	1.327	2	122.5412	3.421	4	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[6a]-3:C-3:	C(CC[6a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]2)	C(CC[6a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]2)	121.7562	0.611	4	121.7562	0.374	4	121.7562	0.374	4	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[6a]-3:C-3:	C(CC[6a]N[5a])(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a]H)2(CCN)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]N)	C(CC[6a]N[5a])(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]N)	122.8140	0.000	1	122.8140	0.000	1	122.8140	0.000	1	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:C-3:	C(C[5]C[5]N[5])(CC[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]C[5])	C(C[5]C[5]N[5])(CC[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|C<4>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]C[5])	116.6820	0.000	1	116.8960	0.205	3	116.8960	0.205	3	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:C-3:	C(C[5]C[5]N[5])(CC[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]C[5])	C(C[5]C[5]N[5])(CC[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]C[5])	117.0030	0.584	2	116.8960	0.205	3	116.8960	0.205	3	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[6a]-3:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CC[6a]C[5])	116.2220	0.709	2	116.2220	0.502	2	116.2220	0.502	2	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[5]N[5,5]S[5])(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(CC[6a]C)	C(C[5]N[5,5]S[5])(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[5])(CC[6a]C)	124.4055	0.319	2	124.4055	0.102	2	124.4055	0.102	2	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C[6a]-3:	C(C[5a]C[5a,6a]N[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(C[5a]C[5a,6a]N[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	C(C[5a]C[5a,6a]N[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	116.9990	2.514	2	116.9990	6.323	2	118.8942	12.169	18	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(C[5a]C[5a]N[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	C(C[5a]C[5a]N[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	116.1063	1.915	8	116.1063	3.667	8	118.8942	12.169	18	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C[6a]-3:	C(C[5a]C[5a]O[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(C[5a]C[5a]O[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	C(C[5a]C[5a]O[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	122.3632	1.617	5	122.3632	2.615	5	118.8942	12.169	18	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C[6a]-3:	C(C[5a]C[5a]S[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(C[5a]C[5a]S[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	C(C[5a]C[5a]S[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	120.9290	2.172	2	120.9290	4.719	2	118.8942	12.169	18	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C[6a]-3:	C(C[5a]N[5a]O[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(C[5a]N[5a]O[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	C(C[5a]N[5a]O[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(C[5a]N[5a]O[5a])(CC[5a]C[6a])(C[6a]C[6a]2)	123.5730	0.000	1	123.5730	0.000	1	118.8942	12.169	18	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(CC[6a]O)(CHO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CC[6a]O)(CHO)	121.1610	0.000	1	121.1610	0.000	1	121.1610	0.000	1	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(C[6a]C[6a]2)(CNO)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(C[6a]C[6a]2)(CNO)	123.8420	0.000	1	123.8420	0.000	1	123.8420	0.000	1	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(C[6a]C[6a]2)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(C[6a]C[6a]2)2	122.1020	0.000	1	122.1020	0.000	1	122.4825	0.290	2	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6a]-3:C[6a]-3:	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(C[6a]C[6a]2)2	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(C[6a]C[6a]2)2	122.8630	0.000	1	122.8630	0.000	1	122.4825	0.290	2	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(C[5]C[5]N[5])(CC[5a]C[6a])(C[6a]C[6a]2)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|C<4>}	C(C[5]C[5]N[5])(CC[5a]C[6a])(C[6a]C[6a]2)	117.4490	0.000	1	117.6460	0.029	3	117.6460	0.029	3	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(C[5]C[5]N[5])(CC[5a]C[6a])(C[6a]C[6a]2)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(C[5]C[5]N[5])(CC[5a]C[6a])(C[6a]C[6a]2)	117.7445	0.028	2	117.6460	0.029	3	117.6460	0.029	3	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(C[5a]C[5a]O[5a])(CC[5a]C[6a])(CNO)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[5a]C)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(CC[5a]C[6a])(CNO)	122.2600	0.000	1	122.2600	0.000	1	122.2600	0.000	1	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C[6a]-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(C[6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[6a]C[6a]2)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[6a]C[6a]2)	117.9220	0.000	1	117.9220	0.000	1	117.9220	0.000	1	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:B-3:C-3:	C(C[6a]C[6a]2)(BC[5]N)(CBC)	C[6a](C[6a]C[6a]H)2(CBC)	C(CC[6a]B)(BC[5]N)(CPtC)	C(C[6a]C[6a]2)(BC[5]N)(CBC)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	C(CC[6a]B)(BC[5]N)(CPtC)	125.0500	0.174	2	125.0500	0.030	2	125.0500	0.030	2	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(BC[6a]C)(CC[6a]C)	C[6a](C[6a]C[6a]F)2(CBC)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]C)(CC[6a]C)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	117.0907	0.481	3	117.0907	0.232	3	122.8359	9.598	21	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(BC[6a]N)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]N)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	123.8775	1.858	4	123.8775	3.452	4	122.8359	9.598	21	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(BC[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	123.7694	2.246	14	123.7694	5.044	14	122.8359	9.598	21	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]F)2(CBC)	C(C[6a]C[6a]2)2(CC[6a]B)	C(C[6a]C[6a]2)(BC[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)2(CC[6a]B)	121.4520	1.259	2	121.4520	1.584	2	121.4520	1.584	2	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:B[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:B[5]-3:	C(C[6a]C[6a]2)(CC[6a]B[5])(B[5]O[5]2)	C[6a](C[6a]C[6a]H)2(CB[5]C)	C(C[6a]C[6a]2)(CC[6a]B[5])(B[5]O[5]2)	C(C[6a]C[6a]2)(CC[6a]B[5])(B[5]O[5]2)	C[6a](C[6a]C[6a]H)2(CB[5]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]B[5])(B[5]O[5]2)	123.9270	0.150	2	123.9270	0.022	2	123.9270	0.022	2	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a,6a]2)(CCC)(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCC)	C(CC[6a]C)(CCC)(COO)	C(C[6a]C[6a,6a]2)(CCC)(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCC){2|H<1>,5|C<3>}	C(CC[6a]C)(CCC)(COO)	117.9370	0.000	1	117.9370	0.000	1	117.9370	0.000	1	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a,6a]C[6a])(CCC)(CCN)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CCC)(NCS)	C(C[6a]C[6a,6a]C[6a])(CCC)(CCN)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCC){2|H<1>,3|C<3>}	C(CC[6a]C)(CCC)(NCS)	117.8980	1.345	2	117.8980	1.809	2	117.8980	1.809	2	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(COO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(COO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCC){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]C)(COO)	124.7940	0.000	1	124.7940	0.000	1	124.7940	0.000	1	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	B-3:C-3:C-3:	C(C[6a]C[6a]2)(CSiC)(CBC)	C[6a](C[6a]C[6a]F)2(CCC)	C(BC[6a]Br)(CC[6a]C)(CSiC)	C(C[6a]C[6a]2)(CSiC)(CBC)	C[6a](C[6a]C[6a]F)2(CCC){1|C<3>,2|F<1>}	C(BC[6a]Br)(CC[6a]C)(CSiC)	113.5590	0.000	1	113.5590	0.000	1	113.4295	0.034	2	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	B-3:C-3:C-3:	C(C[6a]C[6a]2)(CSiC)(CBC)	C[6a](C[6a]C[6a]F)2(CCC)	C(BC[6a]Cl)(CC[6a]C)(CSiC)	C(C[6a]C[6a]2)(CSiC)(CBC)	C[6a](C[6a]C[6a]F)2(CCC){1|C<3>,2|F<1>}	C(BC[6a]Cl)(CC[6a]C)(CSiC)	113.3000	0.000	1	113.3000	0.000	1	113.4295	0.034	2	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	B[5]-3:C-3:C-3:	C(C[6a]C[6a]2)(CB[5]Te)(CB[5]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(B[5]O[5]2)(CC[6a]Te)(CC[6a]C)	C(C[6a]C[6a]2)(CB[5]Te)(CB[5]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(B[5]O[5]2)(CC[6a]Te)(CC[6a]C)	119.1400	0.000	1	119.1400	0.000	1	119.1400	0.000	1	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:B-3:	C(C[6a]C[6a]2)(CSiC)(CBC)	C[6a](C[6a]C[6a]F)2(CCC)	C(CC[6a]C)(CSiC)(BOO)	C(C[6a]C[6a]2)(CSiC)(CBC)	C[6a](C[6a]C[6a]F)2(CCC){1|C<3>,2|F<1>}	C(CC[6a]C)(CSiC)(BOO)	114.7830	0.000	1	114.7830	0.000	1	114.7830	0.000	1	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCC)	C(CC[6a]C)(CCC)(COO)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCC){3|C<3>}	C(CC[6a]C)(CCC)(COO)	115.4810	0.000	1	115.4810	0.000	1	118.3476	10.622	23	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[5a]O)(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[5a]O)(CC[6a]C)(CC[6a]O)	120.5860	0.000	1	120.5860	0.000	1	118.3476	10.622	23	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCC)2	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCC)2	118.1390	1.298	3	118.1390	1.685	3	118.3476	10.622	23	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCN)(COO)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCN)(COO)	118.5300	0.000	1	118.5300	0.000	1	118.3476	10.622	23	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCO)2	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCO)2	117.1350	1.673	3	117.1350	2.798	3	118.3476	10.622	23	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6a]N)(CCN)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]N)(CCN)	116.3450	0.000	1	116.3450	0.000	1	118.3476	10.622	23	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCC)(CHS)	C(C[6a]C[6a]2)(CCC)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCC)(CHS)	117.2880	0.000	1	117.2880	0.000	1	118.3476	10.622	23	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)(COO)	C(C[6a]C[6a]2)(CCC)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(COO)	117.9440	0.000	1	117.9440	0.000	1	118.3476	10.622	23	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(CHS)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCO)(CHH)	C(C[6a]C[6a]2)(CCC)(CHS)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCO)(CHH)	117.3280	0.704	2	117.3280	0.496	2	118.3476	10.622	23	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(COO)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CIrC)(COO)	C(C[6a]C[6a]2)(CCC)(COO)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CIrC)(COO)	126.9670	0.000	2	126.9670	0.000	2	118.3476	10.622	23	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[5]C)(CCC)	C(C[6a]C[6a]2)(CC[6]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[5]C)(CCC)	118.1050	0.000	1	118.1050	0.000	1	118.3476	10.622	23	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCC)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCC)(COO)	117.6640	0.000	1	117.6640	0.000	1	118.3476	10.622	23	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(COO)	115.2570	0.000	1	115.2570	0.000	1	118.3476	10.622	23	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[5a]O)(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[5a]O)(CC[6a]C)(CC[6a]O)	118.1260	0.000	1	118.1260	0.000	1	118.3476	10.622	23	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]2)(CC[6a]C)(CHN)	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]C)(CHN)	113.0950	0.000	1	113.0950	0.000	1	118.3476	10.622	23	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6a]O)2	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]O)2	117.3790	0.000	1	117.3790	0.000	1	118.3476	10.622	23	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]Ir)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CIrC)(COO)	C(C[6a]C[6a]2)(CC[6a]Ir)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CIrC)(COO)	121.7820	0.000	1	121.7820	0.000	1	118.3476	10.622	23	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(CCH)(CCN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CHO)(NSS)	C(C[6a]C[6a]2)(CCH)(CCN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CHO)(NSS)	118.6910	0.000	1	118.6910	0.000	1	116.7690	7.388	2	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)2(NCH)	C(C[6a]C[6a]2)(CC[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)2(NCH)	114.8470	0.000	1	114.8470	0.000	1	116.7690	7.388	2	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:N-3:	C(C[6a]C[6a]2)(CC[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NC[6a]H)(NCH)	C(C[6a]C[6a]2)(CC[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a]H)(NCH)	114.2110	0.000	1	114.2110	0.000	1	114.2110	0.000	1	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-3:C-3:	C(C[6a]C[6a]2)(CRuS)(CCS)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(SRuC)(CCC)	C(C[6a]C[6a]2)(CRuS)(CCS)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(SRuC)(CCC)	119.4485	0.402	2	119.4485	0.162	2	119.4485	0.162	2	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5]N[5,5]S[5])(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5]N[5,5]S[5])(C[6a]C[6a]2)(CC[6a]C)	117.6620	0.197	2	117.6620	0.039	2	117.6620	0.039	2	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[5a]N)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5a]C[5a]N[5a])(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CC[5a]N)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a]C)(NC[6a]H)	121.8500	0.000	1	121.8500	0.000	1	121.8500	0.000	1	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6]C[6]N[6])(CC[6a]C)(COO)	C(C[6a]C[6a]2)(CC[6]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]C)(COO)	117.8670	0.000	1	117.8670	0.000	1	119.9140	15.806	3	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6]C)(COO)	C[6a](C[6a]C[6a]C)2(CCC)	C(C[6]N[6]2)(CC[6a]C)(COO)	C(C[6a]C[6a]2)(CC[6]C)(COO)	C[6a](C[6a]C[6a]C)2(CCC){1|C<3>,2|H<1>}	C(C[6]N[6]2)(CC[6a]C)(COO)	124.4960	0.000	1	124.4960	0.000	1	119.9140	15.806	3	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]Sn)(CC[6]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6]C[6]2)(CC[6a]Sn)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Sn)(CC[6]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]Sn)(CC[6a]C)	117.3790	0.000	1	117.3790	0.000	1	119.9140	15.806	3	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:B-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C[6a](C[6a]C[6a]F)2(CCC)	C(C[6a]C[6a]2)(BC[6a]C)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C[6a](C[6a]C[6a]F)2(CCC){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(BC[6a]C)(CC[6a]C)	118.4557	0.711	4	118.4557	0.505	4	123.2234	9.331	22	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:B-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(BC[6a]N)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(BC[6a]N)(CC[6a]C)	126.0697	0.993	4	126.0697	0.985	4	123.2234	9.331	22	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:B-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(BC[6a]O)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(BC[6a]O)(CC[6a]C)	123.7723	2.218	14	123.7723	4.918	14	123.2234	9.331	22	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[5a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[5a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[5a]H)(CC[6a]C)	118.3997	0.552	3	118.3997	0.305	3	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(CC[6a]C)	117.7375	4.875	6	117.7375	23.762	6	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C[6a](C[6a]C[6a]F)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C[6a](C[6a]C[6a]F)2(CCC){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CC[6a]C)2	114.7318	0.902	5	114.7318	0.814	5	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	116.9680	0.572	5	116.9680	0.327	5	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)2	115.5065	1.823	18	115.5065	3.323	18	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C[6])(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[6])(CC[6a]C)	116.1170	0.000	1	116.1170	0.000	1	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B[5])(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C[5])(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B[5])(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[5])(CC[6a]C)	114.6470	0.509	2	114.6470	0.259	2	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CAlSi)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CAlSi)	C(C[6a]C[6a]2)(CC[6a]C)(CAlSi)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CAlSi)	117.6665	0.162	2	117.6665	0.026	2	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]C)(CCC){5|C<3>}	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	118.3075	0.564	2	118.3075	0.318	2	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]H)(CCC){5|C<3>}	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	119.0542	1.667	4	119.0542	2.778	4	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	118.9149	3.074	16	118.9149	9.448	16	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	115.9625	0.634	2	115.9625	0.402	2	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	118.7995	0.701	2	118.7995	0.491	2	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	114.4565	1.112	2	114.4565	1.237	2	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CHP)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CHP)	115.2290	0.000	1	115.2290	0.000	1	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CSiH)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CSiH)	116.3280	0.000	1	116.3280	0.000	1	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	118.2280	0.351	5	118.2280	0.123	5	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	118.1735	0.380	2	118.1735	0.144	2	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)2	116.5510	0.000	1	116.5510	0.000	1	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]N)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]N)	115.7565	1.003	2	115.7565	1.007	2	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]O)	124.2830	0.240	2	124.2830	0.058	2	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CHH)	C(C[6a]C[6a]2)(CC[6a]C)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CHH)	118.9055	0.040	2	118.9055	0.002	2	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CHI)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CHI)	C(C[6a]C[6a]2)(CC[6a]C)(CHI)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CHI)	116.3980	0.997	2	116.3980	0.994	2	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CHP)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(CHP)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	116.4750	0.000	1	116.4750	0.000	1	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CMnC)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CMnC)	C(C[6a]C[6a]2)(CC[6a]C)(CMnC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CMnC)	122.7225	0.327	4	122.7225	0.107	4	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)2	124.7623	1.417	3	124.7623	2.007	3	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CNS)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]C)(CNS)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)2	122.0053	2.355	3	122.0053	5.545	3	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCC){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(COO)	122.3690	0.000	1	122.3690	0.000	1	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(COO)	121.4848	7.639	9	121.4848	58.354	9	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]N[6a])(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]C)(CC[6a]O)	126.6700	0.000	1	126.6700	0.000	1	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CP[6]Co)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CP[6]Co)	C(C[6a]C[6a]2)(CC[6a]C)(CP[6]Co)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CP[6]Co)	118.1250	1.954	2	118.1250	3.820	2	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CRhO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CRhO)	C(C[6a]C[6a]2)(CC[6a]C)(CRhO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CRhO)	126.3765	1.248	2	126.3765	1.558	2	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CRuC)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CRuC)	C(C[6a]C[6a]2)(CC[6a]C)(CRuC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CRuC)	118.8245	2.556	2	118.8245	6.534	2	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CSiH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(CSiH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	114.8060	0.000	1	114.8060	0.000	1	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CSiSn)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CSiSn)	C(C[6a]C[6a]2)(CC[6a]C)(CSiSn)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(CC[6a]C)(CSiSn)	117.6065	0.175	2	117.4317	0.107	3	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CSiSn)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CSiSn)	C(C[6a]C[6a]2)(CC[6a]C)(CSiSn)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CSiSn)	117.0820	0.000	1	117.4317	0.107	3	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]F)2(CCC)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]F)2(CCC){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	114.8194	0.516	5	114.8194	0.266	5	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]F)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]F)2(CCC){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CC[6a]C)2	117.8404	0.440	5	117.8404	0.194	5	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	115.5653	2.017	18	115.5653	4.068	18	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	113.8660	0.000	1	113.8660	0.000	1	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	121.2897	0.875	3	121.2897	0.766	3	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CNS)	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CNS)	121.9053	2.462	3	121.9053	6.063	3	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)2	120.1620	3.991	6	120.1620	15.927	6	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]Si)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]Si)(CC[6a]C)	114.6320	0.000	1	114.6320	0.000	1	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]B[5])(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]B[5])(CC[6a]C)	113.8235	0.060	2	113.8235	0.004	2	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C[6])(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[6])(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	113.8920	0.000	1	113.8920	0.000	1	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]Pt)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]Pt)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Pt)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]Pt)(CC[6a]C)	120.0690	0.642	2	120.0690	0.412	2	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]Ru)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]Ru)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Ru)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]Ru)(CC[6a]C)	119.4035	0.863	2	119.4035	0.745	2	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]Si)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]Si)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)2	115.0030	0.000	1	115.0030	0.000	1	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]Sn)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]Sn)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Sn)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]Sn)(CC[6a]C)	118.8120	0.443	4	118.8120	0.197	4	118.0302	13.623	174	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(NThN)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(NThN)	119.5965	0.503	2	119.5965	0.253	2	121.7071	2.323	7	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	123.0145	0.054	2	123.0145	0.003	2	121.7071	2.323	7	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(CHO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CC[6a]N)(CHO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(NCH)	122.5290	0.024	2	122.5290	0.001	2	121.7071	2.323	7	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(CRuO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(NRuH)	C(C[6a]C[6a]2)(CC[6a]N)(CRuO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(NRuH)	121.6700	0.000	1	121.6700	0.000	1	121.7071	2.323	7	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CCN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]C)	125.8280	0.000	1	125.8280	0.000	1	123.9257	9.411	18	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]C)	121.4675	3.821	6	121.4675	14.603	6	123.9257	9.411	18	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CNN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]C)	126.5920	0.000	1	126.5920	0.000	1	123.9257	9.411	18	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]C)	125.6412	1.891	4	125.6412	3.575	4	123.9257	9.411	18	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)2(CC[6a]C)	125.9330	0.000	1	125.9167	0.139	3	123.9257	9.411	18	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]C)	125.9085	0.527	2	125.9167	0.139	3	123.9257	9.411	18	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CPdN)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CPdN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]C)	123.0407	1.220	3	123.0407	1.488	3	123.9257	9.411	18	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C[5]-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(C[5]S[5]2)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]C){2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(C[5]S[5]2)	120.0720	0.598	2	120.0720	0.358	2	120.0720	0.358	2	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C[5]-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	118.5760	0.000	1	118.5760	0.000	1	118.9332	4.146	9	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C[5]-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5]C){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	117.5600	0.000	1	117.5600	0.000	1	118.9332	4.146	9	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C[5]-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	119.8353	2.938	4	119.1804	5.122	7	118.9332	4.146	9	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C[5]-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	117.9730	0.412	2	119.1804	5.122	7	118.9332	4.146	9	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C[5]-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a]C[6a]H)2(CC[5]C){3|C<3>}	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	118.9760	0.000	1	119.1804	5.122	7	118.9332	4.146	9	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C[6]-3:	C(C[6a]C[6a]2)(CC[6a]C[6])(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6a]C[6a]2)(CC[6a]C[6])(C[6]C[6]2)	C(C[6a]C[6a]2)(CC[6a]C[6])(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[6])(C[6]C[6]2)	122.7250	0.288	4	122.7250	0.083	4	122.7250	0.083	4	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]C){1|O<2>,2|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]2)	127.5930	0.000	1	127.5930	0.000	1	127.5930	0.000	1	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC[6a]2)	118.5720	0.000	1	118.5720	0.000	1	118.5720	0.000	1	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCO)(COO)	121.9540	0.000	1	121.9540	0.000	1	121.6667	2.181	10	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CC[6a]O)(CCC)	120.6600	0.000	1	120.6600	0.000	1	121.6667	2.181	10	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CC[6a]O)(CCO)	119.9900	0.000	1	119.9900	0.000	1	121.6667	2.181	10	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CC[6a]O)2	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CC[6a]O)2	120.9650	0.000	1	120.9650	0.000	1	121.6667	2.181	10	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(NHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCN)	C(CC[6a]N)(CNN)(CNO)	C(C[6a]C[6a]2)(CCC)(NHH)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CNN)(CNO)	119.8210	0.000	1	119.8210	0.000	1	121.6667	2.181	10	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN)	C(CC[6a]N)(CNN)(CNO)	C(C[6a]C[6a]2)(CCC)(NHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CNN)(CNO)	120.5570	0.000	1	120.5570	0.000	1	121.6667	2.181	10	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(NHH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(NHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCO)(COO)	123.5890	0.000	1	123.5890	0.000	1	121.6667	2.181	10	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(NHH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CNN)(CNO)	C(C[6a]C[6a]2)(CCC)(NHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CNN)(CNO)	123.0437	0.779	3	123.0437	0.606	3	121.6667	2.181	10	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6]N)(NCuN)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6]C[6]2)(CC[6a]N)(NCuN)	C(C[6a]C[6a]2)(CC[6]N)(NCuN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]N)(NCuN)	122.4360	0.000	1	122.4360	0.000	1	122.4360	0.000	1	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(CHO)	C(C[6a]C[6a]2)(CC[6a]C)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(CHO)	122.6810	0.325	2	122.6810	0.106	2	122.8424	1.434	7	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	124.0370	0.181	2	124.0370	0.033	2	122.8424	1.434	7	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(NRuH)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(CRuO)	C(C[6a]C[6a]2)(CC[6a]C)(NRuH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(CRuO)	123.7980	0.000	1	123.7980	0.000	1	122.8424	1.434	7	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(NThN)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]N)	C(C[6a]C[6a]2)(CC[6a]C)(NThN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]N)	121.3315	0.288	2	121.3315	0.083	2	122.8424	1.434	7	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(NCoO)	C[6a](C[6a]C[6a]C)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(NCoO)	C(C[6a]C[6a]2)(CC[6a]N)(NCoO)	C[6a](C[6a]C[6a]C)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(NCoO)	125.1484	0.933	20	125.1484	0.871	20	123.9182	3.670	88	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(NCoO)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(NCoO)	C(C[6a]C[6a]2)(CC[6a]N)(NCoO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(NCoO)	124.1753	1.073	30	124.1753	1.152	30	123.9182	3.670	88	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(NFeO)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(NFeO)	C(C[6a]C[6a]2)(CC[6a]N)(NFeO)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(NFeO)	124.0535	0.838	30	124.0535	0.702	30	123.9182	3.670	88	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(NNiN)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(NNiN)	C(C[6a]C[6a]2)(CC[6a]N)(NNiN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(NNiN)	122.9140	0.296	2	122.9140	0.087	2	123.9182	3.670	88	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(NZnN)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(NZnN)	C(C[6a]C[6a]2)(CC[6a]N)(NZnN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(NZnN)	118.1900	1.856	6	118.1900	3.445	6	123.9182	3.670	88	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(C[6a]C[6a]2)2(CC[6a]N)	C(C[6a]C[6a]2)(CC[6a]2)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)2(CC[6a]N)	121.4670	0.000	1	121.4670	0.000	1	121.4670	0.000	1	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:C-3:	C(C[6a]C[6a]2)(CN[5]C)(NHH)	C[6a](C[6a]C[6a]H)2(CCN)	C(N[5]C[5]2)(CC[6a]N)(COO)	C(C[6a]C[6a]2)(CN[5]C)(NHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CC[6a]N)(COO)	121.4925	1.875	2	121.4925	3.514	2	121.4925	3.514	2	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:S-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-3:	C(C[6a]C[6a]2)(CC[6a]S)(SMoNi)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(SMoNi)	C(C[6a]C[6a]2)(CC[6a]S)(SMoNi)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(SMoNi)	127.9428	0.869	4	127.9428	0.756	4	127.9428	0.756	4	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]2)2(CC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a,6a]2)2(CC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]C){2|H<1>,5|C<3>}	C(C[6a]C[6a]2)2(CC[6a]2)	121.5693	0.685	6	121.5693	0.469	6	121.5693	0.469	6	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2)	118.3390	0.799	2	118.3390	0.638	2	120.0806	5.692	5	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)2(CC[6a]2)	119.7980	0.000	1	119.7980	0.000	1	120.0806	5.692	5	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])2(CC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])2(CC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)2(CC[6a]2)	121.9635	2.982	2	121.9635	8.892	2	120.0806	5.692	5	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:B[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]B[6a]C[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a,6a]H)(B[6a]N[6a]O)(CC[6a]C)	C(C[6a]B[6a]C[6a])(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]B[6a]C[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a,6a]H)(B[6a]N[6a]O)(CC[6a]C){1|H<1>,2|C<3>}	C(C[6a]B[6a]C[6a])(C[6a]C[6a]2)(CC[6a]2)	128.5415	0.485	4	128.5415	0.235	4	128.5415	0.235	4	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CCC)(COO)	C(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CCC)(COO)	121.6955	1.317	2	121.6955	1.735	2	121.9792	0.955	8	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CCH)(CCP)	C(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CCH)(CCP)	122.4110	2.022	2	122.4110	4.090	2	121.9792	0.955	8	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CC[6a]C)(CHN)	C(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]C)(CHN)	121.9940	0.390	2	121.9940	0.152	2	121.9792	0.955	8	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CC[6a]N)(CCO)	C(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]N)(CCO)	121.8165	0.349	2	121.8165	0.122	2	121.9792	0.955	8	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)2(CCN)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CCN)(NOO)	C(C[6a]C[6a]2)2(CCN)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CCN)(NOO)	121.5035	3.907	2	121.5035	15.263	2	122.2735	6.605	4	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)2(CCN)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CC[6a]O)(NHS)	C(C[6a]C[6a]2)2(CCN)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC[6a]O)(NHS)	123.0435	1.477	2	123.0435	2.182	2	122.2735	6.605	4	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:N-3:	C(C[6a]C[6a]2)2(CNN)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(NOO)2	C(C[6a]C[6a]2)2(CNN)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(NOO)2	120.9390	0.057	2	120.9390	0.003	2	120.9390	0.003	2	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)2(CC[6]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6]C[6]N[6])2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])2(CC[6a]2)	123.0075	1.614	2	123.0075	2.606	2	123.0075	2.606	2	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:B-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]B)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]2)(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]B)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(BC[6a]2)(CC[6a]2)	121.2650	3.080	4	121.2650	9.487	4	121.2650	9.487	4	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CNN)	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]2)(CNN)	119.6610	0.000	1	119.6610	0.000	1	122.0300	5.286	38	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CNO)	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(CNO)	120.4120	2.150	4	120.4120	4.623	4	122.0300	5.286	38	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(COO)	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]2)(COO)	121.5990	0.000	1	121.5040	0.018	2	122.0300	5.286	38	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(COO)	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(COO)	121.4090	0.000	1	121.5040	0.018	2	122.0300	5.286	38	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CPdN)	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]2)(CPdN)	122.4903	1.842	3	122.4903	3.394	3	122.0300	5.286	38	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CCN)	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(CCN)	122.7410	1.141	2	122.7410	1.302	2	122.0300	5.286	38	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(CC[6a]C)	121.4310	3.052	12	121.4310	9.317	12	122.0300	5.286	38	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CNN)	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(CNN)	121.5950	0.000	1	121.5950	0.000	1	122.0300	5.286	38	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CNO)	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(CNO)	123.3675	2.356	4	123.3675	5.552	4	122.0300	5.286	38	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(COO)	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(COO)	122.5960	0.910	4	122.5960	0.828	4	122.0300	5.286	38	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CPdN)	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(CPdN)	124.2847	1.609	3	124.2847	2.588	3	122.0300	5.286	38	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]2)(CC[6a]O)	122.1975	0.530	2	122.1975	0.281	2	122.0300	5.286	38	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(NCH)	122.7170	0.000	1	122.7170	0.000	1	122.7170	0.000	1	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]B[6a]C[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]B[6a]C[6a])(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]B[6a]C[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]B[6a]C[6a])(C[6a]C[6a]2)(CC[6a]2)	116.2947	0.477	4	116.2947	0.228	4	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2)	126.5860	0.127	2	126.5860	0.016	2	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]2)	124.5370	0.000	1	124.5370	0.000	1	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	125.0963	0.513	6	125.0963	0.263	6	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6a]N[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]2)	124.8070	0.000	1	124.8070	0.000	1	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CC[6a]C){1|C<5>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]2)	121.1245	0.286	2	121.8162	1.386	4	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CC[6a]C){1|Fe<8>,1|C<3>,1|C<4>,1|C<5>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]2)	122.5080	1.471	2	121.8162	1.386	4	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)2(CC[6a]2)	122.5402	2.211	5	122.5402	4.888	5	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)2(CC[6a]2)	122.4235	0.162	2	122.4235	0.026	2	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)2(CC[6a]2)	123.8380	0.018	2	123.8380	0.000	2	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6,6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6,6a]H)2(CC[6a]C){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)2(CC[6a]2)	121.3465	2.767	4	121.3465	7.655	4	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)2(CC[6a]2)	122.5058	0.897	5	122.5058	0.805	5	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]I)(CC[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)2(CC[6a]2)	120.9780	0.000	1	120.9780	0.000	1	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(CC[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)2(CC[6a]2)	121.2800	0.000	1	121.2800	0.000	1	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)2(CC[6a]2)	122.8895	2.388	32	122.8895	5.704	32	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]2)	122.8930	0.000	1	122.8930	0.000	1	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]C)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]C)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]2)	121.6045	0.520	2	121.6045	0.270	2	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)2(CC[6a]2)	121.2957	0.380	4	121.2957	0.144	4	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]D)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]D)2(CC[6a]C){1|C<3>,2|D<1>}	C(C[6a]C[6a]2)2(CC[6a]2)	122.5969	0.824	8	122.5969	0.679	8	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)2(CC[6a]2)	122.6410	0.942	2	122.6291	2.113	16	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]2)	122.6274	1.539	14	122.6291	2.113	16	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a,6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]2)2(CC[6a]2)	122.4808	0.542	6	122.4808	0.294	6	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]2)	123.1345	2.634	2	123.1345	6.938	2	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])2(CC[6a]2)	122.9145	2.948	2	122.9145	8.690	2	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6a]N[6a]2)(CC[6a]2)	122.5455	2.524	2	122.5455	6.369	2	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)2(CC[6a]2)	121.7984	0.672	8	122.6150	1.529	891	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)2(CC[6a]2)	122.0790	0.000	1	122.6150	1.529	891	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)2(CC[6a]2)	121.9900	1.844	2	122.6150	1.529	891	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]2)	122.6416	1.218	838	122.6150	1.529	891	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)2(CC[6a]2)	122.2113	1.621	37	122.6150	1.529	891	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]2)	123.3150	1.097	3	122.6150	1.529	891	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|Si<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)2(CC[6a]2)	122.0610	1.003	2	122.6150	1.529	891	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	122.0658	2.850	4	122.0658	8.122	4	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]2)	125.5410	2.220	2	125.5410	4.930	2	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]2)	122.8145	1.242	6	122.8145	1.542	6	122.6140	1.943	1016	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C-3:	C(C[6a]C[6a]2)2(CN[5a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(N[5a]C[5a,6a]C[5a])(CC[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)2(CN[5a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(CC[6a]2)(CC[6a]O)	120.9080	1.570	2	120.9080	2.464	2	120.9080	2.464	2	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[5a]H)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN)	C(CC[6a]N)(CCO)2	C(C[6a]C[6a]2)(NC[5a]H)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCO)2	119.7310	0.000	1	119.7310	0.000	1	119.7310	0.000	1	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Ni)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a]Ni)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Ni)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]Ni)(CC[6a]N)	121.2120	0.065	2	121.2120	0.004	2	120.0303	3.501	14	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Pd)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a]Pd)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Pd)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]Pd)(CC[6a]N)	119.1660	1.309	10	119.1660	1.713	10	120.0303	3.501	14	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-3:C-3:	C(C[6a]C[6a]2)(NC[6a]Si)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(NC[6a]Si)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Si)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]Si)(CC[6a]N)	123.1700	0.327	2	123.1700	0.107	2	120.0303	3.501	14	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:P-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-3:C-3:	C(C[6a]C[6a]2)(PC[6a]Pt)(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CCP)	C(C[6a]C[6a]2)(PC[6a]Pt)(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]Pt)(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(PC[6a]Pt)(CC[6a]P)	123.7285	1.526	4	123.7285	2.330	4	122.3255	2.005	12	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:P-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-3:C-3:	C(C[6a]C[6a]2)(PC[6a]Ru)(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CCP)	C(C[6a]C[6a]2)(PC[6a]Ru)(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]Ru)(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(PC[6a]Ru)(CC[6a]P)	121.6240	0.682	8	121.6240	0.466	8	122.3255	2.005	12	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:S-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-3:C-3:	C(C[6a]C[6a]2)(SMo2)(CCS)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(SMo2)(CCS)	C(C[6a]C[6a]2)(SMo2)(CCS)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(SMo2)(CCS)	127.0545	1.521	2	127.0545	2.313	2	127.0545	2.313	2	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6a]-3:C[6a]-3:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	C(CC[6a]N[5a])(C[6a]C[6a]2)2	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	C(CC[6a]N[5a])(C[6a]C[6a]2)2	126.7420	0.533	2	126.7420	0.284	2	126.7420	0.284	2	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6a]-3:N-3:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	C(CC[6a]N[5a])(C[6a]C[6a]2)(NHH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	C(CC[6a]N[5a])(C[6a]C[6a]2)(NHH)	127.3240	0.000	1	127.3240	0.000	1	127.3240	0.000	1	121.9742	7.277	1592	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[4]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[4]Si[4]C[4])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CC[4]C)	C(CC[6a]C[4])(CC[6a]H)(CCHH)	C(C[4]Si[4]C[4])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CC[4]C){1|C<3>,2|H<1>}	C(CC[6a]C[4])(CC[6a]H)(CCHH)	118.2830	0.000	1	118.2830	0.000	1	118.2830	0.000	1	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(CC[6a]O)(CH3)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CC[6a]O)(CH3)	120.3090	0.000	1	120.3090	0.000	1	120.3090	0.000	1	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:B-3:Si-4:	C(C[6a]C[6a]2)(BC[5]N)(CSiB)	C[6a](C[6a]C[6a]H)2(CBC)	C(CC[6a]B)(BC[5]N)(SiC3)	C(C[6a]C[6a]2)(BC[5]N)(CSiB)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	C(CC[6a]B)(BC[5]N)(SiC3)	123.2475	0.807	2	123.2475	0.651	2	123.2475	0.651	2	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:B[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Si-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]Si)	C[6a](C[6a]C[6a]H)2(CB[5]C)	C(C[6a]C[6a]2)(CC[6a]B[5])(SiC[6a]CC)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]Si)	C[6a](C[6a]C[6a]H)2(CB[5]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]B[5])(SiC[6a]CC)	124.7817	1.532	3	124.7817	2.346	3	124.7817	2.346	3	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:B-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:Si-4:	C(C[6a]C[6a]2)(CC[5a]Si)(BC[6a]2)	C[6a](C[6a]C[6a]F)2(CBC)	C(C[5a]C[5a,6a]C[5a])(CC[6a]B)(SiC3)	C(C[6a]C[6a]2)(CC[5a]Si)(BC[6a]2)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	C(C[5a]C[5a,6a]C[5a])(CC[6a]B)(SiC3)	118.9230	0.000	1	118.9230	0.000	1	118.9230	0.000	1	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)2(CH3)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)2(CH3)	116.9585	0.011	2	116.9585	0.000	2	119.5253	15.907	7	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCC)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)2(CH3)	C(C[6a]C[6a]2)(CCC)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)2(CH3)	115.3190	0.000	1	115.3190	0.000	1	119.5253	15.907	7	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)2(CH3)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)2(CH3)	124.9030	0.141	2	124.9030	0.020	2	119.5253	15.907	7	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]Co)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]Co)(CC[6a]C)(CCHO)	C(C[6a]C[6a]2)(CC[6a]Co)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]Co)(CC[6a]C)(CCHO)	120.5070	0.000	1	120.5070	0.000	1	119.5253	15.907	7	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CP[6]H)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(CC[6a]C)(CC[6a]H)(CH3)	C(C[6a]C[6a]2)(CP[6]H)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]H)(CH3)	117.1280	0.000	1	117.1280	0.000	1	119.5253	15.907	7	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[5]C)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5]C[5]2)(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(CC[5]C)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5]C[5]2)(CC[6a]C)(CH3)	115.5520	0.000	1	115.5520	0.000	1	115.5520	0.000	1	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	124.7900	0.000	1	124.7900	0.000	1	125.1241	4.161	8	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	125.3620	0.000	1	125.3620	0.000	1	125.1241	4.161	8	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	125.7922	2.669	4	125.7922	7.122	4	125.1241	4.161	8	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	124.9520	0.000	1	124.9520	0.000	1	125.1241	4.161	8	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	122.7200	0.000	1	122.7200	0.000	1	125.1241	4.161	8	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Si-4:	C(C[6a]C[6a]2)(CC[6a]Si)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(SiCl2C)	C(C[6a]C[6a]2)(CC[6a]Si)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(SiCl2C)	123.4330	0.000	1	123.4330	0.000	1	123.4330	0.000	1	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:N-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-4:	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(SCOO)	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(NHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCN){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]N)(SCOO)	118.4290	0.000	1	118.4290	0.000	1	118.4290	0.000	1	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CC[6a]O)(CCHH)	125.5025	0.501	2	125.5025	0.251	2	125.5025	0.251	2	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:Si-4:	C(C[6a]C[6a]2)(CC[6]Si)(NAlSi)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6]C[6]N[6])(CC[6a]N)(SiC3)	C(C[6a]C[6a]2)(CC[6]Si)(NAlSi)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]N)(SiC3)	117.9665	0.052	2	117.9665	0.003	2	117.9665	0.003	2	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(CCHH)	126.4370	0.000	1	126.4370	0.000	1	125.0493	1.966	3	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(CC[6a]N)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N)(CCHH)	125.0780	0.000	1	125.0780	0.000	1	125.0493	1.966	3	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]N[6a]O[6a])(CC[6a]N)(CH3)	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]N[6a]O[6a])(CC[6a]N)(CH3)	123.6330	0.000	1	123.6330	0.000	1	125.0493	1.966	3	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6]C)(OZn2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO)	C(C[6]C[6]N[6])(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CC[6]C)(OZn2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]O)(CH3)	122.2290	1.031	2	122.2290	1.063	2	122.6330	0.641	5	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6]C)(OZn2)	C[6a](C[6a]C[6a]H)2(CCO)	C(C[6]C[6]N[6])(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CC[6]C)(OZn2)	C[6a](C[6a]C[6a]H)2(CCO){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]O)(CH3)	122.9023	0.692	3	122.9023	0.478	3	122.6330	0.641	5	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6a]C[6a]2)(CC[6a]C[6])(CCHH)	C(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[6])(CCHH)	122.0860	0.000	1	122.0860	0.000	1	122.0860	0.000	1	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	121.4280	0.197	2	121.4280	0.039	2	121.4280	0.039	2	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C-4:	C(C[6a]C[6a]2)2(CC[5a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[5a]C[5a]2)(CC[6a]2)(CCHH)	C(C[6a]C[6a]2)2(CC[5a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[5a]C[5a]2)(CC[6a]2)(CCHH)	122.9633	1.125	4	122.9633	1.265	4	122.9633	1.265	4	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	121.5000	0.936	2	121.5000	0.876	2	122.9180	1.156	80	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CH3)	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(CC[6a]C){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]2)(CH3)	121.4980	0.000	1	121.4980	0.000	1	122.9180	1.156	80	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]C)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]C)2(CC[6a]C){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	123.6160	0.000	1	123.6160	0.000	1	122.9180	1.156	80	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CCCH)	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(CCCH)	123.4450	1.956	2	123.4450	3.825	2	122.9180	1.156	80	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	120.8760	0.000	1	122.9760	0.926	63	122.9180	1.156	80	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	123.5960	0.000	1	122.9760	0.926	63	122.9180	1.156	80	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	122.9861	0.950	58	122.9760	0.926	63	122.9180	1.156	80	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	123.2740	0.691	3	122.9760	0.926	63	122.9180	1.156	80	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CFeCO)	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(CFeCO)	122.7335	3.224	2	122.7335	10.392	2	122.9180	1.156	80	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CH3)	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(CH3)	122.9184	1.361	7	122.9184	1.851	7	122.9180	1.156	80	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CHHN)	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(CHHN)	122.5270	0.004	2	122.5270	0.000	2	122.9180	1.156	80	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-4:	C(C[6a]C[6a]2)2(CC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(NCHH)	C(C[6a]C[6a]2)2(CC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(NCHH)	121.9450	0.000	1	121.9450	0.000	1	121.7445	0.080	2	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-4:	C(C[6a]C[6a]2)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(NCHH)	C(C[6a]C[6a]2)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(NCHH)	121.5440	0.000	1	121.5440	0.000	1	121.7445	0.080	2	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Si-4:	C(C[6a]C[6a]2)2(CC[6a]Si)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(SiC3)	C(C[6a]C[6a]2)2(CC[6a]Si)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(SiC3)	123.1540	0.000	1	123.1540	0.000	1	122.2595	4.248	4	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Si-4:	C(C[6a]C[6a]2)2(CC[6a]Si)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(SiC3)	C(C[6a]C[6a]2)2(CC[6a]Si)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(SiC3)	124.6610	0.000	1	124.6610	0.000	1	122.2595	4.248	4	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Si-4:	C(C[6a]C[6a]2)2(CC[6a]Si)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(SiC3)	C(C[6a]C[6a]2)2(CC[6a]Si)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2)(SiC3)	120.6115	0.863	2	120.6115	0.745	2	122.2595	4.248	4	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:C-4:	C(C[6a]C[6a]2)(NNiC)(CCN)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(NNiO)(CH3)	C(C[6a]C[6a]2)(NNiC)(CCN)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(NNiO)(CH3)	122.2070	0.000	1	122.2070	0.000	1	122.2070	0.000	1	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:N[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CN[6]C)	C(C[6a]C[6a]2)(CC[6a]N[6])(CCHH)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CN[6]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]N[6])(CCHH)	122.8960	0.000	1	122.8960	0.000	1	122.8960	0.000	1	122.6809	4.339	133	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(CC[6a]2N)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|C<4>}	C(CC[6a]C[5])(CC[6a]2N)(H)	119.0560	0.000	1	119.0560	0.000	1	120.8960	6.771	2	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(CH3)(H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CH3)(H)	122.7360	0.000	1	122.7360	0.000	1	120.8960	6.771	2	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-1:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(CH3)(O)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CH3)(O)	112.1605	0.274	2	112.1605	0.075	2	112.1605	0.075	2	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:B-4:H-1:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CBH)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(BC[6a]3)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CBH)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(BC[6a]3)(H)	125.2340	0.000	1	125.2340	0.000	1	125.2340	0.000	1	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(CCHO)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CCHO)(H)	123.2560	0.000	1	123.2560	0.000	1	122.8558	1.292	4	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(CCHH)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CCHH)(H)	121.5810	0.000	1	121.5810	0.000	1	122.8558	1.292	4	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(CC3)(H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CC3)(H)	123.2930	1.307	2	123.2930	1.708	2	122.8558	1.292	4	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-4:H-1:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHS)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(SC[6a]OO)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHS)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(SC[6a]OO)(H)	123.6900	0.000	1	123.6900	0.000	1	123.6900	0.000	1	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(BC[6a]2)(CCH)	C[6a](C[6a]C[6a]F)2(CBC)	C(CC[6a]B)(CC3)(H)	C(C[6a]C[6a]2)(BC[6a]2)(CCH)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	C(CC[6a]B)(CC3)(H)	124.7860	0.000	1	124.7860	0.000	1	121.8787	6.340	3	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(BC[6a]2)(CCH)	C[6a](C[6a]C[6a]F)2(CBC)	C(CC[6a]B)(CCHH)(H)	C(C[6a]C[6a]2)(BC[6a]2)(CCH)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	C(CC[6a]B)(CCHH)(H)	120.4250	0.021	2	120.4250	0.000	2	121.8787	6.340	3	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:B[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCH)	C[6a](C[6a]C[6a]H)2(CB[5]C)	C(CC[6a]B[5])(CC3)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCH)	C[6a](C[6a]C[6a]H)2(CB[5]C){1|C<3>,2|H<1>}	C(CC[6a]B[5])(CC3)(H)	125.1715	0.405	2	125.1715	0.164	2	125.1715	0.164	2	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CH3)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CH3)(H)	123.7180	1.341	2	123.7180	1.797	2	122.6702	6.855	19	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CHHO)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CHHO)(H)	120.0415	0.333	4	120.0415	0.111	4	122.6702	6.855	19	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(CHN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCCH)(H)	C(C[6a]C[6a]2)(CCH)(CHN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCCH)(H)	124.7180	0.000	1	124.7180	0.000	1	122.6702	6.855	19	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(CNO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(CNO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCC){1|H<1>,2|C<3>}	C(CC[6a]C)(CCHH)(H)	124.6440	0.000	1	124.6440	0.000	1	122.6702	6.855	19	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCFF)(H)	C(C[6a]C[6a]2)(CCH)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCFF)(H)	127.0950	0.000	1	127.0950	0.000	1	122.6702	6.855	19	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCHH)(H)	123.5405	0.702	2	123.5405	0.493	2	122.6702	6.855	19	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(CC[6a]C)(CH3)(H)	C(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CH3)(H)	123.7025	0.373	2	123.7025	0.139	2	122.6702	6.855	19	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]C)(CCHH)(H)	118.4630	0.000	1	118.4630	0.000	1	122.6702	6.855	19	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCCH)(H)	C(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCCH)(H)	120.2200	0.000	1	120.2200	0.000	1	122.6702	6.855	19	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[5a]O)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCFF)(H)	C(C[6a]C[6a]2)(CC[5a]O)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCFF)(H)	128.3420	0.000	1	128.3420	0.000	1	122.6702	6.855	19	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCCH)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCCH)(H)	121.5220	0.000	1	121.5220	0.000	1	122.6702	6.855	19	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCHH)(H)	122.4710	0.000	1	122.4710	0.000	1	122.6702	6.855	19	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]N)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCCH)(H)	C(C[6a]C[6a]2)(CC[6a]N)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCCH)(H)	121.1710	0.000	1	121.1710	0.000	1	122.6702	6.855	19	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-1:	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CH3)(O)	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CH3)(O)	121.2090	0.000	2	121.2090	0.000	2	120.3223	0.908	15	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-1:	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CH3)(O)	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CH3)(O)	120.4490	0.570	11	120.1858	0.908	13	120.3223	0.908	15	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-1:	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CH3)(O)	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC){1|N<2>,2|H<1>}	C(CC[6a]C)(CH3)(O)	118.7385	1.643	2	120.1858	0.908	13	120.3223	0.908	15	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(CHP)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(PC3)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CHP)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(PC3)(H)	120.6310	0.000	1	120.6310	0.000	1	120.6310	0.000	1	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(CSiH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(SiC3)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CSiH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(SiC3)(H)	121.9260	0.000	1	121.9260	0.000	1	123.6670	6.062	2	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:H-1:	C(C[6a]C[6a]2)(CSiH)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(SiC3)(H)	C(C[6a]C[6a]2)(CSiH)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(SiC3)(H)	125.4080	0.000	1	125.4080	0.000	1	123.6670	6.062	2	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:Ge-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:H-1:	C(C[6a]C[6a]2)(CSiH)(GeCP)	C[6a](C[6a]C[6a]H)2(CGeC)	C(CC[6a]Ge)(SiSi3)(H)	C(C[6a]C[6a]2)(CSiH)(GeCP)	C[6a](C[6a]C[6a]H)2(CGeC){1|C<3>,2|H<1>}	C(CC[6a]Ge)(SiSi3)(H)	115.8330	1.199	2	115.8330	1.438	2	115.8330	1.438	2	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CH3)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CH3)(H)	123.9930	1.980	6	123.9930	3.920	6	124.0117	2.643	11	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCHH)(H)	123.2660	0.000	1	123.2660	0.000	1	124.0117	2.643	11	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CF3)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CF3)(H)	124.6450	0.000	1	124.6450	0.000	1	124.0117	2.643	11	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CHHN)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CHHN)(H)	124.9670	0.000	1	124.9670	0.000	1	124.0117	2.643	11	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(NCS)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(NCS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCHH)(H)	122.1160	0.000	1	122.1160	0.000	1	124.0117	2.643	11	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(NHS)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCCH)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCCH)(H)	125.1770	0.000	1	125.1770	0.000	1	124.0117	2.643	11	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:B-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(CBH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(BC[6a]2C)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CBH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(BC[6a]2C)(H)	123.1295	0.162	2	123.1295	0.026	2	124.0110	1.052	4	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:B-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(CBH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(BC[6a]3)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CBH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(BC[6a]3)(H)	124.8925	0.144	2	124.8925	0.021	2	124.0110	1.052	4	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-1:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(CH3)(O)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CH3)(O)	113.7330	0.000	1	113.7330	0.000	1	113.7330	0.000	1	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(CC[6a]C[6])(CHHO)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C(CC[6a]C[6])(CHHO)(H)	120.8500	0.000	1	120.8500	0.000	1	120.8500	0.000	1	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2)(CHP)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(CC[6a]C[6])(PC[6a]2Rh)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHP)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C(CC[6a]C[6])(PC[6a]2Rh)(H)	117.0780	0.000	1	117.0780	0.000	1	117.0780	0.000	1	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]C)	C(CC[6a]2)(CH3)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]C){2|H<1>,3|C<3>}	C(CC[6a]2)(CH3)(H)	122.0310	0.000	1	122.0310	0.000	1	122.0310	0.000	1	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:F-1:	C(C[6a]C[6a]2)2(CCF)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CH3)(F)	C(C[6a]C[6a]2)2(CCF)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CH3)(F)	121.5660	1.376	2	121.5660	1.893	2	121.5660	1.893	2	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CH3)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CH3)(H)	121.2140	0.000	1	121.2140	0.000	1	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(CCHH)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]C){1|C<4>,2|C<3>}	C(CC[6a]2)(CCHH)(H)	120.9370	0.000	1	120.9370	0.000	1	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(CC3)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]2)(CC3)(H)	122.8830	5.600	2	123.1900	18.580	4	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(CC3)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC3)(H)	123.4970	4.899	2	123.1900	18.580	4	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(CCHH)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]2)(CCHH)(H)	121.2115	0.470	2	121.7878	4.472	12	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(CCHH)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CCHH)(H)	121.9030	2.314	10	121.7878	4.472	12	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(CFFH)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]2)(CFFH)(H)	119.5680	0.000	1	119.5680	0.000	1	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(CC[6a]2)(CHNO)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CHNO)(H)	119.1570	0.000	1	119.1570	0.000	1	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(CC[6a]C)	C(CC[6a]2)(CCHH)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(CC[6a]C){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C(CC[6a]2)(CCHH)(H)	119.6170	0.000	1	119.6170	0.000	1	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	C(CC[6a]2)(CCCH)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]2)(CCCH)(H)	120.7270	0.000	1	120.7270	0.000	1	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	C(CC[6a]2)(CF3)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CF3)(H)	119.3480	0.000	1	119.3480	0.000	1	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	C(CC[6a]2)(CFFH)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CFFH)(H)	121.0800	0.000	1	121.0800	0.000	1	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	C(CC[6a]2)(CH3)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CH3)(H)	118.8550	0.000	1	118.8550	0.000	1	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]C)	C(CC[6a]2)(CCHH)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]C){1|C<3>,1|H<1>}	C(CC[6a]2)(CCHH)(H)	119.8870	0.000	1	119.8870	0.000	1	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CC3)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CC3)(H)	122.4455	3.424	6	122.4455	11.726	6	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CCCH)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CCCH)(H)	120.6700	0.000	1	120.6700	0.000	1	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CCFF)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CCFF)(H)	122.3503	3.270	4	122.3503	10.692	4	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CCHH)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,1|C<4>,1|F<1>}	C(CC[6a]2)(CCHH)(H)	121.5330	0.000	1	121.7232	1.045	19	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CCHH)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]2)(CCHH)(H)	123.1500	0.000	1	121.7232	1.045	19	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CCHH)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CCHH)(H)	121.7520	1.043	15	121.7232	1.045	19	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CCHH)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|O<2>}	C(CC[6a]2)(CCHH)(H)	120.8885	0.303	2	121.7232	1.045	19	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CCHS)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CCHS)(H)	121.7705	1.875	2	121.7705	3.514	2	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CF3)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CF3)(H)	126.0960	0.000	1	126.0960	0.000	1	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CH3)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CH3)(H)	122.1225	2.024	2	122.1225	4.098	2	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CHNO)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CHNO)(H)	120.7380	0.000	1	120.7380	0.000	1	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CInHH)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CInHH)(H)	122.7735	0.733	2	122.7735	0.538	2	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(CC[6a]C)	C(CC[6a]2)(CCHH)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(CC[6a]C){4|C<3>}	C(CC[6a]2)(CCHH)(H)	120.6110	0.539	2	120.6110	0.290	2	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]O)2(CC[6a]C)	C(CC[6a]2)(CH3)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]O)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CH3)(H)	122.4150	0.000	1	122.4150	0.000	1	121.7297	4.517	67	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:H-1:	C(C[6a]C[6a]2)2(CSiH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(SiC3)(H)	C(C[6a]C[6a]2)2(CSiH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(SiC3)(H)	121.3205	1.976	2	121.3205	3.906	2	121.3205	3.906	2	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:Ga-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(GaCC)(CCH)	C[6a](C[6a]C[6a]H)2(CGaC)	C(CC[6a]Ga)(CC3)(H)	C(C[6a]C[6a]2)(GaCC)(CCH)	C[6a](C[6a]C[6a]H)2(CGaC){3|C<3>}	C(CC[6a]Ga)(CC3)(H)	125.5129	0.543	8	125.5129	0.295	8	125.5129	0.295	8	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:Ge-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:H-1:	C(C[6a]C[6a]2)(GeSiP)(CSiH)	C[6a](C[6a]C[6a]H)2(CGeC)	C(CC[6a]Ge)(SiSi3)(H)	C(C[6a]C[6a]2)(GeSiP)(CSiH)	C[6a](C[6a]C[6a]H)2(CGeC){1|C<3>,2|H<1>}	C(CC[6a]Ge)(SiSi3)(H)	118.9080	0.000	1	118.9080	0.000	1	118.9080	0.000	1	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CH3)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CH3)(H)	122.4750	0.000	1	122.4750	0.000	1	119.2262	9.062	4	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CHPP)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CHPP)(H)	120.5830	0.000	1	120.5830	0.000	1	119.2262	9.062	4	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NC[6a]Ti)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CTiCO)(H)	C(C[6a]C[6a]2)(NC[6a]Ti)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CTiCO)(H)	115.4770	0.000	1	115.4770	0.000	1	119.2262	9.062	4	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NMgH)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCHH)(H)	C(C[6a]C[6a]2)(NMgH)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCHH)(H)	118.3700	0.000	1	118.3700	0.000	1	119.2262	9.062	4	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:H-1:	C(C[6a]C[6a]2)(NC[6a]Ni)(CHP)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(PCCN)(H)	C(C[6a]C[6a]2)(NC[6a]Ni)(CHP)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(PCCN)(H)	118.3570	0.000	2	118.3570	0.000	2	118.4150	1.475	6	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:H-1:	C(C[6a]C[6a]2)(NC[6a]Ni)(CHP)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(PNiCC)(H)	C(C[6a]C[6a]2)(NC[6a]Ni)(CHP)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(PNiCC)(H)	118.4440	1.567	4	118.4440	2.455	4	118.4150	1.475	6	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:H-1:	C(C[6a]C[6a]2)(NC[6a]Li)(CSiH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(SiCCN)(H)	C(C[6a]C[6a]2)(NC[6a]Li)(CSiH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(SiCCN)(H)	118.9570	0.000	1	118.9570	0.000	1	118.9570	0.000	1	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N[5a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[3]-4:I-1:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC[3]I)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	C(CC[6a]N[5a])(C[3]C[3]2H)(I)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC[3]I)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]N[5a])(C[3]C[3]2H)(I)	131.0910	0.000	1	131.0910	0.000	1	131.0910	0.000	1	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N[5a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:I-1:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CSiI)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	C(CC[6a]N[5a])(SiC3)(I)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CSiI)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	C(CC[6a]N[5a])(SiC3)(I)	125.1690	0.000	1	125.1690	0.000	1	125.1690	0.000	1	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-4:H-1:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHS)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	C(CC[6a]N[5a])(SC[6a]OO)(H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHS)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	C(CC[6a]N[5a])(SC[6a]OO)(H)	123.4320	0.000	1	123.4320	0.000	1	123.4320	0.000	1	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	N[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CN[6a]C)	C(CC[6a]N[6a])(CH3)(H)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CN[6a]C){1|C<3>,2|H<1>}	C(CC[6a]N[6a])(CH3)(H)	124.2410	0.000	1	124.2410	0.000	1	124.2410	0.000	1	121.8242	8.292	168	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C-3:C-3:	C[5,6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[5,6a]C[6a])(CCO)(COO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CCHH)(OH)	C(C[6a]C[5,6a]C[6a])(CCO)(COO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(CC[6a]C)(CCHH)(OH)	118.5770	0.615	2	118.5770	0.378	2	118.5770	0.378	2	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C-3:C-3:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[5a,6a]C[6a])(CCO)(COO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CCHH)(OH)	C(C[6a]C[5a,6a]C[6a])(CCO)(COO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(CC[6a]C)(CCHH)(OH)	122.7130	0.000	1	122.7130	0.000	1	122.7130	0.000	1	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-2:	C(C[6a]C[6a]2)(CCC)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CH3)(CC)	C(C[6a]C[6a]2)(CCC)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CH3)(CC)	124.0130	0.000	1	124.0130	0.000	1	124.0130	0.000	1	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CH3)(OCu)	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CH3)(OCu)	119.2765	0.737	4	119.2765	0.543	4	119.2530	1.582	66	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CH3)(OH)	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CH3)(OH)	120.5930	0.000	2	120.5930	0.000	2	119.2530	1.582	66	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)2(CCC)	C(CC[6a]C)(CH3)(OIr)	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)2(CCC){1|C<3>,2|C<4>}	C(CC[6a]C)(CH3)(OIr)	118.2470	0.000	1	118.2470	0.000	1	119.2530	1.582	66	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)2(CCC)	C(CC[6a]C)(CH3)(OPt)	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)2(CCC){1|C<3>,2|C<4>}	C(CC[6a]C)(CH3)(OPt)	117.9535	1.419	2	117.9535	2.014	2	119.2530	1.582	66	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCHH)(OCu)	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC){1|H<1>,2|C<3>}	C(CC[6a]C)(CCHH)(OCu)	118.7654	0.601	15	118.7654	0.361	15	119.2530	1.582	66	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CH3)(OAl)	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC){1|N<2>,2|H<1>}	C(CC[6a]C)(CH3)(OAl)	119.6633	0.436	6	119.6633	0.190	6	119.2530	1.582	66	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CH3)(OBe)	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC){1|N<2>,2|H<1>}	C(CC[6a]C)(CH3)(OBe)	119.6615	1.768	2	119.6615	3.128	2	119.2530	1.582	66	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CH3)(OCu)	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CH3)(OCu)	119.0514	0.093	8	119.0514	0.009	8	119.2530	1.582	66	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CH3)(OFe)	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC){1|N<2>,2|H<1>}	C(CC[6a]C)(CH3)(OFe)	119.1169	0.851	12	119.1169	0.725	12	119.2530	1.582	66	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CH3)(OH)	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CH3)(OH)	120.7488	0.334	5	121.1601	1.142	7	119.2530	1.582	66	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CH3)(OH)	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC){1|N<2>,2|H<1>}	C(CC[6a]C)(CH3)(OH)	122.1885	1.856	2	121.1601	1.142	7	119.2530	1.582	66	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CH3)(OIr)	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CH3)(OIr)	117.3265	1.411	2	117.3265	1.990	2	119.2530	1.582	66	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CH3)(ONi)	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CH3)(ONi)	119.9200	0.816	2	119.9200	0.666	2	119.2530	1.582	66	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CH3)(ORh)	C(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CH3)(ORh)	118.6870	4.707	2	118.6870	22.151	2	119.2530	1.582	66	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CCHH)(OH)	C(C[6a]C[6a]2)(CC[6a]O)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,1|F<1>,1|H<1>}	C(CC[6a]C)(CCHH)(OH)	117.6630	0.000	1	117.6630	0.000	1	119.2530	1.582	66	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-4:C-2:	C(C[6a]C[6a]2)(CC[6a]O)(CCS)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(SC3)(CO)	C(C[6a]C[6a]2)(CC[6a]O)(CCS)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(SC3)(CO)	116.9750	0.000	1	116.9750	0.000	1	116.9750	0.000	1	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:C-2:	C(C[6a]C[6a]2)(C[5]N[5]2)(CSiC)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(SiC3)(CC)	C(C[6a]C[6a]2)(C[5]N[5]2)(CSiC)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(SiC3)(CC)	128.1940	0.000	1	128.1940	0.000	1	128.1940	0.000	1	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-2:	C(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CCFF)(CO)	C(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CCFF)(CO)	124.5630	2.721	2	124.5630	7.404	2	124.5630	7.404	2	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-2:	C(C[6a]C[6a]2)2(CCN)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CCHN)(NS)	C(C[6a]C[6a]2)2(CCN)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CCHN)(NS)	122.1425	1.654	2	122.1425	2.735	2	122.1425	2.735	2	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CHPP)(OZn)	C(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CHPP)(OZn)	121.2915	3.103	2	121.2915	9.632	2	121.2915	9.632	2	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:C-2:	C(C[6a]C[6a]2)2(CSiC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(SiC3)(CC)	C(C[6a]C[6a]2)2(CSiC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(SiC3)(CC)	122.5305	2.986	2	122.5305	8.917	2	122.5305	8.917	2	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-2:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	C(CC[6a]N[5a])(CH3)(CN)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	C(CC[6a]N[5a])(CH3)(CN)	126.5725	0.029	2	126.5725	0.001	2	126.5725	0.001	2	119.9261	5.253	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCC)	C(CC[6a]C)(CCHN)(CCH)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCC){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]C)(CCHN)(CCH)	119.7783	0.156	3	119.7783	0.024	3	119.1677	26.986	12	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CH3)(CCH)	C(C[6a]C[6a]2)(CCC)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CH3)(CCH)	124.9263	0.311	3	124.9263	0.097	3	119.1677	26.986	12	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CH3)(CCC)	C(C[6a]C[6a]2)(CC[6a]B)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CH3)(CCC)	112.4725	0.527	2	112.4725	0.278	2	119.1677	26.986	12	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCHH)(CClC)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCHH)(CClC)	113.9890	0.191	2	113.9890	0.036	2	119.1677	26.986	12	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]O)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCHH)(CNO)	C(C[6a]C[6a]2)(CC[6a]O)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCHH)(CNO)	126.0500	0.000	1	126.0500	0.000	1	119.1677	26.986	12	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CP[6]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CH3)(CHH)	C(C[6a]C[6a]2)(CP[6]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CH3)(CHH)	116.9250	0.000	1	116.9250	0.000	1	119.1677	26.986	12	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(CCN)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCHH)(NHS)	C(C[6a]C[6a]2)(CCN)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCHH)(NHS)	122.0010	0.000	1	122.0010	0.000	1	122.0010	0.000	1	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:C-3:	C(C[6a]C[6a]2)(CC[6a]Zr)(CSiC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(SiC3)(CZrC)	C(C[6a]C[6a]2)(CC[6a]Zr)(CSiC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(SiC3)(CZrC)	117.4720	0.000	1	117.4720	0.000	1	117.4720	0.000	1	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:B-4:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(BC[6a]NO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(BC[6a]NO)(CC[6a]C)	123.7390	0.683	2	123.7390	0.467	2	123.7390	0.467	2	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]2C)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2C)(CC[6a]C)	119.3310	0.000	1	119.3310	0.000	1	121.1500	1.925	9	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]2O)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]2O)(CC[6a]C)	119.8540	0.000	1	119.8540	0.000	1	121.1500	1.925	9	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]C)	121.5710	1.394	5	121.5710	1.944	5	121.1500	1.925	9	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]HO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]HO)(CC[6a]C)	121.6550	1.112	2	121.6550	1.236	2	121.1500	1.925	9	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(CC[6a]C[6])(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[6])(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]C)	123.2870	0.000	1	123.2870	0.000	1	123.2870	0.000	1	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:C-3:	C(C[6a]C[6a]2)(CC[6a]P)(CMoO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(PC[6a]2Mo)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]P)(CMoO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(PC[6a]2Mo)(CC[6a]C)	124.7290	0.000	1	124.7290	0.000	1	124.4535	0.152	2	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:C-3:	C(C[6a]C[6a]2)(CC[6a]P)(COW)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(PC[6a]2W)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]P)(COW)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(PC[6a]2W)(CC[6a]C)	124.1780	0.000	1	124.1780	0.000	1	124.4535	0.152	2	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCHH)(COO)	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCHH)(COO)	125.6180	0.000	1	125.6180	0.000	1	127.4080	6.408	2	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCC)(NCS)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CHHN)(COO)	C(C[6a]C[6a]2)(CCC)(NCS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CHHN)(COO)	129.1980	0.000	1	129.1980	0.000	1	127.4080	6.408	2	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-3:	C(C[6a]C[6a]2)(CC[6a]S)(NHH)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]N)	C(C[6a]C[6a]2)(CC[6a]S)(NHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]N)	120.9160	0.000	1	120.9160	0.000	1	120.9160	0.000	1	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:P-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:B-4:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(PC[6a]2)	C[6a](C[6a]C[6a]H)2(CCP)	C(C[6a]C[6a]2)(BC[6a]2C)(CC[6a]P)	C(C[6a]C[6a]2)(CC[6a]B)(PC[6a]2)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(BC[6a]2C)(CC[6a]P)	122.6380	0.000	1	122.6380	0.000	1	122.6380	0.000	1	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	B[5]-3:C-4:C-3:	C(C[6a]C[6a]2)2(CB[5]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(B[5]O[5]2)(CB[6a]HH)(CC[6a]2)	C(C[6a]C[6a]2)2(CB[5]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(B[5]O[5]2)(CB[6a]HH)(CC[6a]2)	121.6325	2.297	2	121.6325	5.278	2	121.6325	5.278	2	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CBrHH)(CCC)	C(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CBrHH)(CCC)	123.3053	1.134	4	123.3053	1.285	4	123.3053	1.285	4	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:B-4:C-3:	C(C[6a]C[6a]2)2(CC[6a]B)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]2F)(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]B)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(BC[6a]2F)(CC[6a]2)	123.3165	1.382	4	123.3165	1.911	4	123.4078	1.166	6	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:B-4:C-3:	C(C[6a]C[6a]2)2(CC[6a]B)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]2H)(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]B)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(BC[6a]2H)(CC[6a]2)	123.5905	0.025	2	123.5905	0.001	2	123.4078	1.166	6	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[3]HH)(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[3]HH)(CC[6a]2)	122.5525	0.460	2	122.5525	0.212	2	122.5525	0.212	2	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:Si-4:C-3:	C(C[6a]C[6a]2)2(CC[6a]Si)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(SiC[6a]CC)(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]Si)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(SiC[6a]CC)(CC[6a]2)	124.1070	0.000	1	123.4895	0.763	2	123.4895	0.763	2	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:Si-4:C-3:	C(C[6a]C[6a]2)2(CC[6a]Si)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)(SiC[6a]CC)(CC[6a]2)	C(C[6a]C[6a]2)2(CC[6a]Si)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(SiC[6a]CC)(CC[6a]2)	122.8720	0.000	1	123.4895	0.763	2	123.4895	0.763	2	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:P-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:C-3:	C(C[6a]C[6a]2)(PC[6a]Pt)(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CCP)	C(C[6a]C[6a]2)(PC[6a]2Pt)(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]Pt)(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(PC[6a]2Pt)(CC[6a]P)	124.9870	0.000	1	124.9870	0.000	1	124.9870	0.000	1	121.8751	11.885	49	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:4:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(CCFF)(CHHN)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(CCFF)(CHHN)	123.3355	0.612	2	123.3355	0.374	2	123.3355	0.374	2	123.3755	5.315	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:4:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:C-4:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCP)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C(CC[5a]C[6a])(PC[6a]2O)(CHHN)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCP)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C(CC[5a]C[6a])(PC[6a]2O)(CHHN)	125.2000	0.000	1	125.2000	0.000	1	125.2000	0.000	1	123.3755	5.315	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(BC[6a]2)(CCC)	C[6a](C[6a]C[6a]F)2(CBC)	C(CC[6a]B)(CCHH)2	C(C[6a]C[6a]2)(BC[6a]2)(CCC)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	C(CC[6a]B)(CCHH)2	120.9820	0.000	1	120.9820	0.000	1	120.9820	0.000	1	123.3755	5.315	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:C-4:	C(C[6a]C[6a]2)(BC[6a]2)(CSiC)	C[6a](C[6a]C[6a]F)2(CBC)	C(CC[6a]B)(SiC3)(CH3)	C(C[6a]C[6a]2)(BC[6a]2)(CSiC)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	C(CC[6a]B)(SiC3)(CH3)	121.5160	0.000	1	121.5160	0.000	1	121.5160	0.000	1	123.3755	5.315	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:B[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCC)	C[6a](C[6a]C[6a]H)2(CB[5]C)	C(CC[6a]B[5])(CCFF)(CH3)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCC)	C[6a](C[6a]C[6a]H)2(CB[5]C){1|C<3>,2|H<1>}	C(CC[6a]B[5])(CCFF)(CH3)	124.7040	0.000	1	124.7040	0.000	1	124.7040	0.000	1	123.3755	5.315	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCC)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CHNP)(CH3)	C(C[6a]C[6a]2)(CCC)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CHNP)(CH3)	127.0770	0.000	1	127.0770	0.000	1	124.2827	3.642	4	123.3755	5.315	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCC)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CH3)2	C(C[6a]C[6a]2)(CCC)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CH3)2	123.6910	0.000	1	123.6910	0.000	1	124.2827	3.642	4	123.3755	5.315	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCCH)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCCH)(CCHH)	123.1815	0.586	2	123.1815	0.344	2	124.2827	3.642	4	123.3755	5.315	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:C-4:	C(C[6a]C[6a]2)(CSiC)(CBC)	C[6a](C[6a]C[6a]F)2(CCC)	C(CC[6a]C)(SiC3)(CH3)	C(C[6a]C[6a]2)(CSiC)(CBC)	C[6a](C[6a]C[6a]F)2(CCC){1|C<3>,2|F<1>}	C(CC[6a]C)(SiC3)(CH3)	120.4942	0.230	4	120.4942	0.053	4	120.4942	0.053	4	123.3755	5.315	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCC)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CH3)2	C(C[6a]C[6a]2)(CCC)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CH3)2	125.6475	1.802	2	125.6475	3.249	2	125.2800	1.566	6	123.3755	5.315	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN)	C(CC[6a]N)(CH3)2	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCN){1|H<1>,2|C<3>}	C(CC[6a]N)(CH3)2	125.9920	0.000	1	125.9920	0.000	1	125.2800	1.566	6	123.3755	5.315	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN)	C(CC[6a]N)(CH3)2	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CH3)2	124.1005	0.433	2	124.1005	0.188	2	125.2800	1.566	6	123.3755	5.315	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]N)(CCHH)(CH3)	C(C[6a]C[6a]2)(CCC)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]N)(CCHH)(CH3)	126.1920	0.000	1	126.1920	0.000	1	125.2800	1.566	6	123.3755	5.315	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CC[6a]C)	C(CC[6a]2)(CH3)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CC[6a]C){1|H<1>,3|C<3>}	C(CC[6a]2)(CH3)2	121.8195	0.062	2	121.8195	0.004	2	121.8195	0.004	2	123.3755	5.315	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CH3)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CH3)2	123.9380	0.127	2	123.9380	0.016	2	123.5290	5.106	4	123.3755	5.315	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(CCHH)(CF3)	C(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(CCHH)(CF3)	123.1200	3.825	2	123.1200	14.634	2	123.5290	5.106	4	123.3755	5.315	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:C-4:	C(C[6a]C[6a]2)2(CCP)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]2)(PAuCC)(CH3)	C(C[6a]C[6a]2)2(CCP)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]2)(PAuCC)(CH3)	123.4485	5.604	2	123.4485	31.403	2	123.4485	31.403	2	123.3755	5.315	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:O-1:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[6]C[6]2H)(CC[6a]C[5])(O)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]C[5])(O)	114.5760	0.000	1	114.5760	0.000	1	114.5760	0.000	1	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	B-4:C-3:H-1:	C(C[6a]C[6a]2)(BC[6a]2)(CBH)	C[6a](C[6a]C[6a]F)2(CBC)	C(BC[6a]3)(CC[6a]B)(H)	C(C[6a]C[6a]2)(BC[6a]2)(CBH)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	C(BC[6a]3)(CC[6a]B)(H)	121.4550	0.000	1	121.4550	0.000	1	121.4550	0.000	1	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(BC[6a]2)(CCH)	C[6a](C[6a]C[6a]F)2(CBC)	C(CC[5]HH)(CC[6a]B)(H)	C(C[6a]C[6a]2)(BC[6a]2)(CCH)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	C(CC[5]HH)(CC[6a]B)(H)	121.3130	0.303	2	121.3130	0.092	2	121.3130	0.092	2	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)(BC[6a]2)(CC[3]H)	C[6a](C[6a]C[6a]F)2(CBC)	C(C[3]C[3]2H)(CC[6a]B)(H)	C(C[6a]C[6a]2)(BC[6a]2)(CC[3]H)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	C(C[3]C[3]2H)(CC[6a]B)(H)	121.7730	0.000	1	121.7730	0.000	1	121.7730	0.000	1	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCC)	C(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCC){3|C<3>}	C(CC[6a]HH)(CC[6a]C)(H)	121.8400	0.000	1	121.8400	0.000	1	122.5350	9.521	8	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]2H)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]2H)(CC[6a]C)(H)	120.4360	0.000	1	120.4360	0.000	1	122.5350	9.521	8	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]HH)(CC[6a]C)(H)	121.6070	0.117	2	121.6070	0.014	2	122.5350	9.521	8	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(CNO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(CNO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]HH)(CC[6a]C)(H)	123.7740	0.000	1	123.7740	0.000	1	122.5350	9.521	8	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]CO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]CO)(CC[6a]C)(H)	126.6630	0.964	2	126.6630	0.930	2	122.5350	9.521	8	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]CH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]CH)(CC[6a]C)(H)	117.6900	0.000	1	117.6900	0.000	1	122.5350	9.521	8	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:O-1:	C(C[6a]C[6a]2)(CCO)(CHN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]HH)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CCO)(CHN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]HH)(CC[6a]C)(O)	123.0760	0.276	2	123.0760	0.076	2	122.0347	3.291	3	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:O-1:	C(C[6a]C[6a]2)(CC[5a]H)(CCO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]HH)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[5a]H)(CCO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]HH)(CC[6a]C)(O)	119.9520	0.000	1	119.9520	0.000	1	122.0347	3.291	3	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[3,5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[3,5]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[3,5]C[3,5]C[3]C[5])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[3,5]H)(COO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[3,5]C[3,5]C[3]C[5])(CC[6a]C)(H)	118.8590	0.000	1	118.8590	0.000	1	118.8590	0.000	1	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]O)(CC[3]H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[3]C[3]2N)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]O)(CC[3]H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[3]C[3]2N)(CC[6a]C)(H)	127.3670	0.000	1	127.3670	0.000	1	127.7750	0.176	3	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[3]C[3]2S)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[3]C[3]2S)(CC[6a]C)(H)	127.9790	0.320	2	127.9790	0.102	2	127.7750	0.176	3	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]C)(H)	124.6630	0.000	1	124.6630	0.000	1	122.8385	6.658	2	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5]C[5]2H)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5]C[5]2H)(CC[6a]C)(H)	121.0140	0.000	1	121.0140	0.000	1	122.8385	6.658	2	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	P[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CP[6]H)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(P[6]O[6]2O)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CP[6]H)(CCC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	C(P[6]O[6]2O)(CC[6a]C)(H)	120.2300	0.000	1	120.2300	0.000	1	119.9163	1.903	4	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	P[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CP[6]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(P[6]O[6]2O)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CP[6]H)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(P[6]O[6]2O)(CC[6a]C)(H)	121.6900	0.000	1	121.6900	0.000	1	119.9163	1.903	4	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	P[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CP[6]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(P[6]O[6]2O)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CP[6]H)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(P[6]O[6]2O)(CC[6a]C)(H)	118.8725	0.535	2	118.8725	0.287	2	119.9163	1.903	4	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NHS)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]C[5]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]C[5]H)(CC[6a]N)(H)	121.7645	0.777	2	121.7645	0.604	2	121.7645	0.604	2	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[5]C[5]2H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[5]H)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[5]C[5]2H)(CC[6a]N)(H)	122.6905	0.859	2	122.6905	0.738	2	122.6905	0.738	2	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6]C[6]2H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6]H)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]N)(H)	126.0780	0.000	1	126.0780	0.000	1	124.5067	1.493	4	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(NCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6]C[6]N[6]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6]H)(NCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]N)(H)	123.5385	0.040	2	123.5385	0.002	2	124.5067	1.493	4	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(NHS)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6]C[6]2H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6]H)(NHS)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]N)(H)	124.8720	0.000	1	124.8720	0.000	1	124.5067	1.493	4	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(CHS)(NCC)	C[6a](C[6a]C[6a]H)2(CCN)	C(SC[6a]OO)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CHS)(NCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(SC[6a]OO)(CC[6a]N)(H)	127.0900	0.000	1	127.0900	0.000	1	121.1540	16.326	4	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(CHS)(NHH)	C[6a](C[6a]C[6a]H)2(CCN)	C(SC[6]OO)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CHS)(NHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(SC[6]OO)(CC[6a]N)(H)	118.5985	0.011	2	118.5985	0.000	2	121.1540	16.326	4	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(CHS)(NHH)	C[6a](C[6a]C[6a]H)2(CCN)	C(SC[6a]OO)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CHS)(NHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(SC[6a]OO)(CC[6a]N)(H)	120.3290	0.000	1	120.3290	0.000	1	121.1540	16.326	4	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:S-3:	C[6a]-3:C[6a]-3:C-3:	B-4:C-3:H-1:	C(C[6a]C[6a]2)(CBH)(SCC)	C[6a](C[6a]C[6a]H)2(CCS)	C(BC[6a]3)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CBH)(SCC)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(BC[6a]3)(CC[6a]S)(H)	130.6260	1.622	3	130.6260	2.630	3	130.6260	2.630	3	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	B[5,5]-4:C-3:H-1:	C(C[6a]C[6a]2)2(CB[5,5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(B[5,5]N[5,5]O[5]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CB[5,5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(B[5,5]N[5,5]O[5]2)(CC[6a]2)(H)	122.8868	1.083	4	122.8868	1.172	4	122.8868	1.172	4	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[5]HH)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[5]HH)(CC[6a]2)(H)	122.0675	1.093	4	122.0675	1.194	4	121.5779	1.104	14	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6]2H)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6]2H)(CC[6a]2)(H)	121.7395	1.493	2	121.7395	2.228	2	121.5779	1.104	14	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6]HH)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6]HH)(CC[6a]2)(H)	121.2120	1.561	2	121.2120	2.438	2	121.5779	1.104	14	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]CH)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]CH)(CC[6a]2)(H)	121.3195	0.941	6	121.3195	0.886	6	121.5779	1.104	14	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)2(CC[3]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[3]C[3]2H)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[3]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[3]C[3]2H)(CC[6a]2)(H)	121.5645	0.653	2	121.5645	0.426	2	121.5645	0.426	2	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C-3:H-1:	C(C[6a]C[6a]2)2(CC[4]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(C[4]C[6a]C[4]N[4])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[4]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(C[4]C[6a]C[4]N[4])(CC[6a]2)(H)	130.1280	0.000	1	130.1280	0.000	1	122.3117	36.449	4	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C-3:H-1:	C(C[6a]C[6a]2)2(CC[4]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[4]C[4]2H)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[4]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[4]C[4]2H)(CC[6a]2)(H)	121.8155	1.094	2	121.8155	1.197	2	122.3117	36.449	4	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[4]-4:C-3:H-1:	C(C[6a]C[6a]2)2(CC[4]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[4]C[6a]C[4]N[4])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[4]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[4]C[6a]C[4]N[4])(CC[6a]2)(H)	115.4880	0.000	1	115.4880	0.000	1	122.3117	36.449	4	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C-3:H-1:	C(C[6a]C[6a]2)2(CC[5,6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[5,6]C[5,6]C[5]C[6])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5,6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CC[6a]2)(H)	122.0710	2.885	2	122.0710	8.323	2	122.0710	8.323	2	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)2(CC[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[5]C[5,6a]C[5]C)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(CC[6a]2)(H)	122.3088	3.337	4	122.3088	11.138	4	122.1128	9.702	8	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)2(CC[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[5]C[5,6a]C[5]H)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(CC[6a]2)(H)	120.8120	2.363	2	120.8120	5.584	2	122.1128	9.702	8	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)2(CC[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[5]C[6a]C[5]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[5]C[6a]C[5]2)(CC[6a]2)(H)	123.0215	4.871	2	123.0215	23.729	2	122.1128	9.702	8	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6]C[6,6]C[6]H)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6]C[6,6]C[6]H)(CC[6a]2)(H)	121.4950	1.147	2	121.4950	1.315	2	121.5951	5.838	12	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6]C[6,6a]C[6]H)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]2)(H)	120.5660	1.137	2	120.5660	1.293	2	121.5951	5.838	12	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6]C[6]2H)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]2)(H)	121.0945	0.457	2	121.0945	0.209	2	121.5951	5.838	12	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6]C[6a]O[6]2)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6]C[6a]O[6]2)(CC[6a]2)(H)	122.1583	4.345	4	122.1583	18.876	4	121.5951	5.838	12	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)2(CC[6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6]C[6a]O[6]S[6])(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CC[6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6]C[6a]O[6]S[6])(CC[6a]2)(H)	122.0985	0.600	2	122.0985	0.360	2	121.5951	5.838	12	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)2(CHS)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(SC[6a]NO)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CHS)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(SC[6a]NO)(CC[6a]2)(H)	121.8415	2.876	2	121.8415	8.270	2	121.8415	8.270	2	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NTiC)(CCH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]TiO)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NTiC)(CCH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]TiO)(CC[6a]N)(H)	115.2120	1.345	2	115.2120	1.809	2	115.2120	1.809	2	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]Al)(CHP)	C[6a](C[6a]C[6a]H)2(CCN)	C(PC[6a]2N)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Al)(CHP)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(PC[6a]2N)(CC[6a]N)(H)	119.5553	0.878	3	119.5553	0.772	3	117.9263	3.950	6	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]Ni)(CHP)	C[6a](C[6a]C[6a]H)2(CCN)	C(PC[6a]2Ni)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Ni)(CHP)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(PC[6a]2Ni)(CC[6a]N)(H)	115.9100	0.000	1	115.9100	0.000	1	117.9263	3.950	6	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]Pd)(CHP)	C[6a](C[6a]C[6a]H)2(CCN)	C(PC[6a]2Pd)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Pd)(CHP)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(PC[6a]2Pd)(CC[6a]N)(H)	117.5060	0.000	1	117.5060	0.000	1	117.9263	3.950	6	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]Zn)(CHP)	C[6a](C[6a]C[6a]H)2(CCN)	C(PC[6a]2N)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Zn)(CHP)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(PC[6a]2N)(CC[6a]N)(H)	115.4760	0.000	1	115.4760	0.000	1	117.9263	3.950	6	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:P-3:C-3:	C[6a]-3:C[6a]-3:C-3:	Si-4:C-3:H-1:	C(C[6a]C[6a]2)(PC[5,6]N)(CSiH)	C[6a](C[6a]C[6a]H)2(CCP)	C(SiC[6a]NN)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[5,6]N)(CSiH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(SiC[6a]NN)(CC[6a]P)(H)	119.9540	0.000	1	119.9540	0.000	1	119.9540	0.000	1	121.8938	11.207	98	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:O-2:	C(C[6a]C[6a]2)(CN[6]O)(CCO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]HH)(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CN[6]O)(CCO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]HH)(CC[6a]C)(OC)	127.7460	0.000	1	127.7460	0.000	1	127.7460	0.000	1	121.9524	12.275	7	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[3x6]-4:C-3:O-2:	C(C[6a]C[6a]2)(CC[3x6]O)(CCH)	C[6a](C[6a]C[6a]C)2(CCC)	C(C[3x6]C[6,6]3)(CC[6a]C)(OSi)	C(C[6a]C[6a]2)(CC[3x6]O)(CCH)	C[6a](C[6a]C[6a]C)2(CCC){1|C<3>,2|H<1>}	C(C[3x6]C[6,6]3)(CC[6a]C)(OSi)	120.9020	0.000	1	120.9020	0.000	1	120.9020	0.000	1	121.9524	12.275	7	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:C-2:	C(C[6a]C[6a]2)(CCP)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(PC[6a]3)(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CCP)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(PC[6a]3)(CC[6a]C)(CC)	115.9140	0.000	1	115.9140	0.000	1	115.9140	0.000	1	121.9524	12.275	7	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:2:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCN)	C(CC[6a]HH)(CC[6a]N)(CN)	C(C[6a]C[6a]2)(CCC)(NHH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCN){1|C<3>,1|H<1>}	C(CC[6a]HH)(CC[6a]N)(CN)	122.1090	0.000	1	122.1090	0.000	1	122.7295	0.770	2	121.9524	12.275	7	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:2:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-2:	C(C[6a]C[6a]2)(CCC)(NHH)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]HH)(CC[6a]N)(CN)	C(C[6a]C[6a]2)(CCC)(NHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]HH)(CC[6a]N)(CN)	123.3500	0.000	1	123.3500	0.000	1	122.7295	0.770	2	121.9524	12.275	7	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-2:	C(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(CC[6a]HN)(CC[6a]2)(CN)	C(C[6a]C[6a]2)2(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]HN)(CC[6a]2)(CN)	121.8230	0.711	2	121.8230	0.506	2	121.8230	0.506	2	121.9524	12.275	7	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:3:	C-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[6a]-3:C-3:	C(CC[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[5,6]C[5,6]B[6]C[5])(C[6a]C[6a]2)(CC[6a]C[5])	C(CC[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(C[5,6]C[5,6]B[6]C[5])(C[6a]C[6a]2)(CC[6a]C[5])	123.3330	0.000	1	123.3330	0.000	1	123.3330	0.000	1	120.9175	10.835	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C-3:C-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-3:	C(C[6a]C[5a,6a]C[6a])(CC[5]C)(CCC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCC)	C(C[5]C[5]2Fe)(CC[6a]C)(CCC)	C(C[6a]C[5a,6a]C[6a])(CC[5]C)(CCC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C(C[5]C[5]2Fe)(CC[6a]C)(CCC)	119.7160	0.000	1	119.7160	0.000	1	119.7160	0.000	1	120.9175	10.835	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	B-4:C-3:C-3:	C(C[6a]C[6a]2)(CSiC)(CBC)	C[6a](C[6a]C[6a]F)2(CCC)	C(BC[6a]N[6]Cl)(CC[6a]C)(CSiC)	C(C[6a]C[6a]2)(CSiC)(CBC)	C[6a](C[6a]C[6a]F)2(CCC){1|C<3>,2|F<1>}	C(BC[6a]N[6]Cl)(CC[6a]C)(CSiC)	112.5280	0.000	1	112.5280	0.000	1	112.5280	0.000	1	120.9175	10.835	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	B-4:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	124.2850	0.693	2	124.2850	0.480	2	122.6726	1.460	7	120.9175	10.835	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	B-4:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C[6a](C[6a]C[6a]F)2(CCC)	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C[6a](C[6a]C[6a]F)2(CCC){1|C<3>,2|F<1>}	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CC[6a]C)	121.4540	0.000	1	121.4540	0.000	1	122.6726	1.460	7	120.9175	10.835	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	B-4:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	122.0270	0.426	2	122.0270	0.181	2	122.6726	1.460	7	120.9175	10.835	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	B-4:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CC[6a]C)	122.7160	0.000	1	122.7160	0.000	1	122.6726	1.460	7	120.9175	10.835	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	B-4:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(BC[6a]N[6]N)(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(BC[6a]N[6]N)(C[6a]C[6a]2)(CC[6a]C)	121.9140	0.000	1	121.9140	0.000	1	122.6726	1.460	7	120.9175	10.835	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	B[3x6]-4:C-3:C-3:	C(C[6a]C[6a]2)(CB[3x6]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(B[3x6]N[5a,6,6]3)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CB[3x6]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(B[3x6]N[5a,6,6]3)(CC[6a]C)(CCC)	116.0030	0.000	1	116.0030	0.000	1	116.0030	0.000	1	120.9175	10.835	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	B[5]-4:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B[5])(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(B[5]N[5,5]C[6a]N[5])(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B[5])(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(B[5]N[5,5]C[6a]N[5])(C[6a]C[6a]2)(CC[6a]C)	119.7335	0.479	2	119.7335	0.229	2	119.7335	0.229	2	120.9175	10.835	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-3:	C(C[6a]C[6a]2)(CC[5]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5]C[5]2Fe)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[5]C)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(CC[6a]C)(CCC)	119.1370	0.000	1	119.1370	0.000	1	119.1370	0.000	1	120.9175	10.835	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:C-3:	C(C[6a]C[6a]2)(CC[6]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6]C[6]O[6]H)(CC[6a]C)(COO)	C(C[6a]C[6a]2)(CC[6]C)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(CC[6a]C)(COO)	120.9060	0.000	1	120.9060	0.000	1	117.3333	18.376	3	120.9175	10.835	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:C-3:	C(C[6a]C[6a]2)(CC[6]C)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6]C[6]2H)(CC[6a]C)(CC[6a]I)	C(C[6a]C[6a]2)(CC[6]C)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]C)(CC[6a]I)	112.5800	0.000	1	112.5800	0.000	1	117.3333	18.376	3	120.9175	10.835	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]Pd)(CC[6]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6]C[6]2Pd)(CC[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Pd)(CC[6]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6]C[6]2Pd)(CC[6a]2)(CC[6a]C)	118.5140	0.000	1	118.5140	0.000	1	117.3333	18.376	3	120.9175	10.835	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]O)(CCP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(PC[6a]2O)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CCP)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(PC[6a]2O)(CC[6a]C)(CCO)	123.8300	0.000	1	123.8300	0.000	1	123.8300	0.000	1	120.9175	10.835	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-3:	C(C[6a]C[6a]2)2(CC[5]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[5]C[5]N[5]H)(CC[6a]2)(COO)	C(C[6a]C[6a]2)2(CC[5]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(CC[6a]2)(COO)	125.5760	0.000	1	125.5760	0.000	1	122.2710	21.846	2	120.9175	10.835	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-3:	C(C[6a]C[6a]2)2(CC[5]C)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(CC[6a]C)	C(C[5]C[5]N[5]H)(CC[6a]2)(COO)	C(C[6a]C[6a]2)2(CC[5]C)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(CC[6a]C){4|C<3>}	C(C[5]C[5]N[5]H)(CC[6a]2)(COO)	118.9660	0.000	1	118.9660	0.000	1	122.2710	21.846	2	120.9175	10.835	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:C-3:	C(C[6a]C[6a]2)2(CC[6]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6]C[6]2Pd)(CC[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[6]C[6]2Pd)(CC[6a]2)(CC[6a]C)	122.0985	0.108	2	122.0985	0.012	2	122.0985	0.012	2	120.9175	10.835	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:C-3:	C(C[6a]C[6a]2)2(CCS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(SC[6a]OO)(CC[6a]2)(CCN)	C(C[6a]C[6a]2)2(CCS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C(SC[6a]OO)(CC[6a]2)(CCN)	124.6330	0.000	1	124.6330	0.000	1	122.5983	3.049	4	120.9175	10.835	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:C-3:	C(C[6a]C[6a]2)2(CCS)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(SC[6a]OO)(CC[6a]2)(CCN)	C(C[6a]C[6a]2)2(CCS)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(SC[6a]OO)(CC[6a]2)(CCN)	121.9200	1.347	3	121.9200	1.813	3	122.5983	3.049	4	120.9175	10.835	26	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:4:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:C-4:	C(C[6a]C[6a]2)(CC[6]C)2	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6]C[6]2H)(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(CC[6]C)2	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(CC[6a]C)(CH3)	124.7290	0.000	1	124.7290	0.000	1	124.7290	0.000	1	122.6610	3.430	23	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-4:	C(C[6a]C[6a]2)2(CC[5]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[5]C[5]2Fe)(CC[6a]2)(CCHH)	C(C[6a]C[6a]2)2(CC[5]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]2Fe)(CC[6a]2)(CCHH)	124.9210	0.000	1	122.6334	1.680	16	122.6334	1.680	16	122.6610	3.430	23	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C-4:	C(C[6a]C[6a]2)2(CC[5]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[5]C[5]2Fe)(CC[6a]2)(CCHH)	C(C[6a]C[6a]2)2(CC[5]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(CC[6a]2)(CCHH)	122.4809	1.184	15	122.6334	1.680	16	122.6334	1.680	16	122.6610	3.430	23	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:C-4:	C(C[6a]C[6a]2)2(CCP)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(PC[6]2Au)(CC[6a]2)(CH3)	C(C[6a]C[6a]2)2(CCP)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(PC[6]2Au)(CC[6a]2)(CH3)	124.0245	3.004	2	124.0245	9.027	2	123.5613	3.658	4	122.6610	3.430	23	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:C-4:	C(C[6a]C[6a]2)2(CCP)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(PC[6a]BC)(CC[6a]2)(CH3)	C(C[6a]C[6a]2)2(CCP)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(PC[6a]BC)(CC[6a]2)(CH3)	123.0980	1.044	2	123.0980	1.089	2	123.5613	3.658	4	122.6610	3.430	23	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:4:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]Ti)(CCC)	C[6a](C[6a]C[6a]H)2(CCN)	C(CC[6a]TiN)(CC[6a]N)(CH3)	C(C[6a]C[6a]2)(NC[6a]Ti)(CCC)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(CC[6a]TiN)(CC[6a]N)(CH3)	117.0390	0.000	1	117.0390	0.000	1	117.0390	0.000	1	122.6610	3.430	23	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:3:4:	C[6a]-3:P-3:C-3:	C[6a]-3:C[6a]-3:C-3:	B-4:C-3:C-4:	C(C[6a]C[6a]2)(PC[6a]2)(CBC)	C[6a](C[6a]C[6a]H)2(CCP)	C(BC[6a]2C)(CC[6a]P)(CH3)	C(C[6a]C[6a]2)(PC[6a]2)(CBC)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(BC[6a]2C)(CC[6a]P)(CH3)	123.0540	0.000	1	123.0540	0.000	1	123.0540	0.000	1	122.6610	3.430	23	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:P-4:C-3:	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]P)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[3]C[3]2O)(PC[6a]2O)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]P)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[3]C[3]2O)(PC[6a]2O)(CC[6a]C)	124.6380	0.000	1	124.6380	0.000	1	124.6380	0.000	1	124.0126	1.399	5	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	P-4:P-4:C-3:	C(C[6a]C[6a]2)2(CPP)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(PC[6a]2N)2(CC[6a]2)	C(C[6a]C[6a]2)2(CPP)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C(PC[6a]2N)2(CC[6a]2)	123.8562	1.305	4	123.8562	1.702	4	123.8562	1.702	4	124.0126	1.399	5	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	2:2:3:	3:3:3:	C[6a]-3:C-3:C-4:	N[6a]-2:O[6a]-2:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]N[6a]O[6a])(CC[6a]N)(CH3)	C[6a](N[6a]C[6a])(O[6a]C[6a])(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	C(C[6a]N[6a]O[6a])(CC[6a]N)(CH3)	C[6a](N[6a]C[6a])(O[6a]C[6a])(CCC){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	120.4350	0.000	1	120.4350	0.000	1	120.4350	0.000	1	120.4350	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:2:3:	3:1:1:	C[6a]-3:C-3:C-4:	C[6a]-3:O[6a]-2:C-3:	C-3:Br-1:H-1:	C(C[6a]C[6a]O[6a])(CBrH)(CH3)	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CCC)	C(CC[6a]C)(Br)(H)	C(C[6a]C[6a]O[6a])(CBrH)(CH3)	C[6a](C[6a]C[6a]C)(O[6a]C[6a])(CCC){1|C<3>,1|O<1>,1|O<2>}	C(CC[6a]C)(Br)(H)	117.5075	0.305	2	117.5075	0.093	2	117.5075	0.093	2	117.5075	0.093	2	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:2:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	121.0440	0.079	2	121.0440	0.006	2	121.7163	1.359	3	121.7163	1.359	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:2:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a]H)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	123.0610	0.000	1	123.0610	0.000	1	121.7163	1.359	3	121.7163	1.359	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:2:3:	3:3:2:	C[6a]-3:C-3:C-4:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(OS)	C(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(OS)	123.3090	0.000	1	123.3090	0.000	1	123.3090	0.000	1	123.3090	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(CCHH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCC){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	120.1850	0.000	1	120.1850	0.000	1	120.1850	0.000	1	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:Br-1:	C(C[6a]C[6a]2)(CBrC)(CH3)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCO)(Br)	C(C[6a]C[6a]2)(CBrC)(CH3)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCO)(Br)	120.0575	0.166	2	120.0575	0.028	2	120.0575	0.028	2	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:F-1:	C(C[6a]C[6a]2)(CC[5a]F)(CH3)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5a]C[5a]N[5a])(CC[6a]C)(F)	C(C[6a]C[6a]2)(CC[5a]F)(CH3)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a]C)(F)	120.3420	0.000	1	120.3420	0.000	1	120.3420	0.000	1	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(C[6]C[6,6a]C[6])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6]H)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|Br<1>,1|C<3>,1|H<1>}	C(C[6]C[6,6a]C[6])(CC[6a]C)(H)	122.9520	0.000	1	122.9520	0.000	1	122.9520	0.000	1	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Br-1:	C(C[6a]C[6a]2)(CC[6a]Br)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(Br)	C(C[6a]C[6a]2)(CC[6a]Br)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(Br)	120.2960	0.409	2	120.2960	0.167	2	120.2960	0.167	2	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CCCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	123.1410	0.000	1	123.1410	0.000	1	121.8905	6.198	38	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CCCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	120.5420	0.652	2	120.5420	0.425	2	121.8905	6.198	38	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CCFF)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCFF)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	125.5235	0.220	2	125.5235	0.048	2	121.8905	6.198	38	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]N[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]C)(H)	118.8600	0.000	1	118.8600	0.000	1	121.8905	6.198	38	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	118.7930	0.000	1	118.7930	0.000	1	121.8905	6.198	38	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	122.0210	0.000	1	122.0210	0.000	1	121.8905	6.198	38	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	121.7120	2.180	7	121.7120	4.750	7	121.8905	6.198	38	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CClHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CClHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	120.6060	0.000	1	120.6060	0.000	1	121.8905	6.198	38	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CF3)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CF3)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	126.5930	0.503	3	126.5930	0.253	3	121.8905	6.198	38	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	119.7575	0.149	2	119.7575	0.022	2	121.8905	6.198	38	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	124.0095	0.425	2	124.0095	0.181	2	121.8905	6.198	38	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CH3)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CH3)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	120.6850	0.935	6	121.1653	2.344	7	121.8905	6.198	38	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CH3)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CH3)	C[6a](C[6a]C[6a]H)2(CCC){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	124.0470	0.000	1	121.1653	2.344	7	121.8905	6.198	38	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CHHN)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CHHN)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CCC){4|C<3>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	117.6580	0.000	1	117.6580	0.000	1	121.8905	6.198	38	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	119.8325	0.238	2	119.8325	0.057	2	121.8905	6.198	38	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CHHO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CHHO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	119.6700	0.000	1	120.4900	1.345	2	121.8905	6.198	38	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CHHO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CHHO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	121.3100	0.000	1	120.4900	1.345	2	121.8905	6.198	38	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CHHP)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CHHP)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	124.1840	0.000	1	124.1840	0.000	1	121.8905	6.198	38	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CHHS)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CHHS)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	124.7450	0.000	1	124.7450	0.000	1	121.8905	6.198	38	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CRu2C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CRu2C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(H)	121.6000	0.000	1	121.6000	0.000	1	121.8905	6.198	38	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:Si-4:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CN[5]H)(SiC3)	C[6a](C[6a]C[6a]H)2(CSiC)	C(N[5]C[5]2)(CC[6a]Si)(H)	C(C[6a]C[6a]2)(CN[5]H)(SiC3)	C[6a](C[6a]C[6a]H)2(CSiC){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CC[6a]Si)(H)	114.1610	0.000	1	114.1610	0.000	1	114.1610	0.000	1	121.5258	6.697	46	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	B[5]-3:C-3:C-2:	C(C[6a]C[6a]2)(CB[5]C)(CC3)	C[6a](C[6a]C[6a]H)2(CCC)	C(B[5]O[5]2)(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CB[5]C)(CC3)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(B[5]O[5]2)(CC[6a]C)(CC[6a])	116.9490	0.000	1	116.9490	0.000	1	116.9490	0.000	1	121.0247	1.823	30	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[5a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5a]C[5a]N[5a])(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CC[5a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a]C)(OC)	119.1720	0.000	1	119.1720	0.000	1	119.1720	0.000	1	121.0247	1.823	30	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(OS)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(OS)	120.8890	0.000	1	120.8890	0.000	1	121.0405	0.892	25	121.0247	1.823	30	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(OS)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(OS)	121.7330	0.000	1	121.7330	0.000	1	121.0405	0.892	25	121.0247	1.823	30	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(OC)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(OC)	122.2973	0.768	3	122.2973	0.589	3	121.0405	0.892	25	121.0247	1.823	30	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(OP)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(OP)	120.9450	0.000	1	120.9450	0.000	1	121.0405	0.892	25	121.0247	1.823	30	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(OS)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]C)(OS)	120.0510	0.000	1	120.8128	0.860	17	121.0405	0.892	25	121.0247	1.823	30	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(OS)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(OS)	120.8604	0.936	16	120.8128	0.860	17	121.0405	0.892	25	121.0247	1.823	30	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]N[6a])(CC[6a]C)(OS)	C(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(CC[6a]C)(OS)	120.4840	0.000	1	120.4840	0.000	1	121.0405	0.892	25	121.0247	1.823	30	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(OS)	C(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(OS)	121.2510	0.000	1	121.2510	0.000	1	121.0405	0.892	25	121.0247	1.823	30	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(SC[6a])	C(C[6a]C[6a]2)(CC[6a]S)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(SC[6a])	122.1430	0.000	1	122.1430	0.000	1	122.8697	0.590	3	121.0247	1.823	30	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:S-2:	C(C[6a]C[6a]2)(CC[6a]S)(CHHO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(SC[6a])	C(C[6a]C[6a]2)(CC[6a]S)(CHHO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(SC[6a])	123.2330	0.622	2	123.2330	0.387	2	122.8697	0.590	3	121.0247	1.823	30	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	122.3520	0.000	1	122.3520	0.000	1	121.8021	1.244	8	121.9872	2.364	61	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)2	123.2410	0.000	1	123.2410	0.000	1	121.8021	1.244	8	121.9872	2.364	61	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	122.1420	1.360	2	122.1420	1.851	2	121.8021	1.244	8	121.9872	2.364	61	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(COO)	119.9140	0.000	1	119.9140	0.000	1	121.8021	1.244	8	121.9872	2.364	61	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]O)	121.0100	0.000	1	121.0100	0.000	1	121.8021	1.244	8	121.9872	2.364	61	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	121.8080	0.252	2	121.8080	0.063	2	121.8021	1.244	8	121.9872	2.364	61	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CC[6a]N)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6a]C)(NCH)	120.2780	0.000	1	120.2780	0.000	1	121.2350	1.832	2	121.9872	2.364	61	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(NC[6a]2)	C(C[6a]C[6a]2)(CC[6a]N)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(NC[6a]2)	122.1920	0.000	1	122.1920	0.000	1	121.2350	1.832	2	121.9872	2.364	61	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C[6])(CCHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[6])(CCHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]C)	123.7970	0.000	1	123.7970	0.000	1	123.7970	0.000	1	121.9872	2.364	61	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]C)	121.1470	0.000	1	121.1470	0.000	1	122.2235	0.858	41	121.9872	2.364	61	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]C)	122.0680	0.197	2	122.0680	0.039	2	122.2235	0.858	41	121.9872	2.364	61	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(CCC)	C(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)2(CCC){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)2(CC[6a]C)	123.7400	0.000	1	123.7400	0.000	1	122.2235	0.858	41	121.9872	2.364	61	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]C)	123.4065	1.126	2	123.4065	1.269	2	122.2235	0.858	41	121.9872	2.364	61	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]C)	122.0653	0.752	29	122.0653	0.566	29	122.2235	0.858	41	121.9872	2.364	61	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CFeCO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CFeCO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]C)	119.8620	0.000	1	119.8620	0.000	1	122.2235	0.858	41	121.9872	2.364	61	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]C)	123.0415	0.407	4	123.0415	0.166	4	122.2235	0.858	41	121.9872	2.364	61	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CHHN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]C)	123.4040	0.000	1	123.4040	0.000	1	122.2235	0.858	41	121.9872	2.364	61	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]N[6])(CCHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]N[6])(CCHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)	121.9160	0.000	1	121.9160	0.000	1	121.9160	0.000	1	121.9872	2.364	61	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:N-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(NCHH)	C[6a](C[6a]C[6a]H)2(CCN)	C(C[6a]C[6a]2)2(CC[6a]N)	C(C[6a]C[6a]2)(CC[6a]2)(NCHH)	C[6a](C[6a]C[6a]H)2(CCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]N)	126.8890	0.000	1	126.8890	0.000	1	126.8890	0.000	1	121.9872	2.364	61	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:S-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]N)(SCOO)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(NHH)	C(C[6a]C[6a]2)(CC[6a]N)(SCOO)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(NHH)	122.6070	0.000	1	122.6070	0.000	1	122.6070	0.000	1	121.9872	2.364	61	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:Si-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:B[5]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B[5])(SiC[6a]CC)	C[6a](C[6a]C[6a]H)2(CSiC)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]Si)	C(C[6a]C[6a]2)(CC[6a]B[5])(SiC[6a]CC)	C[6a](C[6a]C[6a]H)2(CSiC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]Si)	118.0897	2.817	3	118.0897	7.938	3	118.0897	7.938	3	121.9872	2.364	61	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:Si-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(SiCl2C)	C[6a](C[6a]C[6a]H)2(CSiC)	C(C[6a]C[6a]2)(CC[6a]Si)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(SiCl2C)	C[6a](C[6a]C[6a]H)2(CSiC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]Si)(CC[6a]C)	122.3800	0.000	1	122.3800	0.000	1	122.3800	0.000	1	121.9872	2.364	61	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:Si-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(CSiC)	C(C[6a]C[6a]2)2(CC[6a]Si)	C(C[6a]C[6a]2)(CC[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(CSiC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]Si)	120.6550	0.659	2	120.6550	0.434	2	120.6550	0.434	2	121.9872	2.364	61	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(CBrHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CBrHH)	C(C[6a]C[6a]2)(CC[6a]C)(CBrHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CBrHH)	122.3913	0.645	3	122.3913	0.416	3	122.3129	2.305	40	122.3129	2.305	40	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(CC3)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CC3)	C(C[6a]C[6a]2)(CC[6a]C)(CC3)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CC3)	120.2200	0.291	2	120.2200	0.085	2	122.3129	2.305	40	122.3129	2.305	40	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(CCCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(CC[6a]C)(CCCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	124.6850	0.597	2	124.6850	0.356	2	122.3129	2.305	40	122.3129	2.305	40	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(CCCO)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCCO)	C(C[6a]C[6a]2)(CC[6a]C)(CCCO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CCCO)	117.6790	0.344	2	117.6790	0.118	2	122.3129	2.305	40	122.3129	2.305	40	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	122.0540	0.000	1	122.0540	0.000	1	122.3129	2.305	40	122.3129	2.305	40	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	121.1600	0.000	1	122.3569	0.380	11	122.3129	2.305	40	122.3129	2.305	40	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	122.4766	0.498	10	122.3569	0.380	11	122.3129	2.305	40	122.3129	2.305	40	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	122.8410	0.105	2	122.8410	0.011	2	122.3129	2.305	40	122.3129	2.305	40	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCCH)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CCCH)	122.0930	0.594	2	122.0930	0.353	2	122.3129	2.305	40	122.3129	2.305	40	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	122.8300	1.134	14	122.8300	1.286	14	122.3129	2.305	40	122.3129	2.305	40	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(CHHS)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CHHS)	C(C[6a]C[6a]2)(CC[6a]C)(CHHS)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CHHS)	122.7050	0.000	1	122.7050	0.000	1	122.3129	2.305	40	122.3129	2.305	40	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:4:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:S-4:C-3:	C(C[6a]C[6a]2)(CC[6a]S)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]S)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]C)	124.7830	0.000	1	124.7830	0.000	1	124.7830	0.000	1	121.1350	10.145	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:4:3:	C[6a]-3:C-3:P-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(PCuCC)	C[6a](C[6a]C[6a]H)2(CCP)	C(C[6a]C[6a]2)(CC[3]HH)(CC[6a]P)	C(C[6a]C[6a]2)(CC[6a]C)(PCuCC)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[3]HH)(CC[6a]P)	119.7160	0.000	1	119.7160	0.000	1	119.7160	0.000	1	121.1350	10.145	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	3:4:3:	C[6a]-3:C-3:Si-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:Si-4:C-3:	C(C[6a]C[6a]2)(CC[6a]Si)(SiC3)	C[6a](C[6a]C[6a]H)2(CSiC)	C(C[6a]C[6a]2)(SiC[5]ClN)(CC[6a]Si)	C(C[6a]C[6a]2)(CC[6a]Si)(SiC3)	C[6a](C[6a]C[6a]H)2(CSiC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(SiC[5]ClN)(CC[6a]Si)	118.9060	0.000	1	118.9060	0.000	1	118.9060	0.000	1	121.1350	10.145	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[3]H)(CCCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[3]C[3]2H)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[3]H)(CCCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[3]C[3]2H)(CC[6a]C)(H)	120.5358	0.564	12	120.5358	0.318	12	120.8026	2.097	16	120.6652	1.810	20	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[3]H)(CCCH)	C[6a](C[6a]N[6a]H)2(CCC)	C(C[3]C[3]2H)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[3]H)(CCCH)	C[6a](C[6a]N[6a]H)2(CCC){1|C<3>}	C(C[3]C[3]2H)(CC[6a]C)(H)	120.1787	0.320	3	120.1787	0.102	3	120.8026	2.097	16	120.6652	1.810	20	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[3]H)(CHHS)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[3]C[3]2P)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[3]H)(CHHS)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[3]C[3]2P)(CC[6a]C)(H)	125.8760	0.000	1	125.8760	0.000	1	120.8026	2.097	16	120.6652	1.810	20	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5]C[5]2C)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5]C[5]2C)(CC[6a]C)(H)	120.0850	0.000	1	120.0850	0.000	1	119.6210	0.431	2	120.6652	1.810	20	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(CH3)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5]C[5]O[5]H)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5]H)(CH3)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(CC[6a]C)(H)	119.1570	0.000	1	119.1570	0.000	1	119.6210	0.431	2	120.6652	1.810	20	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	P[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(CP[6]H)(CH3)	C[6a](C[6a]C[6a]H)2(CCC)	C(P[6]O[6]2O)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CP[6]H)(CH3)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(P[6]O[6]2O)(CC[6a]C)(H)	120.5350	0.000	1	120.5350	0.000	1	120.5350	0.000	1	120.6652	1.810	20	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	Si[4]-4:C-3:H-1:	C(C[6a]C[6a]2)(CSi[4]H)(CC3)	C[6a](C[6a]C[6a]H)2(CCC)	C(Si[4]C[4,6a]C[6a]C[4])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CSi[4]H)(CC3)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(Si[4]C[4,6a]C[6a]C[4])(CC[6a]C)(H)	120.6860	0.000	1	120.6860	0.000	1	120.6860	0.000	1	120.6652	1.810	20	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	4:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(CCHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(CCHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CC[6a]C)	122.7855	0.743	4	122.7855	0.552	4	122.7855	0.552	4	122.7855	0.552	4	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:3:4:	3:3:3:	6:3:3:	C-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5x3,5x5,20x6]-6:C[6a]-3:C-3:	C(CC[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(CC[6a]C)	C(CC[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(CC[6a]C)	119.0610	0.147	2	119.0610	0.022	2	119.0610	0.022	2	119.0610	0.022	2	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	2:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	S[6a]-2:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]S[6a])(CH3)(CHH)	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]S[6a])(CH3)(CHH)	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(CCC){1|O<1>,2|C<3>}	C(CC[6a]C)(H)2	118.6670	0.000	1	118.6670	0.000	1	118.6670	0.000	1	118.6670	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	2:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	N[6a]-2:N[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]N[6a]2)(CCHH)(CHN)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCC)	C(CC[6a]C)(NHH)(H)	C(C[6a]N[6a]2)(CCHH)(CHN)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCC){1|C<3>,1|N<2>,1|O<1>}	C(CC[6a]C)(NHH)(H)	116.1990	0.000	1	116.1990	0.000	1	116.1990	0.000	1	116.1990	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:2:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:O[6a]-2:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]O[6a])(CH3)(CHH)	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]O[6a])(CH3)(CHH)	C[6a](C[6a]C[6a,6a]I)(O[6a]C[6a])(CCC){1|O<1>,2|C<3>}	C(CC[6a]C)(H)2	118.7400	0.000	1	118.7400	0.000	1	118.7400	0.000	1	118.7400	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:2:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:O[6a]-2:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]O[6a])(CH3)(CCH)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCC)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]O[6a])(CH3)(CCH)	C[6a](C[6a]C[6a]H)(O[6a]C[6a])(CCC){1|C<3>,1|O<1>,1|O<2>}	C(CC[6a]C)(CCC)(H)	116.8170	0.000	1	116.8170	0.000	1	116.8170	0.000	1	116.8170	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:2:3:	3:3:2:	C[6a]-3:C-4:C-3:	C[6a]-3:N[6a]-2:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]N[6a])(CH3)(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC)	C(CC[6a]C)(CC[6a]O)(OC)	C(C[6a]C[6a]N[6a])(CH3)(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]O)(OC)	120.4100	0.000	1	120.4100	0.000	1	120.4100	0.000	1	120.4100	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:2:3:	4:3:1:	C[6a]-3:Si-4:C-3:	C[6a]-3:N[6a]-2:C-3:	Si-4:C-3:H-1:	C(C[6a]C[6a]N[6a])(SiC3)(CSiH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiC)	C(SiC[5]ClN)(CC[6a]Si)(H)	C(C[6a]C[6a]N[6a])(SiC3)(CSiH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CSiC){1|C<3>,2|H<1>}	C(SiC[5]ClN)(CC[6a]Si)(H)	117.3070	1.113	2	117.3070	1.239	2	117.3070	1.239	2	117.3070	1.239	2	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[5,6a]C[6a])(CCHH)(CHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[3])(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[5,6a]C[6a])(CCHH)(CHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[3])(CCC){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C(CC[6a]C)(H)2	120.2550	0.000	1	120.2550	0.000	1	119.4112	0.548	4	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[5,6a]C[6a])(CH3)(CHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[5,6a]C[6a])(CH3)(CHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CCC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(CC[6a]C)(H)2	118.8045	0.244	2	118.8045	0.060	2	119.4112	0.548	4	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[5,6a]C[6a])(CH3)(CHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[5,6a]C[6a])(CH3)(CHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(CC[6a]C)(H)2	119.7810	0.000	1	119.7810	0.000	1	119.4112	0.548	4	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Br-1:Br-1:	C(C[6a]C[6a]2)(CHHN)(CBr2)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(Br)2	C(C[6a]C[6a]2)(CHHN)(CBr2)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(Br)2	123.0250	0.000	1	123.0250	0.000	1	123.0250	0.000	1	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Br-1:F-1:	C(C[6a]C[6a]2)(CBrHH)(CBrF)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(Br)(F)	C(C[6a]C[6a]2)(CBrHH)(CBrF)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(Br)(F)	120.3960	0.000	1	120.3960	0.000	1	120.3960	0.000	1	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Cl-1:Cl-1:	C(C[6a]C[6a]2)(CClHH)(CCl2)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(Cl)2	C(C[6a]C[6a]2)(CClHH)(CCl2)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(Cl)2	122.3868	0.298	4	122.3868	0.089	4	122.3868	0.089	4	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Cl-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CClH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(Cl)(H)	C(C[6a]C[6a]2)(CCHH)(CClH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(Cl)(H)	119.3540	0.000	1	119.3540	0.000	1	119.3540	0.000	1	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:F-1:H-1:	C(C[6a]C[6a]2)(CN[6]HH)(CFH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(F)(H)	C(C[6a]C[6a]2)(CN[6]HH)(CFH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(F)(H)	123.8720	0.000	1	123.8720	0.000	1	123.8720	0.000	1	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCH)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCCH)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	120.1975	1.230	2	120.1975	1.512	2	120.7702	3.158	42	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCCN)(CHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCCN)(CHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	119.7117	0.437	3	119.7117	0.191	3	120.7702	3.158	42	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCFH)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCFH)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	122.7370	0.000	1	122.7370	0.000	1	120.7702	3.158	42	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHH)(CHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]C)(H)2	122.0650	0.000	1	122.0650	0.000	1	120.7702	3.158	42	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHH)(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	120.6603	0.986	4	120.6603	0.973	4	120.7702	3.158	42	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHH)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	121.3592	0.939	6	121.3592	0.882	6	120.7702	3.158	42	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHN)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHN)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	121.4910	0.013	2	121.4910	0.000	2	120.7702	3.158	42	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[5]HH)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	120.3010	0.000	1	120.3010	0.000	1	120.7702	3.158	42	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[5]HH)(CHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[5]HH)(CHH)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	118.9980	0.000	1	118.9980	0.000	1	120.7702	3.158	42	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[5a]HH)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[5a]HH)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	123.0230	0.000	1	123.0230	0.000	1	120.7702	3.158	42	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6]HH)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6]HH)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]C)(H)2	120.5710	0.000	1	120.5710	0.000	1	120.7702	3.158	42	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6a]HH)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	120.7490	0.000	1	120.7490	0.000	1	120.7702	3.158	42	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6a]HO)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	121.4840	1.147	2	121.4840	1.315	2	120.7702	3.158	42	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCo2C)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCo2C)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	121.2805	0.545	2	121.2805	0.297	2	120.7702	3.158	42	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CH3)(CHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CH3)(CHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	120.0840	1.491	4	120.0588	1.670	5	120.7702	3.158	42	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CH3)(CHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CH3)(CHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|H<1>,2|C<3>}	C(CC[6a]C)(H)2	119.9580	0.000	1	120.0588	1.670	5	120.7702	3.158	42	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CH3)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CH3)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|C<4>}	C(CC[6a]C)(H)2	113.2510	0.000	1	116.3330	18.997	2	120.7702	3.158	42	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CH3)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CH3)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	119.4150	0.000	1	116.3330	18.997	2	120.7702	3.158	42	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHHN)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHHN)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	123.3880	0.000	1	123.3880	0.000	1	120.7702	3.158	42	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHHO)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHHO)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	123.4050	0.069	2	123.4050	0.005	2	120.7702	3.158	42	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHHS)(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHHS)(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	119.7243	0.463	3	119.7243	0.215	3	120.7702	3.158	42	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CN[5]HH)(CHH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CN[5]HH)(CHH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(H)2	122.7370	0.000	1	122.7370	0.000	1	120.7702	3.158	42	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	N[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(CH3)(CHH)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(CCC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]N[6a])(CH3)(CHH)	C[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]Si)(CCC){1|O<1>,4|C<3>}	C(CC[6a]C)(H)2	118.5370	0.000	1	118.5370	0.000	1	118.5370	0.000	1	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]C)	C(CC[6a]C[5])(H)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(H)2	121.1150	0.000	1	121.1150	0.000	1	120.5847	0.606	8	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(H)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(H)2	119.0450	0.000	1	119.0450	0.000	1	120.5847	0.606	8	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(H)2	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(H)2	120.7530	0.533	6	120.7530	0.284	6	120.5847	0.606	8	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:I-1:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHI)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(H)(I)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHI)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(H)(I)	122.5990	0.000	1	122.5990	0.000	1	122.5990	0.000	1	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6]C)	C(CC[6a]C[6])(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6]C){2|H<1>,3|C<3>}	C(CC[6a]C[6])(H)2	122.8130	0.000	1	122.8130	0.000	1	121.1143	0.948	11	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHH)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(CC[6a]C[6])(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHH)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C(CC[6a]C[6])(H)2	120.9852	0.405	5	120.9852	0.164	5	121.1143	0.948	11	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHH)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(CC[6a]C[6])(H)2	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHH)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C(CC[6a]C[6])(H)2	119.6560	0.105	2	119.6560	0.011	2	121.1143	0.948	11	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(CC[6a]C[6])(H)2	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C(CC[6a]C[6])(H)2	121.7353	0.467	3	121.7353	0.218	3	121.1143	0.948	11	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(PC[6a]OO)(CHH)	C[6a](C[6a]C[6a]C)2(CCP)	C(CC[6a]P)(H)2	C(C[6a]C[6a]2)(PC[6a]OO)(CHH)	C[6a](C[6a]C[6a]C)2(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)(H)2	123.1020	0.146	2	123.1020	0.021	2	122.4323	1.356	3	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(PC[6a]OO)(CHH)	C[6a](C[6a]C[6a]H)2(CCP)	C(CC[6a]P)(H)2	C(C[6a]C[6a]2)(PC[6a]OO)(CHH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)(H)2	121.0930	0.000	1	121.0930	0.000	1	122.4323	1.356	3	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCS)	C(CC[6a]S)(H)2	C(C[6a]C[6a]2)(SC[6a]OO)(CHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCS){1|C<3>,1|F<1>,1|H<1>}	C(CC[6a]S)(H)2	125.7430	0.000	1	125.7430	0.000	1	125.7430	0.000	1	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:Si-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(SiC3)(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CSiC)	C(CC[6a]Si)(H)2	C(C[6a]C[6a]2)(SiC3)(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CSiC){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]Si)(H)2	119.0010	0.296	2	119.0010	0.087	2	119.3927	0.504	3	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:Si-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(SiC[6a]CC)(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CSiC)	C(CC[6a]Si)(H)2	C(C[6a]C[6a]2)(SiC[6a]CC)(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CSiC){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]Si)(H)2	120.1760	0.000	1	120.1760	0.000	1	119.3927	0.504	3	120.9205	2.843	82	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(CBrHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC)(H)	C(C[6a]C[6a]2)(CBrHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC)(H)	122.9910	0.000	1	122.9910	0.000	1	122.8095	0.066	2	122.5013	3.353	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(CCHO)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC)(H)	122.6280	0.000	1	122.6280	0.000	1	122.8095	0.066	2	122.5013	3.353	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:H-1:	C(C[6a]C[6a]2)(CCHH)(CHS)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(SC[6a])(H)	C(C[6a]C[6a]2)(CCHH)(CHS)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(SC[6a])(H)	119.8780	0.000	1	119.8780	0.000	1	119.8780	0.000	1	122.5013	3.353	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Se-2:H-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CSeH)	C[6a](C[6a]C[6a]H)2(CCP)	C(CC[6a]P)(SeC[6a])(H)	C(C[6a]C[6a]2)(PC[6a]2O)(CSeH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)(SeC[6a])(H)	122.3190	0.000	1	122.3190	0.000	1	122.3190	0.000	1	122.5013	3.353	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(SCOO)(CCH)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(CC)(H)	C(C[6a]C[6a]2)(SCOO)(CCH)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(CC)(H)	121.6828	0.738	5	121.6828	0.545	5	121.6828	0.545	5	122.5013	3.353	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:I-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CCI)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(CC)(I)	C(C[6a]C[6a]2)(SC[6a]OO)(CCI)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(CC)(I)	124.8990	0.000	1	124.8990	0.000	1	124.8990	0.000	1	122.5013	3.353	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CHN)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(NS)(H)	C(C[6a]C[6a]2)(SC[6a]OO)(CHN)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(NS)(H)	126.3850	0.000	1	126.3850	0.000	1	126.3850	0.000	1	122.5013	3.353	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:2:2:	C[6a]-3:C-4:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:O-2:C-2:	C(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(OC[6a])(CC)	C(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CCC){1|O<2>,4|C<3>}	C(CC[6a]C)(OC[6a])(CC)	122.6630	0.000	1	122.6630	0.000	1	122.6630	0.000	1	120.6363	3.595	16	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:2:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CC3)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC3)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CN)2	117.0460	0.000	1	117.0460	0.000	1	120.7526	4.305	9	120.6363	3.595	16	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:2:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCCH)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCCH)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CN)2	117.9740	0.000	1	117.9740	0.000	1	120.7526	4.305	9	120.6363	3.595	16	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:2:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCHH)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCHH)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CN)2	120.8620	0.000	1	120.8620	0.000	1	120.7526	4.305	9	120.6363	3.595	16	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:2:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CC[5]HH)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC[5]HH)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CN)2	121.4005	1.619	2	121.4005	2.620	2	120.7526	4.305	9	120.6363	3.595	16	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:2:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CH3)(CCC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CH3)(CCC)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CCC){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]C)(CN)2	120.9820	0.000	1	120.9820	0.000	1	120.7526	4.305	9	120.6363	3.595	16	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:2:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CH3)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CH3)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]C)(CN)2	122.1900	0.000	1	122.3693	0.809	3	120.7526	4.305	9	120.6363	3.595	16	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:2:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CH3)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CH3)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CN)2	122.4590	1.253	2	122.3693	0.809	3	120.7526	4.305	9	120.6363	3.595	16	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:2:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:C-2:	C(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OC[6a])(CC)	C(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC[6a])(CC)	123.2110	0.000	1	123.2110	0.000	1	121.9540	3.160	2	120.6363	3.595	16	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:2:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:C-2:	C(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(OC[6a])(CN)	C(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(OC[6a])(CN)	120.6970	0.000	1	120.6970	0.000	1	121.9540	3.160	2	120.6363	3.595	16	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:2:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-2:	C(C[6a]C[6a]2)(CH3)(COO)	C[6a](C[6a]C[6a]F)2(CCC)	C(CC[6a]C)(OB)(OC)	C(C[6a]C[6a]2)(CH3)(COO)	C[6a](C[6a]C[6a]F)2(CCC){1|C<3>,2|F<1>}	C(CC[6a]C)(OB)(OC)	119.4020	0.557	2	119.4020	0.310	2	119.4020	0.310	2	120.6363	3.595	16	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:2:2:	C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S-2:C-2:	C(C[6a]C[6a]2)(C[3]C[3]2H)(CCS)	C[6a](C[6a]C[6a]H)2(CC[3]C)	C(CC[6a]C[3])(SC[6a])(CN)	C(C[6a]C[6a]2)(C[3]C[3]2H)(CCS)	C[6a](C[6a]C[6a]H)2(CC[3]C){1|C<3>,2|H<1>}	C(CC[6a]C[3])(SC[6a])(CN)	118.9490	0.000	1	118.9490	0.000	1	118.9490	0.000	1	120.6363	3.595	16	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:2:2:	C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCC)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(CN)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCC)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CN)2	119.0840	0.000	1	119.0840	0.000	1	119.0840	0.000	1	120.6363	3.595	16	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:2:4:	C[6a]-3:C-4:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:O-2:C-4:	C(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(OC[6a])(CCHH)	C(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CCC){1|H<1>,4|C<3>}	C(CC[6a]C)(OC[6a])(CCHH)	122.1790	0.000	1	122.1790	0.000	1	122.1790	0.000	1	121.3840	1.264	2	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:2:4:	C[6a]-3:P[6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:C-4:	C(C[6a]C[6a]2)(P[6]O[6]2O)(CCO)	C[6a](C[6a]C[6a]H)2(CP[6]C)	C(CC[6a]P[6])(OC[6a])(CH3)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CCO)	C[6a](C[6a]C[6a]H)2(CP[6]C){1|C<3>,2|H<1>}	C(CC[6a]P[6])(OC[6a])(CH3)	120.5890	0.000	1	120.5890	0.000	1	120.5890	0.000	1	121.3840	1.264	2	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[5,6a]C[6a])(CCHH)(CCH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCC)	C(CC[6a]C)(COO)(H)	C(C[6a]C[5,6a]C[6a])(CCHH)(CCH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(CC[6a]C)(COO)(H)	120.1650	0.000	1	120.1650	0.000	1	120.1650	0.000	1	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[5a,6a]C[6a])(CH3)(CCH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CNO)(H)	C(C[6a]C[5a,6a]C[6a])(CH3)(CCH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(CC[6a]C)(CNO)(H)	120.5947	0.180	3	120.3930	0.184	4	120.3930	0.184	4	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[5a,6a]C[6a])(CH3)(CCH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CNO)(H)	C(C[6a]C[5a,6a]C[6a])(CH3)(CCH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC){1|O<2>,2|C<3>,2|H<1>}	C(CC[6a]C)(CNO)(H)	119.7880	0.000	1	120.3930	0.184	4	120.3930	0.184	4	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CH3)(CCH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(CCH)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CCC){2|H<1>,3|C<3>}	C(CC[6a]C)(CCH)(H)	118.4905	0.241	2	118.4905	0.058	2	118.4905	0.058	2	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CBrHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CBrC)(H)	C(C[6a]C[6a]2)(CBrHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CBrC)(H)	121.3000	0.000	1	121.3000	0.000	1	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CBrHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CBrHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCO)(H)	119.6050	0.000	1	119.6050	0.000	1	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]C)2(CCC)	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]C)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)2(H)	124.6330	0.000	1	124.6330	0.000	1	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCC)(H)	118.7660	0.000	1	118.7660	0.000	1	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(H)	121.1950	0.000	1	121.1950	0.000	1	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCO)(H)	118.8170	0.000	1	118.8170	0.000	1	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]O)(H)	119.6340	0.000	1	119.6340	0.000	1	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CNO)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CNO)(H)	119.3970	0.000	1	119.3970	0.000	1	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(COO)(H)	121.3090	0.000	1	121.3090	0.000	1	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)2(H)	121.2990	0.000	1	121.2990	0.000	1	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCHO)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(H)	122.7160	0.000	1	122.7160	0.000	1	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(H)	120.3610	0.000	1	120.3610	0.000	1	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]HH)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCC)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCC)(H)	124.8520	0.000	1	124.8520	0.000	1	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]HO)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(H)	124.4375	0.605	2	124.4375	0.366	2	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CClHH)(CCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CClHH)(CCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCO)(H)	119.0990	0.000	1	119.0990	0.000	1	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CF3)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CF3)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCO)(H)	125.4720	0.000	1	125.4720	0.000	1	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CF3)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CF3)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(COO)(H)	126.5310	0.000	1	126.5310	0.000	1	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CFSS)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CFSS)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]O)(H)	124.3490	0.000	2	124.3490	0.000	2	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCC){1|H<1>,1|O<2>,3|C<3>}	C(CC[6a]C)(CC[6a]O)(H)	123.1500	0.000	1	122.5485	0.724	2	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCC){2|H<1>,3|C<3>}	C(CC[6a]C)(CC[6a]O)(H)	121.9470	0.000	1	122.5485	0.724	2	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCC)(H)	126.6923	0.893	3	126.6923	0.797	3	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC)	C(CC[6a]C)(CC[6]C)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CCC){1|Br<1>,1|C<3>,1|H<1>}	C(CC[6a]C)(CC[6]C)(H)	125.3650	0.000	1	125.3650	0.000	1	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCC)(H)	125.3620	3.599	3	125.3620	12.950	3	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCC)	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CCC){1|C<3>,1|H<1>}	C(CC[6a]C)2(H)	116.3830	0.000	1	116.3830	0.000	1	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[5a]O)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[5a]O)(CC[6a]C)(H)	119.9450	0.000	1	119.9450	0.000	1	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(H)	120.9740	0.000	1	120.9740	0.000	1	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]N)(H)	119.9750	0.000	1	119.9750	0.000	1	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CHHO)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(H)	124.7790	0.000	1	124.7790	0.000	1	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CHHS)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHHS)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]O)(H)	121.4245	0.142	2	121.4245	0.020	2	122.6136	8.550	36	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:Cl-1:	C(C[6a]C[6a]2)(CC[6a]2H)(CClN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NCS)(Cl)	C(C[6a]C[6a]2)(CC[6a]2H)(CClN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NCS)(Cl)	117.5870	0.000	1	117.5870	0.000	1	117.5870	0.000	1	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CCHH)(CHN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NC[6]S)(H)	C(C[6a]C[6a]2)(CCHH)(CHN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6]S)(H)	119.2870	0.000	1	119.2870	0.000	1	122.0897	11.748	10	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CC[6]HO)(CHN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NCS)(H)	C(C[6a]C[6a]2)(CC[6]HO)(CHN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NCS)(H)	123.0455	0.279	4	123.0455	0.078	4	122.0897	11.748	10	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CF3)(CHN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NOO)(H)	C(C[6a]C[6a]2)(CF3)(CHN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,1|H<1>,1|O<2>}	C(CC[6a]C)(NOO)(H)	128.7620	0.000	1	128.7620	0.000	1	122.0897	11.748	10	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CH3)(CHN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NCC)(H)	C(C[6a]C[6a]2)(CH3)(CHN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NCC)(H)	120.9420	3.705	3	120.9420	13.729	3	122.0897	11.748	10	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHHS)(CHN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(NOO)(H)	C(C[6a]C[6a]2)(CHHS)(CHN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NOO)(H)	117.8400	0.000	1	117.8400	0.000	1	122.0897	11.748	10	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]HN)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[5a]C[5a]N[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a]C)(H)	121.5570	0.000	1	121.5570	0.000	1	121.5570	0.000	1	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:Br-1:	C(C[6a]C[6a]2)(CC[6a]2H)(CN[5]Br)	C[6a](C[6a]C[6a]H)2(CCC)	C(N[5]C[5]2)(CC[6a]C)(Br)	C(C[6a]C[6a]2)(CC[6a]2H)(CN[5]Br)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CC[6a]C)(Br)	121.6620	0.000	1	121.6620	0.000	1	121.6620	0.000	1	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:Cl-1:	C(C[6a]C[6a]2)(CC[6a]2H)(CN[5]Cl)	C[6a](C[6a]C[6a]H)2(CCC)	C(N[5]C[5]2)(CC[6a]C)(Cl)	C(C[6a]C[6a]2)(CC[6a]2H)(CN[5]Cl)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CC[6a]C)(Cl)	121.2970	0.000	1	121.2970	0.000	1	121.2970	0.000	1	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5]H)	C[6a](C[6a]C[6a]H)2(CCC)	C(N[5]C[5]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CN[5]H)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CC[6a]C)(H)	117.8850	0.908	2	117.8850	0.824	2	117.8850	0.824	2	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2H)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	124.0085	0.182	2	124.0085	0.033	2	124.0085	0.033	2	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6a]C[6a]2)(CC[6a]C[6])(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[6])(H)	123.3600	0.321	2	123.3600	0.103	2	123.3600	0.103	2	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:Ge-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(GeC[6a]3)(CHN)	C[6a](C[6a]C[6a]H)2(CGeC)	C(CC[6a]Ge)(NC[6a]C)(H)	C(C[6a]C[6a]2)(GeC[6a]3)(CHN)	C[6a](C[6a]C[6a]H)2(CGeC){1|C<3>,2|H<1>}	C(CC[6a]Ge)(NC[6a]C)(H)	123.9930	0.000	1	123.9930	0.000	1	123.9930	0.000	1	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:Ge-4:C-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:H-1:	C(C[6a]C[6a]2)(GeC[6a]3)(CN[5]H)	C[6a](C[6a]C[6a]H)2(CGeC)	C(N[5]C[5]2)(CC[6a]Ge)(H)	C(C[6a]C[6a]2)(GeC[6a]3)(CN[5]H)	C[6a](C[6a]C[6a]H)2(CGeC){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CC[6a]Ge)(H)	126.2405	1.180	2	126.2405	1.393	2	126.2405	1.393	2	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(PC[6a]2N)(CCH)	C[6a](C[6a]C[6a]H)2(CCP)	C(CC[6a]P)(COO)(H)	C(C[6a]C[6a]2)(PC[6a]2N)(CCH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)(COO)(H)	123.5350	0.000	1	123.5350	0.000	1	123.5350	0.000	1	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CHN)	C[6a](C[6a]C[6a]H)2(CCP)	C(CC[6a]P)(NCH)(H)	C(C[6a]C[6a]2)(PC[6a]2O)(CHN)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)(NCH)(H)	120.1950	2.628	2	120.1950	6.904	2	120.1950	6.904	2	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(PC[6a]2Pt)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CCP)	C(C[6a]C[6a]2)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]2Pt)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]P)(H)	120.2520	0.833	2	120.2520	0.694	2	120.2520	0.694	2	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:S-4:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(SCOO)(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCS)	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a,6a]C[6a])(SCOO)(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCS){2|H<1>,3|C<3>}	C(CC[6a]O)(CC[6a]S)(H)	126.1650	0.000	1	126.1650	0.000	1	126.1650	0.000	1	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:S-4:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCS){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]S)(H)	130.9280	0.000	1	130.9280	0.000	1	130.9280	0.000	1	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:S-4:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:I-1:	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCS)	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(I)	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCS){2|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(I)	126.3655	0.391	2	126.3655	0.153	2	126.6395	1.345	4	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:S-4:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:I-1:	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(I)	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]I)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCS){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]S)(I)	126.9135	1.893	2	126.9135	3.583	2	126.6395	1.345	4	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(CNO)(H)	C(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(CNO)(H)	125.8690	0.000	1	125.8690	0.000	1	125.8690	0.000	1	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Br-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]Br)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(Br)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]Br)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(Br)	121.1870	0.000	1	121.1870	0.000	1	121.1870	0.000	1	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(CC[6a]S)(H)	130.1910	1.622	2	128.9080	2.918	5	128.9080	2.918	5	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(H)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(H)	128.0527	1.333	3	128.9080	2.918	5	128.9080	2.918	5	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Se-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]Se)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(Se)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]Se)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(Se)	121.2290	0.000	1	121.2290	0.000	1	121.2290	0.000	1	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:Si-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(SiC3)(CCH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CSiC)	C(CC[6a]Si)(CC[6a]O)(H)	C(C[6a]C[6a]2)(SiC3)(CCH)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CSiC){1|H<1>,2|C<3>}	C(CC[6a]Si)(CC[6a]O)(H)	117.7060	0.000	1	117.7060	0.000	1	117.7060	0.000	1	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:Si-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(SiCCH)(CHN)	C[6a](C[6a]C[6a]H)2(CSiC)	C(CC[6a]Si)(NC[6]S)(H)	C(C[6a]C[6a]2)(SiCCH)(CHN)	C[6a](C[6a]C[6a]H)2(CSiC){1|C<3>,2|H<1>}	C(CC[6a]Si)(NC[6]S)(H)	117.0370	0.000	1	117.0370	0.000	1	117.0370	0.000	1	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:Si-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(SiC[6a]2Si)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CSiC)	C(C[6a]C[6a]2)(CC[6a]Si)(H)	C(C[6a]C[6a]2)(SiC[6a]2Si)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CSiC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]Si)(H)	123.3218	0.873	6	123.3218	0.763	6	123.2229	0.704	7	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:Si-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(SiC[6a]3)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CSiC)	C(C[6a]C[6a]2)(CC[6a]Si)(H)	C(C[6a]C[6a]2)(SiC[6a]3)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CSiC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]Si)(H)	122.6290	0.000	1	122.6290	0.000	1	123.2229	0.704	7	122.7766	11.216	94	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CHHN)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCC)(CC)	C(C[6a]C[6a]2)(CHHN)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCC)(CC)	123.5260	0.000	1	123.5260	0.000	1	123.5260	0.000	1	121.7135	2.917	15	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)(OC)	C(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(OC)	120.7000	0.000	1	120.7000	0.000	1	120.7807	0.558	4	121.7135	2.917	15	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(CHHN)(CCO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCH)(OC)	C(C[6a]C[6a]2)(CHHN)(CCO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCH)(OC)	120.8077	0.913	3	120.8077	0.833	3	120.7807	0.558	4	121.7135	2.917	15	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:S-2:	C(C[6a]C[6a]2)(CH3)(CCS)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CN[5]O)(SC[6a])	C(C[6a]C[6a]2)(CH3)(CCS)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CN[5]O)(SC[6a])	122.7120	0.000	1	122.7120	0.000	1	122.7120	0.000	1	121.7135	2.917	15	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CN)	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(CN)	121.2510	0.000	1	121.2510	0.000	1	121.2510	0.000	1	121.7135	2.917	15	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[3]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(OS)	C(C[6a]C[6a]2)(CC[3]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(OS)	119.3755	0.599	2	119.3755	0.359	2	119.3755	0.359	2	121.7135	2.917	15	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:Ge-4:C-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:C-2:	C(C[6a]C[6a]2)(GeC[6a]3)(CN[5]C)	C[6a](C[6a]C[6a]H)2(CGeC)	C(N[5]C[5]2)(CC[6a]Ge)(CC)	C(C[6a]C[6a]2)(GeC[6a]3)(CN[5]C)	C[6a](C[6a]C[6a]H)2(CGeC){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CC[6a]Ge)(CC)	121.5910	0.000	1	121.5910	0.000	1	121.5910	0.000	1	121.7135	2.917	15	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:N-2:	C(C[6a]C[6a]2)(PC[6a]3)(CNN)	C[6a](C[6a]C[6a]H)2(CCP)	C(CC[6a]P)(NC[6a]C)(NS)	C(C[6a]C[6a]2)(PC[6a]3)(CNN)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)(NC[6a]C)(NS)	125.3300	0.000	1	125.3300	0.000	1	123.7023	3.940	3	121.7135	2.917	15	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:N-2:	C(C[6a]C[6a]2)(PC[6a]3)(CNN)	C[6a](C[6a]C[6a]H)2(CCP)	C(CC[6a]P)(NC[6a]H)(NS)	C(C[6a]C[6a]2)(PC[6a]3)(CNN)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)(NC[6a]H)(NS)	122.8885	1.976	2	122.8885	3.906	2	123.7023	3.940	3	121.7135	2.917	15	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:S-4:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Se-2:	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]Se)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(SeC[6a])	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]Se)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCS){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6a]S)(SeC[6a])	122.0530	0.000	1	122.0530	0.000	1	122.0530	0.000	1	121.7135	2.917	15	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(OC)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(OC)	121.5890	0.000	1	121.5890	0.000	1	121.5890	0.000	1	121.7135	2.917	15	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(BC[6a]NO)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]NO)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	118.5175	0.383	2	118.5175	0.146	2	118.5175	0.146	2	120.6033	5.462	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:P-3:	C(C[6a]C[6a]2)(BC[6a]2C)(CC[6a]P)	C[6a](C[6a]C[6a]F)2(CBC)	C(C[6a]C[6a]2)(CC[6a]B)(PC[6a]2)	C(C[6a]C[6a]2)(BC[6a]2C)(CC[6a]P)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CC[6a]B)(PC[6a]2)	116.6160	0.000	1	116.6160	0.000	1	116.6160	0.000	1	120.6033	5.462	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2F)(CC[6a]2)	C[6a](C[6a]C[6a]F)2(CBC)	C(C[6a]C[6a]2)2(CC[6a]B)	C(C[6a]C[6a]2)(BC[6a]2F)(CC[6a]2)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)2(CC[6a]B)	116.4365	0.455	2	116.4365	0.207	2	116.8863	0.710	3	120.6033	5.462	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2H)(CC[6a]2)	C[6a](C[6a]C[6a]F)2(CBC)	C(C[6a]C[6a]2)2(CC[6a]B)	C(C[6a]C[6a]2)(BC[6a]2H)(CC[6a]2)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)2(CC[6a]B)	117.7860	0.000	1	117.7860	0.000	1	116.8863	0.710	3	120.6033	5.462	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CH3)(CCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CCC)(CCH)	C(C[6a]C[6a]2)(CH3)(CCC)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CCC){2|H<1>,3|C<3>}	C(CC[6a]C)(CCC)(CCH)	120.9165	0.429	2	120.9165	0.184	2	120.9165	0.184	2	120.6033	5.462	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(CCHH)(CCN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CN[5]O)(NCH)	C(C[6a]C[6a]2)(CCHH)(CCN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CN[5]O)(NCH)	122.0420	0.000	1	122.0420	0.000	1	122.3430	3.432	4	120.6033	5.462	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(CCHH)(CCN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(COO)(NCH)	C(C[6a]C[6a]2)(CCHH)(CCN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(COO)(NCH)	120.3310	0.000	1	120.3310	0.000	1	122.3430	3.432	4	120.6033	5.462	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]HO)(CCN)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(COO)(NCH)	C(C[6a]C[6a]2)(CC[6a]HO)(CCN)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(COO)(NCH)	123.4995	1.866	2	123.4995	3.482	2	122.3430	3.432	4	120.6033	5.462	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2C)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]2C)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)2	117.5430	0.000	1	117.5430	0.000	1	120.6873	2.184	9	120.6033	5.462	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]2O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)2	119.6820	0.000	1	119.6820	0.000	1	120.6873	2.184	9	120.6033	5.462	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)2	121.5344	0.750	5	121.5344	0.563	5	120.6873	2.184	9	120.6033	5.462	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]HO)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]HO)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)2	120.6445	0.853	2	120.6445	0.728	2	120.6873	2.184	9	120.6033	5.462	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[3]HH)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[3]HH)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]C)	122.1870	0.000	1	122.1870	0.000	1	122.1870	0.000	1	120.6033	5.462	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6a]C[6a]2)(CC[6a]C[6])(CC[6a]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[6])(CC[6a]C)	121.4400	0.000	1	121.4400	0.000	1	121.4400	0.000	1	120.6033	5.462	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(PC[6a]2Mo)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCP)	C(C[6a]C[6a]2)(CC[6a]P)(CMoO)	C(C[6a]C[6a]2)(PC[6a]2Mo)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]P)(CMoO)	124.2930	0.000	1	124.2930	0.000	1	124.3260	0.002	2	120.6033	5.462	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(PC[6a]2W)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCP)	C(C[6a]C[6a]2)(CC[6a]P)(COW)	C(C[6a]C[6a]2)(PC[6a]2W)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]P)(COW)	124.3590	0.000	1	124.3590	0.000	1	124.3260	0.002	2	120.6033	5.462	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-3:C-3:	C(C[6a]C[6a]2)(PC[6a]2Pt)(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CCP)	C(C[6a]C[6a]2)(PC[6a]Pt)(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]2Pt)(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(PC[6a]Pt)(CC[6a]P)	120.2770	0.000	1	120.2770	0.000	1	120.2770	0.000	1	120.6033	5.462	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(NHH)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(NHH)	123.2530	0.000	1	123.2530	0.000	1	123.2530	0.000	1	120.6033	5.462	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:Si-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(SiC[6a]CC)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CSiC)	C(C[6a]C[6a]2)2(CC[6a]Si)	C(C[6a]C[6a]2)(SiC[6a]CC)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CSiC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(CC[6a]Si)	119.3820	0.000	1	119.3820	0.000	1	119.3820	0.000	1	120.6033	5.462	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:4:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CHHO)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)2(CH3)	C(C[6a]C[6a]2)(CHHO)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)2(CH3)	124.7290	0.000	1	124.7290	0.000	1	122.9553	2.425	3	121.9228	6.136	6	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:4:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CHHS)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CHHS)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6a]O)(CH3)	122.0685	0.361	2	122.0685	0.131	2	122.9553	2.425	3	121.9228	6.136	6	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:4:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:P-4:	C(C[6a]C[6a]2)(CC[3]HH)(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(PCuCC)	C(C[6a]C[6a]2)(CC[3]HH)(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(PCuCC)	120.4910	0.000	1	120.4910	0.000	1	120.4910	0.000	1	121.9228	6.136	6	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:4:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCS)	C(C[6a]C[6a]2)(CC[6a]S)(CCHH)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]S)(CCHH)	124.1880	0.000	1	124.1880	0.000	1	124.1880	0.000	1	121.9228	6.136	6	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:3:4:	C[6a]-3:Si-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:Si-4:	C(C[6a]C[6a]2)(SiC[5]ClN)(CC[6a]Si)	C[6a](C[6a]C[6a]H)2(CSiC)	C(C[6a]C[6a]2)(CC[6a]Si)(SiC3)	C(C[6a]C[6a]2)(SiC[5]ClN)(CC[6a]Si)	C[6a](C[6a]C[6a]H)2(CSiC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]Si)(SiC3)	117.9920	0.000	1	117.9920	0.000	1	117.9920	0.000	1	121.9228	6.136	6	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(BC[6a]2C)(CCH)	C[6a](C[6a]C[6a]F)2(CBC)	C(CC[6a]B)(CCHH)(H)	C(C[6a]C[6a]2)(BC[6a]2C)(CCH)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	C(CC[6a]B)(CCHH)(H)	116.8050	0.025	2	116.8050	0.001	2	118.8093	12.052	3	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(BC[6a]2H)(CCH)	C[6a](C[6a]C[6a]F)2(CBC)	C(CC[6a]B)(CC3)(H)	C(C[6a]C[6a]2)(BC[6a]2H)(CCH)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	C(CC[6a]B)(CC3)(H)	122.8180	0.000	1	122.8180	0.000	1	118.8093	12.052	3	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[5,6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[5,6a]C[6a])(CH3)(CCH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(CCC)	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[5,6a]C[6a])(CH3)(CCH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(CCC){1|O<2>,2|H<1>,3|C<3>}	C(CC[6a]C)(CCHH)(H)	122.0840	0.000	1	122.0840	0.000	1	122.0840	0.000	1	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:Br-1:	C(C[6a]C[6a]2)(CCHH)(CBrC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCHH)(Br)	C(C[6a]C[6a]2)(CCHH)(CBrC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCHH)(Br)	124.4230	0.000	1	124.4230	0.000	1	124.4230	0.000	1	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:F-1:	C(C[6a]C[6a]2)(CCHH)(CCF)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CF3)(F)	C(C[6a]C[6a]2)(CCHH)(CCF)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CF3)(F)	120.2910	0.000	1	120.2910	0.000	1	120.2910	0.000	1	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CC3)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CH3)(H)	C(C[6a]C[6a]2)(CC3)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CH3)(H)	123.3920	0.000	1	123.3920	0.000	1	120.4193	3.036	37	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCCH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CH3)(H)	C(C[6a]C[6a]2)(CCCH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CH3)(H)	124.2510	0.000	1	124.2510	0.000	1	120.4193	3.036	37	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCC)	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCC){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]C)(CCHH)(H)	119.5775	0.619	4	119.5775	0.384	4	120.4193	3.036	37	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCCO)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCCO)(H)	117.7815	1.429	2	117.7815	2.042	2	120.4193	3.036	37	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CHHN)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CHHN)(H)	119.8418	1.202	4	119.8418	1.444	4	120.4193	3.036	37	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CHHO)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CHHO)(H)	119.3050	0.000	1	119.3050	0.000	1	120.4193	3.036	37	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[5]HO)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(CC[6a]C)(CH3)(H)	C(C[6a]C[6a]2)(CC[5]HO)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CH3)(H)	122.6100	0.059	2	122.6100	0.004	2	120.4193	3.036	37	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]C)2(CCC)	C(CC[6a]C)(CHHN)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]C)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CHHN)(H)	118.3660	0.000	1	118.3660	0.000	1	120.4193	3.036	37	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CCC)	C(CC[6a]C)(CH3)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(CCC){1|C<3>,2|O<2>}	C(CC[6a]C)(CH3)(H)	118.2910	0.000	1	118.2910	0.000	1	120.4193	3.036	37	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCHS)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCHS)(H)	119.2667	1.145	3	119.2667	1.311	3	120.4193	3.036	37	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC)	C(CC[6a]C)(CHHN)(H)	C(C[6a]C[6a]2)(CHHN)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCC){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]C)(CHHN)(H)	119.5690	0.000	1	119.5690	0.000	1	120.4193	3.036	37	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CHHN)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CHHN)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCHH)(H)	119.1760	1.168	2	119.1760	1.365	2	120.4193	3.036	37	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CHHO)(CCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CHHO)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CCC){1|H<1>,2|C<3>}	C(CC[6a]C)(CHHO)(H)	122.2930	0.000	1	122.2930	0.000	1	120.4193	3.036	37	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CHHO)(CCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CHHN)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CHHN)(H)	119.8240	0.000	1	119.8240	0.000	1	120.4193	3.036	37	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CHHO)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCHH)(H)	122.2930	1.053	4	122.2930	1.110	4	120.4193	3.036	37	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CHHO)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CHHN)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CHHN)(H)	121.3767	0.869	3	121.3767	0.756	3	120.4193	3.036	37	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CHHO)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CHHO)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CHHO)(H)	120.5495	0.914	2	120.5495	0.836	2	120.4193	3.036	37	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CHHO)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CHHS)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CHHS)(H)	121.0290	0.256	2	121.0290	0.066	2	120.4193	3.036	37	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CN[5]HH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CHHN)(H)	C(C[6a]C[6a]2)(CN[5]HH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CHHN)(H)	119.1510	0.000	1	119.1510	0.000	1	120.4193	3.036	37	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:H-1:	C(C[6a]C[6a]2)(CCHH)(CSiH)	C[6a](C[6a]C[6a]C)2(CCC)	C(CC[6a]C)(SiSi2C)(H)	C(C[6a]C[6a]2)(CCHH)(CSiH)	C[6a](C[6a]C[6a]C)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(SiSi2C)(H)	119.4030	0.000	1	119.4030	0.000	1	119.4030	0.000	1	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]C)	C(CC[6a]C[5])(CH3)(H)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CH3)(H)	118.7290	0.000	1	118.7290	0.000	1	118.7290	0.000	1	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:B-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CBH)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(CC[6a]C[6])(BC[6a]3)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CBH)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C(CC[6a]C[6])(BC[6a]3)(H)	124.3080	0.000	1	124.3080	0.000	1	124.3080	0.000	1	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CSiH)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(CC[6a]C[6])(SiC3)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CSiH)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C(CC[6a]C[6])(SiC3)(H)	118.8990	0.000	1	118.8990	0.000	1	118.8990	0.000	1	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:Ge-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:P-4:H-1:	C(C[6a]C[6a]2)(GeC[6a]3)(CHP)	C[6a](C[6a]C[6a]H)2(CGeC)	C(CC[6a]Ge)(PO3)(H)	C(C[6a]C[6a]2)(GeC[6a]3)(CHP)	C[6a](C[6a]C[6a]H)2(CGeC){1|C<3>,2|H<1>}	C(CC[6a]Ge)(PO3)(H)	124.5060	0.000	1	124.5060	0.000	1	124.5060	0.000	1	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCH)	C[6a](C[6a]C[6a]H)2(CCP)	C(CC[6a]P)(CCCO)(H)	C(C[6a]C[6a]2)(PC[6a]2O)(CCH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)(CCCO)(H)	117.9640	0.000	1	117.9640	0.000	1	117.9640	0.000	1	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:I-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCP)	C(CC[6a]P)(CFHH)(I)	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)(CFHH)(I)	123.1100	0.000	1	123.1100	0.000	1	122.3317	1.947	11	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:I-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCP)	C(CC[6a]P)(CHHI)(I)	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)(CHHI)(I)	122.7550	0.000	1	122.7550	0.000	1	122.3317	1.947	11	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:I-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCP)	C(CC[6a]P)(CHHN)(I)	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)(CHHN)(I)	122.2270	0.000	1	122.2270	0.000	1	122.3317	1.947	11	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:I-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C[6a](C[6a]C[6a]H)2(CCP)	C(CC[6a]P)(CFHH)(I)	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)(CFHH)(I)	122.7940	0.919	4	122.7940	0.845	4	122.3317	1.947	11	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:I-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C[6a](C[6a]C[6a]H)2(CCP)	C(CC[6a]P)(CHHI)(I)	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)(CHHI)(I)	124.2730	0.000	1	124.2730	0.000	1	122.3317	1.947	11	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:I-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C[6a](C[6a]C[6a]H)2(CCP)	C(CC[6a]P)(CHHN)(I)	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(CC[6a]P)(CHHN)(I)	120.7027	1.333	3	120.7027	1.777	3	122.3317	1.947	11	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:P[6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:I-1:	C(C[6a]C[6a]2)(P[6]O[6]2O)(CCI)	C[6a](C[6a]C[6a]H)2(CP[6]C)	C(CC[6a]P[6])(CFHH)(I)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CCI)	C[6a](C[6a]C[6a]H)2(CP[6]C){1|C<3>,2|H<1>}	C(CC[6a]P[6])(CFHH)(I)	123.4310	0.000	1	123.4310	0.000	1	123.4310	0.000	1	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(SNOO)(CCH)	C[6a](C[6a]C[6a]H)2(CCS)	C(CC[6a]S)(CF3)(H)	C(C[6a]C[6a]2)(SNOO)(CCH)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(CC[6a]S)(CF3)(H)	128.8840	0.000	1	128.8840	0.000	1	128.8840	0.000	1	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:Si-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:H-1:	C(C[6a]C[6a]2)(SiC[6a]3)(CSiH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CSiC)	C(CC[6a]Si)(SiC3)(H)	C(C[6a]C[6a]2)(SiC[6a]3)(CSiH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CSiC){1|H<1>,2|C<3>}	C(CC[6a]Si)(SiC3)(H)	122.7610	0.000	1	122.7610	0.000	1	121.7583	0.978	3	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:Si-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:H-1:	C(C[6a]C[6a]2)(SiC[6a]3)(CSiH)	C[6a](C[6a]C[6a]H)2(CSiC)	C(CC[6a]Si)(SiC3)(H)	C(C[6a]C[6a]2)(SiC[6a]3)(CSiH)	C[6a](C[6a]C[6a]H)2(CSiC){1|C<3>,2|H<1>}	C(CC[6a]Si)(SiC3)(H)	121.7300	0.000	1	121.2570	0.447	2	121.7583	0.978	3	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:Si-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:H-1:	C(C[6a]C[6a]2)(SiC[6a]3)(CSiH)	C[6a](C[6a]C[6a]H)2(CSiC)	C(CC[6a]Si)(SiC3)(H)	C(C[6a]C[6a]2)(SiC[6a]3)(CSiH)	C[6a](C[6a]C[6a]H)2(CSiC){1|C<3>,2|O<2>}	C(CC[6a]Si)(SiC3)(H)	120.7840	0.000	1	121.2570	0.447	2	121.7583	0.978	3	121.0121	5.140	65	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-2:	C(C[6a]C[6a]2)(CCHH)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CF3)(CC)	C(C[6a]C[6a]2)(CCHH)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CF3)(CC)	124.3850	0.000	1	124.3850	0.000	1	124.3850	0.000	1	121.7637	6.361	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:Ge-2:	C(C[6a]C[6a]2)(CCHH)(CGeC)	C[6a](C[6a]C[6a]C)2(CCC)	C(CC[6a]C)(CCHH)(GeBr)	C(C[6a]C[6a]2)(CCHH)(CGeC)	C[6a](C[6a]C[6a]C)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCHH)(GeBr)	119.3540	0.000	1	119.3540	0.000	1	119.3540	0.000	1	121.7637	6.361	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CCHH)(OSi)	C(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCHH)(OSi)	121.5520	0.000	1	121.5520	0.000	1	121.5520	0.000	1	121.7637	6.361	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:C-4:C-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:Si-4:C-3:	C(C[6a]C[6a,6a]2)(CHHO)(CSiC)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCC)	C(CC[6a]C)(SiC3)(CHH)	C(C[6a]C[6a,6a]2)(CHHO)(CSiC)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CCC){2|H<1>,5|C<3>}	C(CC[6a]C)(SiC3)(CHH)	113.4590	0.263	2	113.4590	0.069	2	113.4590	0.069	2	121.5009	13.222	15	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CC3)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CHHO)(COO)	C(C[6a]C[6a]2)(CC3)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CHHO)(COO)	120.8830	0.000	1	120.8830	0.000	1	121.8083	0.779	4	121.5009	13.222	15	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCHH)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CCHH)(CNO)	C(C[6a]C[6a]2)(CCHH)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCHH)(CNO)	121.3600	0.000	1	121.3600	0.000	1	121.8083	0.779	4	121.5009	13.222	15	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCHH)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(CCHH)(CPdN)	C(C[6a]C[6a]2)(CCHH)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CCHH)(CPdN)	122.0850	0.000	1	122.0850	0.000	1	121.8083	0.779	4	121.5009	13.222	15	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CH3)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CHHN)(CCH)	C(C[6a]C[6a]2)(CH3)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CHHN)(CCH)	122.9050	0.000	1	122.9050	0.000	1	121.8083	0.779	4	121.5009	13.222	15	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:C-3:	C(C[6a]C[6a]2)(CC[5]HH)(CSiC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(SiC3)(CNO)	C(C[6a]C[6a]2)(CC[5]HH)(CSiC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(SiC3)(CNO)	122.3100	0.000	1	122.3100	0.000	1	122.3100	0.000	1	121.5009	13.222	15	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:C-3:	C(C[6a]C[6a]2)(PC[6a]2Pt)(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CCP)	C(C[6a]C[6a]2)(PC[6a]PtC)(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]2Pt)(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(PC[6a]PtC)(CC[6a]P)	122.2100	0.000	1	122.2100	0.000	1	124.0382	2.162	6	121.5009	13.222	15	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:C-3:	C(C[6a]C[6a]2)(PC[6a]Os2)(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CCP)	C(C[6a]C[6a]2)(PC[6a]Os2)(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]Os2)(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(PC[6a]Os2)(CC[6a]P)	124.1015	0.892	2	124.1015	0.795	2	124.0382	2.162	6	121.5009	13.222	15	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:C-3:	C(C[6a]C[6a]2)(PC[6a]Os2)(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CCP)	C(C[6a]C[6a]2)(PC[6a]OsP)(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]Os2)(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(PC[6a]OsP)(CC[6a]P)	122.8480	0.000	1	122.8480	0.000	1	124.0382	2.162	6	121.5009	13.222	15	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:C-3:	C(C[6a]C[6a]2)(PC[6a]OsP)(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CCP)	C(C[6a]C[6a]2)(PC[6a]Os2)(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]OsP)(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(PC[6a]Os2)(CC[6a]P)	126.2140	0.000	1	126.2140	0.000	1	124.0382	2.162	6	121.5009	13.222	15	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:P-4:C-3:	C(C[6a]C[6a]2)(PC[6a]PtC)(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CCP)	C(C[6a]C[6a]2)(PC[6a]2Pt)(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]PtC)(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(PC[6a]2Pt)(CC[6a]P)	124.7540	0.000	1	124.7540	0.000	1	124.0382	2.162	6	121.5009	13.222	15	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:P[6]-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:N-3:	C(C[6a]C[6a]2)(P[6]O[6]2O)(CCN)	C[6a](C[6a]C[6a]H)2(CP[6]C)	C(CC[6a]P[6])(CH3)(NHS)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CCN)	C[6a](C[6a]C[6a]H)2(CP[6]C){1|C<3>,2|H<1>}	C(CC[6a]P[6])(CH3)(NHS)	121.9600	0.000	1	121.9600	0.000	1	121.9600	0.000	1	121.5009	13.222	15	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:Si-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:C-3:	C(C[6a]C[6a]2)(SiC[5]ClN)(CSiC)	C[6a](C[6a]C[6a]H)2(CSiC)	C(CC[6a]Si)(SiC3)(COO)	C(C[6a]C[6a]2)(SiC[5]ClN)(CSiC)	C[6a](C[6a]C[6a]H)2(CSiC){1|C<3>,2|H<1>}	C(CC[6a]Si)(SiC3)(COO)	119.8630	0.000	1	119.8630	0.000	1	119.8630	0.000	1	121.5009	13.222	15	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:4:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(BC[6a]2C)(CCC)	C[6a](C[6a]C[6a]F)2(CBC)	C(CC[6a]B)(CCHH)2	C(C[6a]C[6a]2)(BC[6a]2C)(CCC)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	C(CC[6a]B)(CCHH)2	113.0980	0.000	1	113.0980	0.000	1	117.2173	8.264	4	118.8235	12.112	6	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:4:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(BC[6a]2F)(CCC)	C[6a](C[6a]C[6a]F)2(CBC)	C(CC[6a]B)(CCHH)2	C(C[6a]C[6a]2)(BC[6a]2F)(CCC)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	C(CC[6a]B)(CCHH)2	118.6710	0.000	1	118.6710	0.000	1	117.2173	8.264	4	118.8235	12.112	6	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:4:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(BC[6a]2H)(CCC)	C[6a](C[6a]C[6a]F)2(CBC)	C(CC[6a]B)(CCHH)2	C(C[6a]C[6a]2)(BC[6a]2H)(CCC)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	C(CC[6a]B)(CCHH)2	118.5500	1.469	2	118.5500	2.159	2	117.2173	8.264	4	118.8235	12.112	6	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:4:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCHH)(CCC)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CHHO)(CF3)	C(C[6a]C[6a]2)(CCHH)(CCC)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CHHO)(CF3)	120.4860	0.000	1	120.4860	0.000	1	120.4860	0.000	1	118.8235	12.112	6	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	3:4:4:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:C-4:	C(C[6a]C[6a]2)(CHHN)(CSiC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC)	C(CC[6a]C)(SiC3)(CH3)	C(C[6a]C[6a]2)(CHHN)(CSiC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(SiC3)(CH3)	123.5860	0.000	1	123.5860	0.000	1	123.5860	0.000	1	118.8235	12.112	6	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(BC[6a]2C)(CCH)	C[6a](C[6a]C[6a]F)2(CBC)	C(CC[5]HH)(CC[6a]B)(H)	C(C[6a]C[6a]2)(BC[6a]2C)(CCH)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	C(CC[5]HH)(CC[6a]B)(H)	114.3585	0.894	2	114.3585	0.800	2	114.3585	0.800	2	123.6954	17.984	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)(BC[6a]2H)(CC[3]H)	C[6a](C[6a]C[6a]F)2(CBC)	C(C[3]C[3]2H)(CC[6a]B)(H)	C(C[6a]C[6a]2)(BC[6a]2H)(CC[3]H)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	C(C[3]C[3]2H)(CC[6a]B)(H)	119.2120	0.000	1	119.2120	0.000	1	119.2120	0.000	1	123.6954	17.984	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[5a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[5a]HH)(CC[6a]C)(H)	120.0040	0.000	1	120.0040	0.000	1	121.2256	0.351	7	123.6954	17.984	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CHHO)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|Br<1>,1|C<3>,1|H<1>}	C(CC[6]HH)(CC[6a]C)(H)	121.1980	0.000	1	121.3710	0.101	4	121.2256	0.351	7	123.6954	17.984	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CHHO)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6]HH)(CC[6a]C)(H)	121.4287	0.362	3	121.3710	0.101	4	121.2256	0.351	7	123.6954	17.984	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CHHO)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CN[6]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CN[6]HH)(CC[6a]C)(H)	121.5455	0.161	2	121.5455	0.026	2	121.2256	0.351	7	123.6954	17.984	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(CHP)	C[6a](C[6a]C[6a]H)2(CCC)	C(PC[6a]2C)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CH3)(CHP)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(PC[6a]2C)(CC[6a]C)(H)	123.8820	0.000	1	123.8820	0.000	1	123.8820	0.000	1	123.6954	17.984	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	B-4:C-3:H-1:	C(C[6a]C[6a]2)(PC[6a]2C)(CBH)	C[6a](C[6a]C[6a]H)2(CCP)	C(BC[6a]3)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]2C)(CBH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(BC[6a]3)(CC[6a]P)(H)	126.7220	0.000	1	126.7220	0.000	1	127.2945	1.790	10	123.6954	17.984	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	B-4:C-3:H-1:	C(C[6a]C[6a]2)(PC[6a]2H)(CBH)	C[6a](C[6a]C[6a]H)2(CCP)	C(BC[6a]3)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]2H)(CBH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(BC[6a]3)(CC[6a]P)(H)	127.4730	0.000	1	127.4730	0.000	1	127.2945	1.790	10	123.6954	17.984	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	B-4:C-3:H-1:	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCP)	C(BC[6a]3)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCP){1|C<3>,2|H<1>}	C(BC[6a]3)(CC[6a]P)(H)	125.3850	0.000	1	125.3850	0.000	1	127.2945	1.790	10	123.6954	17.984	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	B-4:C-3:H-1:	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	C[6a](C[6a]C[6a]H)2(CCP)	C(BC[6a]2C)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(BC[6a]2C)(CC[6a]P)(H)	127.5520	0.000	1	127.5520	0.000	1	127.2945	1.790	10	123.6954	17.984	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	B-4:C-3:H-1:	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	C[6a](C[6a]C[6a]H)2(CCP)	C(BC[6a]3)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(BC[6a]3)(CC[6a]P)(H)	126.7775	0.786	4	126.7775	0.618	4	127.2945	1.790	10	123.6954	17.984	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	B-4:C-3:H-1:	C(C[6a]C[6a]2)(PC[6a]HH)(CBH)	C[6a](C[6a]C[6a]H)2(CCP)	C(BC[6a]3)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]HH)(CBH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(BC[6a]3)(CC[6a]P)(H)	129.9240	0.000	1	129.9240	0.000	1	127.2945	1.790	10	123.6954	17.984	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	B-4:C-3:H-1:	C(C[6a]C[6a]2)(PCl2C)(CBH)	C[6a](C[6a]C[6a]H)2(CCP)	C(BC[6a]3)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PCl2C)(CBH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(BC[6a]3)(CC[6a]P)(H)	128.7790	0.000	1	128.7790	0.000	1	127.2945	1.790	10	123.6954	17.984	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:I-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C[6a](C[6a]C[6a]H)2(CCP)	C(CN[5a]HH)(CC[6a]P)(I)	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(CN[5a]HH)(CC[6a]P)(I)	121.8960	0.000	1	121.8960	0.000	1	122.1795	0.161	2	123.6954	17.984	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:I-1:	C(C[6a]C[6a]2)(PO3)(CCI)	C[6a](C[6a]C[6a]H)2(CCP)	C(CC[5]HO)(CC[6a]P)(I)	C(C[6a]C[6a]2)(PO3)(CCI)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(CC[5]HO)(CC[6a]P)(I)	122.4630	0.000	1	122.4630	0.000	1	122.1795	0.161	2	123.6954	17.984	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(PC[6]2S)(CHP)	C[6a](C[6a]C[6a]H)2(CCP)	C(PC[6a]2S)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6]2S)(CHP)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(PC[6a]2S)(CC[6a]P)(H)	124.6380	0.000	1	124.6380	0.000	1	123.4375	2.882	2	123.6954	17.984	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	P-4:C-3:H-1:	C(C[6a]C[6a]2)(PC[6a]2Pt)(CHP)	C[6a](C[6a]C[6a]H)2(CCP)	C(PC[6a]2Pt)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6a]2Pt)(CHP)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(PC[6a]2Pt)(CC[6a]P)(H)	122.2370	0.000	1	122.2370	0.000	1	123.4375	2.882	2	123.6954	17.984	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CHS)	C[6a](C[6a]C[6a]H)2(CCS)	C(SC[6a]OO)(CC[6a]S)(H)	C(C[6a]C[6a]2)(SC[6a]OO)(CHS)	C[6a](C[6a]C[6a]H)2(CCS){1|C<3>,2|H<1>}	C(SC[6a]OO)(CC[6a]S)(H)	129.7090	1.413	2	129.7090	1.996	2	129.7090	1.996	2	123.6954	17.984	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:Si-4:C-3:	C[6a]-3:C[6a]-3:C-3:	B-4:C-3:H-1:	C(C[6a]C[6a]2)(SiC3)(CBH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CSiC)	C(BC[6a]2N[6])(CC[6a]Si)(H)	C(C[6a]C[6a]2)(SiC3)(CBH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(CSiC){1|N<3>,2|C<3>,2|H<1>}	C(BC[6a]2N[6])(CC[6a]Si)(H)	119.4850	0.000	1	119.4850	0.000	1	119.4850	0.000	1	123.6954	17.984	28	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	3:4:3:	3:3:3:	4:3:4:	C[6a]-3:Si-4:C-3:	C[6a]-3:C[6a]-3:C-3:	B-4:C-3:C-4:	C(C[6a]C[6a]2)(SiC3)(CBC)	C[6a](C[6a]C[6a]H)2(CSiC)	C(BC[6a]2C)(CC[6a]Si)(CCHH)	C(C[6a]C[6a]2)(SiC3)(CBC)	C[6a](C[6a]C[6a]H)2(CSiC){1|C<3>,2|H<1>}	C(BC[6a]2C)(CC[6a]Si)(CCHH)	116.9060	0.000	1	116.9060	0.000	1	116.9060	0.000	1	116.9060	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:1:1:	C[5,5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5,5]C)	C(CC[5,5]C[6a])(H)2	C(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5,5]C){1|C<3>,2|H<1>}	C(CC[5,5]C[6a])(H)2	120.8430	0.000	1	120.8430	0.000	1	120.8430	0.000	1	121.4248	2.704	20	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:1:1:	C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Cl-1:H-1:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CClH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(Cl)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CClH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(Cl)(H)	123.7670	0.000	1	123.7670	0.000	1	123.7670	0.000	1	121.4248	2.704	20	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:1:1:	C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(H)2	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(H)2	121.3982	0.732	5	121.3982	0.536	5	121.4963	2.441	16	121.4248	2.704	20	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:1:1:	C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(H)2	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(H)2	120.2798	2.040	4	120.2798	4.162	4	121.4963	2.441	16	121.4248	2.704	20	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:1:1:	C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(H)2	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(H)2	119.5870	0.000	1	119.5870	0.000	1	121.4963	2.441	16	121.4248	2.704	20	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:1:1:	C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(H)2	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(H)2	122.8230	1.021	2	122.8230	1.043	2	121.4963	2.441	16	121.4248	2.704	20	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:1:1:	C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]C)	C(CC[6a]C[5])(H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]C){1|H<1>,2|C<3>}	C(CC[6a]C[5])(H)2	121.3350	0.000	1	121.3350	0.000	1	121.4963	2.441	16	121.4248	2.704	20	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:1:1:	C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(H)2	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(H)2	123.0877	0.309	3	123.0877	0.095	3	121.4963	2.441	16	121.4248	2.704	20	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:1:1:	C[6]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(CC[6a]C[6])(H)2	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C(CC[6a]C[6])(H)2	118.4510	0.000	1	118.4510	0.000	1	119.9725	4.630	2	121.4248	2.704	20	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:1:1:	C[6]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(CC[6a]C[6])(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C(CC[6a]C[6])(H)2	121.4940	0.000	1	121.4940	0.000	1	119.9725	4.630	2	121.4248	2.704	20	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:2:1:	Si[4]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-2:H-1:	C(Si[4]Si[4]C[4]Si)(C[6a]C[6a]2)(CSiH)	C[6a](C[6a]C[6a]H)2(CSi[4]C)	C(CC[6a]Si[4])(SiSi)(H)	C(Si[4]Si[4]C[4]Si)(C[6a]C[6a]2)(CSiH)	C[6a](C[6a]C[6a]H)2(CSi[4]C){1|C<3>,2|H<1>}	C(CC[6a]Si[4])(SiSi)(H)	118.5580	0.000	1	118.5580	0.000	1	118.5580	0.000	1	118.5580	0.000	1	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:2:2:	C[3]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[3]C[3,5]C[3]C)(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CC[3]C)	C(CC[6a]C[3])(CN)2	C(C[3]C[3,5]C[3]C)(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CC[3]C){1|C<3>,2|H<1>}	C(CC[6a]C[3])(CN)2	121.3930	0.720	2	121.3930	0.518	2	121.9963	1.351	3	121.9963	1.351	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:2:2:	C[3]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(C[3]C[3]N[3]C)(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CC[3]C)	C(CC[6a]C[3])(CN)2	C(C[3]C[3]N[3]C)(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CC[3]C){1|C<3>,2|H<1>}	C(CC[6a]C[3])(CN)2	123.2030	0.000	1	123.2030	0.000	1	121.9963	1.351	3	121.9963	1.351	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:3:1:	B[5,5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:H-1:	C(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(CB[5,5]C)	C(CB[5,5]C[6a])(NCC)(H)	C(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(CB[5,5]C){1|C<3>,2|H<1>}	C(CB[5,5]C[6a])(NCC)(H)	122.7310	0.000	1	122.7310	0.000	1	122.7310	0.000	1	119.8384	6.215	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:3:1:	C-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(CB[4x3,4,5x5,21x6]CoH)(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(COO)(H)	C(CB[4x3,4,5x5,21x6]CoH)(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(COO)(H)	118.1750	0.000	1	118.1750	0.000	1	117.5420	0.801	2	119.8384	6.215	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:3:1:	C-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CCC)	C(CC[6a]C)(CC[6]H)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CCC){1|C<3>,2|H<1>}	C(CC[6a]C)(CC[6]H)(H)	116.9090	0.000	1	116.9090	0.000	1	117.5420	0.801	2	119.8384	6.215	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(CHO)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CHO)(H)	120.5997	0.729	3	120.5997	0.531	3	120.5997	0.531	3	119.8384	6.215	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	118.4290	0.000	1	118.4290	0.000	1	118.3250	0.184	4	119.8384	6.215	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[5])(H)	118.2903	0.519	3	118.2903	0.269	3	118.3250	0.184	4	119.8384	6.215	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6,6a]C[6]O[6])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C(C[6a]C[6a]2)(CC[6a]C[6])(H)	C(C[6]C[6,6a]C[6]O[6])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[6])(H)	125.3080	0.000	1	125.3080	0.000	1	125.3080	0.000	1	119.8384	6.215	11	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:3:3:	B-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC)	C(C[6a]C[6a]2)(CC[6a]B)(CCC)	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]B)(CCC)	117.5160	1.413	2	117.5160	1.996	2	117.5587	2.001	7	118.3623	3.016	10	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:3:3:	B-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	118.2000	0.716	2	118.2000	0.512	2	117.5587	2.001	7	118.3623	3.016	10	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:3:3:	B-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]F)2(CBC)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	116.0675	1.018	2	116.0675	1.035	2	117.5587	2.001	7	118.3623	3.016	10	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:3:3:	B-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(BC[6a]N[6]N)(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(BC[6a]N[6]N)(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	119.3440	0.000	1	119.3440	0.000	1	117.5587	2.001	7	118.3623	3.016	10	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:3:3:	B[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(B[5]N[5,5]C[6a]N[5])(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CB[5]C)	C(C[6a]C[6a]2)(CC[6a]B[5])(CC[6a]C)	C(B[5]N[5,5]C[6a]N[5])(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CB[5]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]B[5])(CC[6a]C)	120.1310	0.004	2	120.1310	0.000	2	120.1310	0.000	2	118.3623	3.016	10	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6a]-3:C[5]-3:	C(C[5,6]C[5,6]B[6]C[5])(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[5,6]C)	C(CC[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C(C[5,6]C[5,6]B[6]C[5])(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[5,6]C){1|C<3>,2|H<1>}	C(CC[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	120.4500	0.000	1	120.4500	0.000	1	120.4500	0.000	1	118.3623	3.016	10	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:3:4:	C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-4:	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(CCHH)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[5])(CCHH)	120.2237	0.979	4	120.2237	0.958	4	120.2237	0.958	4	120.2237	0.958	4	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:4:1:	C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(CHHO)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CHHO)(H)	116.1845	0.653	2	116.1845	0.426	2	119.2632	12.910	4	118.9244	10.257	5	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:4:1:	C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(CH3)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CH3)(H)	121.9010	0.000	1	121.9010	0.000	1	119.2632	12.910	4	118.9244	10.257	5	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:4:1:	C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CH3)(H)	122.7830	0.000	1	122.7830	0.000	1	119.2632	12.910	4	118.9244	10.257	5	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:4:1:	Ge[4]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:H-1:	C(Ge[4]Si[4]C[4]Si)(C[6a]C[6a]2)(CSiH)	C[6a](C[6a]C[6a]H)2(CGe[4]C)	C(CC[6a]Ge[4])(SiSi3)(H)	C(Ge[4]Si[4]C[4]Si)(C[6a]C[6a]2)(CSiH)	C[6a](C[6a]C[6a]H)2(CGe[4]C){1|C<3>,2|H<1>}	C(CC[6a]Ge[4])(SiSi3)(H)	117.5690	0.000	1	117.5690	0.000	1	117.5690	0.000	1	118.9244	10.257	5	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:4:4:	B-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:C-4:	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CSiC)	C[6a](C[6a]C[6a]F)2(CBC)	C(CC[6a]B)(SiC3)(CH3)	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CSiC)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	C(CC[6a]B)(SiC3)(CH3)	117.7290	0.000	1	117.7290	0.000	1	118.0425	0.197	2	119.1667	3.890	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:4:4:	B-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:C-4:	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CSiC)	C[6a](C[6a]C[6a]F)2(CBC)	C(CC[6a]B)(SiC3)(CH3)	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CSiC)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	C(CC[6a]B)(SiC3)(CH3)	118.3560	0.000	1	118.3560	0.000	1	118.0425	0.197	2	119.1667	3.890	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	3:4:4:	C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C(CC[6a]C[5])(CH3)2	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C(CC[6a]C[5])(CH3)2	121.4150	0.000	1	121.4150	0.000	1	121.4150	0.000	1	119.1667	3.890	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	4:3:1:	P-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	B-4:C-3:H-1:	C(PC[3x3,4,3x5,14x6]C[6a]2)(C[6a]C[6a]2)(CBH)	C[6a](C[6a]C[6a]H)2(CCP)	C(BC[3x3,4,3x5,14x6]C[6a]2)(CC[6a]P)(H)	C(PC[3x3,4,3x5,14x6]C[6a]2)(C[6a]C[6a]2)(CBH)	C[6a](C[6a]C[6a]H)2(CCP){1|C<3>,2|H<1>}	C(BC[3x3,4,3x5,14x6]C[6a]2)(CC[6a]P)(H)	124.6140	0.148	2	124.6140	0.022	2	124.6140	0.022	2	122.9113	8.708	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	4:3:1:	Si-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	Si-4:C-3:H-1:	C(SiC[3x3,4,3x5,14x6]CC)(C[6a]C[6a]2)(CSiH)	C[6a](C[6a]C[6a]H)2(CSiC)	C(SiC[3x3,4,3x5,14x6]CC)(CC[6a]Si)(H)	C(SiC[3x3,4,3x5,14x6]CC)(C[6a]C[6a]2)(CSiH)	C[6a](C[6a]C[6a]H)2(CSiC){1|C<3>,2|H<1>}	C(SiC[3x3,4,3x5,14x6]CC)(CC[6a]Si)(H)	119.5060	0.000	1	119.5060	0.000	1	119.5060	0.000	1	122.9113	8.708	3	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	4:3:3:	3:3:3:	4:3:4:	B-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:Si-4:	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CC[6]Si)	C[6a](C[6a]C[6a]F)2(CBC)	C(C[6]C[6]2H)(CC[6a]B)(SiC3)	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CC[6]Si)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	C(C[6]C[6]2H)(CC[6a]B)(SiC3)	117.7515	0.398	2	117.7515	0.158	2	117.7515	0.158	2	117.7515	0.158	2	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	6:3:3:	3:3:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C-3:	C-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:H-1:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]2)(CC[6a]H)	C[6a](CB[5x3,5x5,20x6]C)(C[6a]C[6a]H)2	C(CB[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[6a]C[6a]2)(CC[6a]H)	C[6a](CB[5x3,5x5,20x6]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C(CB[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(H)	123.4190	0.000	1	123.4190	0.000	1	122.7018	0.587	4	122.7018	0.587	4	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	6:3:3:	3:3:3:	3:3:1:	B[5x3,5x5,20x6]-6:C[6a]-3:C-3:	C-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:H-1:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(CC[6a]H)	C[6a](CB[5x3,5x5,20x6]C)(C[6a]C[6a]H)2	C(CB[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(CC[6a]H)	C[6a](CB[5x3,5x5,20x6]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C(CB[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(H)	122.4627	0.733	3	122.4627	0.538	3	122.7018	0.587	4	122.7018	0.587	4	124.0568	17.053	13928	124.0568	17.053	13928
930	643	930	0:SP2_SP2_SP2	C	C[6a]	C	6:3:3:	3:3:3:	3:3:4:	C[5x3,5x5,20x6]-6:C[6a]-3:C-3:	C-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C-4:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(CC[6a]C)	C[6a](CC[5x3,5x5,20x6]C)(C[6a]C[6a]H)2	C(CC[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(CCHH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(CC[6a]C)	C[6a](CC[5x3,5x5,20x6]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C(CC[5x3,5x5,20x6]C[6a])(C[6a]C[6a]2)(CCHH)	120.5195	0.798	2	120.5195	0.637	2	120.5195	0.637	2	120.5195	0.637	2	124.0568	17.053	13928	124.0568	17.053	13928