930	610	956	0:SP2_SP2_SP3	C	B	N	3:4:3:	3:1:1:1:	3:4:4:	C[6a]-3:B-4:N-3:	C-3:F-1:F-1:F-1:	C-3:C-4:C-4:	C(C[6a]C[6a,6a]2)(BF3)(NCC)	B(CC[6a]N)(F)3	N(CC[6a]B)(CC3)(CH3)	C(C[6a]C[6a,6a]2)(BF3)(NCC)	B(CC[6a]N)(F)3	N(CC[6a]B)(CC3)(CH3)	132.8140	0.000	1	132.8140	0.000	1	132.8140	0.000	1	132.8140	0.000	1	123.5784	32.370	5	123.5784	32.370	5
930	610	956	0:SP2_SP2_SP3	C	B	N	4:3:3:	3:3:1:1:	4:4:3:	B-4:N-3:N-3:	C[6a]-3:C-3:Cl-1:Cl-1:	C-4:C-4:C-3:	C(BC[6a]Cl2)(NCC)2	B(C[6a]C[6a]2)(CNN)(Cl)2	N(CCCH)2(CBN)	C(BC[6a]Cl2)(NCC)2	B(C[6a]C[6a]2)(CNN)(Cl)2	N(CCCH)2(CBN)	121.2695	2.760	4	121.2695	7.620	4	121.2695	7.620	4	121.2695	7.620	4	123.5784	32.370	5	123.5784	32.370	5
930	610	983	0:SP2_SP1_SP3	C	B	C	4:2:1:	3:3:3:3:	3:3:	B-4:C-2:H-1:	N[5]-3:N[5]-3:N[5]-3:C-3:	C-3:C-3:	C(BN[5]3)(CC)(H)	B(N[5]C[5]N[5])3(CCH)	C(CC[6a]2)(CBH)	C(BN[5]3)(CC)(H)	B(N[5]C[5]N[5])3(CCH)	C(CC[6a]2)(CBH)	129.5420	0.000	1	129.5420	0.000	1	129.5420	0.000	1	129.5420	0.000	1	124.1049	24.381	8	124.1049	24.381	8
930	610	983	0:SP2_SP1_SP3	C	B	C	4:2:4:	3:3:3:3:	3:3:	B-4:C-2:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:	C(BC[6a]3)(CN[6])(CH3)	B(C[6a]C[6a]2)3(CCC)	C(N[6]C[6]2)(CBC)	C(BC[6a]3)(CN[6])(CH3)	B(C[6a]C[6a]2)3(CCC)	C(N[6]C[6]2)(CBC)	127.4680	0.000	1	127.4680	0.000	1	127.4680	0.000	1	127.4680	0.000	1	124.1049	24.381	8	124.1049	24.381	8
930	610	983	0:SP2_SP1_SP3	C	B	C	4:2:4:	3:3:4:3:	3:3:	B-4:C-2:C-4:	C[6a]-3:C[6a]-3:C-4:C-3:	N[6]-3:C-3:	C(BC[6a]2C)(CN[6])(CH3)	B(C[6a]C[6a]2)2(CCHH)(CCC)	C(N[6]C[6]2)(CBC)	C(BC[6a]2C)(CN[6])(CH3)	B(C[6a]C[6a]2)2(CCHH)(CCC)	C(N[6]C[6]2)(CBC)	119.1550	0.000	1	119.1550	0.000	1	119.1550	0.000	1	119.1550	0.000	1	124.1049	24.381	8	124.1049	24.381	8
930	610	983	0:SP2_SP1_SP3	C	B	C	4:4:2:	3:3:3:3:	3:1:	B-4:P-4:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:O-1:	C(BC[6a]3)(PC[6a]3)(CO)	B(C[6a]C[6a]2)3(CCP)	C(CBP)(O)	C(BC[6a]3)(PC[6a]3)(CO)	B(C[6a]C[6a]2)3(CCP)	C(CBP)(O)	115.1200	0.000	1	115.1200	0.000	1	115.1200	0.000	1	115.1200	0.000	1	124.1049	24.381	8	124.1049	24.381	8
930	610	983	0:SP2_SP1_SP3	C	B	C	4:4:2:	3:3:3:3:	3:2:	B-4:C-4:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(BC[6a]3)(CCHH)(CC)	B(C[6a]C[6a]2)3(CCC)	C(CBC)(CC)	C(BC[6a]3)(CCHH)(CC)	B(C[6a]C[6a]2)3(CCC)	C(CBC)(CC)	127.3070	1.530	2	127.3070	2.341	2	125.8030	7.957	3	125.8030	7.957	3	124.1049	24.381	8	124.1049	24.381	8
930	610	983	0:SP2_SP1_SP3	C	B	C	4:4:2:	3:3:3:3:	3:2:	B-4:C-4:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(BC[6a]3)(CH3)(CC)	B(C[6a]C[6a]2)3(CCC)	C(CBC)(CC)	C(BC[6a]3)(CH3)(CC)	B(C[6a]C[6a]2)3(CCC)	C(CBC)(CC)	122.7950	0.000	1	122.7950	0.000	1	125.8030	7.957	3	125.8030	7.957	3	124.1049	24.381	8	124.1049	24.381	8
930	610	983	0:SP2_SP1_SP3	C	B	C	4:4:2:	3:3:3:3:	3:3:	B-4:Si-4:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-3:N-3:	C(BC[6a]3)(SiC3)(CN)	B(C[6a]C[6a]2)3(CSiC)	C(CSiB)(NCC)	C(BC[6a]3)(SiC3)(CN)	B(C[6a]C[6a]2)3(CSiC)	C(CSiB)(NCC)	124.1450	0.000	1	124.1450	0.000	1	124.1450	0.000	1	124.1450	0.000	1	124.1049	24.381	8	124.1049	24.381	8
930	610	992	0:SP2_SP3_SP3	C	B	P	4:4:2:	3:3:3:3:	3:3:3:3:	B-4:P-4:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(BC[6a]3)(PC[6a]3)(CO)	B(C[6a]C[6a]2)3(CCP)	P(C[6a]C[6a]2)3(CBC)	C(BC[6a]3)(PC[6a]3)(CO)	B(C[6a]C[6a]2)3(CCP)	P(C[6a]C[6a]2)3(CBC)	133.0160	0.000	1	133.0160	0.000	1	133.0160	0.000	1	133.0160	0.000	1	113.0470	300.007	3	113.0470	300.007	3
930	610	992	0:SP2_SP3_SP3	C	B	P	4:4:3:	3:3:3:1:	3:3:1:1:	B-4:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:F-1:	C[6a]-3:C-3:H-1:H-1:	C(BC[6a]2F)(PC[6a]HH)(CCH)	B(C[6a]C[6a]2)2(CCP)(F)	P(C[6a]C[6a]2)(CBC)(H)2	C(BC[6a]2F)(PC[6a]HH)(CCH)	B(C[6a]C[6a]2)2(CCP)(F)	P(C[6a]C[6a]2)(CBC)(H)2	104.0300	0.000	1	104.0300	0.000	1	104.0300	0.000	1	103.0625	1.872	2	113.0470	300.007	3	113.0470	300.007	3
930	610	992	0:SP2_SP3_SP3	C	B	P	4:4:3:	3:3:3:1:	3:3:1:1:	B-4:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:H-1:	C(BC[6a]2H)(PC[6a]HH)(CCH)	B(C[6a]C[6a]2)2(CCP)(H)	P(C[6a]C[6a]2)(CBC)(H)2	C(BC[6a]2H)(PC[6a]HH)(CCH)	B(C[6a]C[6a]2)2(CCP)(H)	P(C[6a]C[6a]2)(CBC)(H)2	102.0950	0.000	1	102.0950	0.000	1	102.0950	0.000	1	103.0625	1.872	2	113.0470	300.007	3	113.0470	300.007	3
930	618	818	0:SP2_SP2_SP2	C	B[6,6]	C[5]	3:4:3:	4:4:3:	3:3:3:	B[6,6]-3:C[5]-4:C[5]-3:	C[6,6]-4:C[6,6]-4:C-3:	N[5]-3:N[5]-3:C-3:	C(B[6,6]C[6,6]2)(C[5]N[5]2H)(C[5]N[5]2)	B[6,6](C[6,6]C[6]2H)2(CC[5]2)	C[5](N[5]C[5,6a]C)2(CB[6,6]C[5])	C(B[6,6]C[6,6]2)(C[5]N[5]2H)(C[5]N[5]2)	B[6,6](C[6,6]C[6]2H)2(CC[5]2){2|C<4>,8|H<1>}	C[5](N[5]C[5,6a]C)2(CB[6,6]C[5]){2|C<3>}	120.8430	0.000	1	120.8430	0.000	1	120.8430	0.000	1	120.8430	0.000	1	120.8430	0.000	1	120.8430	0.000	1
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	2:2:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	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)(O)	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CC[6a]O){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.4460	0.000	1	120.4460	0.000	1	120.4460	0.000	1	120.4460	0.000	1	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	2:3:3:	2:3:3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2:C[6a]-3:C-3:	N[6a]-2:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])2(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]N[6a])2(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,2|C<3>}	119.8960	0.000	1	119.8960	0.000	1	119.8960	0.000	1	119.8960	0.000	1	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2: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)(O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(CC[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.3950	0.000	1	119.3950	0.000	1	121.0416	3.414	14	120.7788	3.180	17	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2: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)(O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	123.7180	0.000	1	123.7180	0.000	1	121.0416	3.414	14	120.7788	3.180	17	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2: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)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]O){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.6320	0.000	2	119.1390	0.771	3	121.0416	3.414	14	120.7788	3.180	17	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2: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)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.1530	0.000	1	119.1390	0.771	3	121.0416	3.414	14	120.7788	3.180	17	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2: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)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.7960	0.000	1	121.7810	0.122	4	121.0416	3.414	14	120.7788	3.180	17	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2: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)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|N<3>}	121.8395	0.583	2	121.7810	0.122	4	121.0416	3.414	14	120.7788	3.180	17	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2: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)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]O){3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.6490	0.000	1	121.7810	0.122	4	121.0416	3.414	14	120.7788	3.180	17	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2: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)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.9090	0.000	1	120.9090	0.000	1	121.0416	3.414	14	120.7788	3.180	17	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2: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)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.3390	0.000	1	118.3390	0.000	1	121.0416	3.414	14	120.7788	3.180	17	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2: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)(O)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]H)(CC[6a]O){3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	122.5603	1.630	3	122.5603	2.658	3	121.0416	3.414	14	120.7788	3.180	17	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	N[6a]-2:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[6a]O){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.1650	0.000	1	120.1650	0.000	1	120.1650	0.000	1	120.7788	3.180	17	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	S[6a]-2:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]S[6a])(C[6a]C[6a]2)(O)	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]S[6a])(C[6a]C[6a]2)(O)	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(CC[6a]O){5|B<6>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.7680	0.000	1	118.7680	0.000	1	119.2460	0.457	2	120.7788	3.180	17	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	S[6a]-2:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]S[6a])(C[6a]C[6a]2)(O)	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]S[6a])(C[6a]C[6a]2)(O)	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]O)(CC[6a]O){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.7240	0.000	1	119.7240	0.000	1	119.2460	0.457	2	120.7788	3.180	17	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])2(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	C(C[6a]C[6a]N[6a])2(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|H<1>,2|C<3>}	118.1935	0.494	2	118.1935	0.244	2	118.1935	0.244	2	118.1935	0.244	2	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	119.9290	0.000	1	119.9290	0.000	1	120.1670	3.480	5	120.3247	2.728	23	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	117.5830	0.000	1	117.5830	0.000	1	120.1670	3.480	5	120.3247	2.728	23	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.9375	0.631	2	121.9375	0.399	2	120.1670	3.480	5	120.3247	2.728	23	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CC[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.4480	0.000	1	119.4480	0.000	1	120.1670	3.480	5	120.3247	2.728	23	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	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)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	116.7470	0.000	1	116.7470	0.000	1	119.2157	4.651	3	120.3247	2.728	23	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	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)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.1660	0.000	1	120.1660	0.000	1	119.2157	4.651	3	120.3247	2.728	23	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	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)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(CC[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.7340	0.000	1	120.7340	0.000	1	119.2157	4.651	3	120.3247	2.728	23	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	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)(O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.7285	0.887	2	119.7285	0.788	2	120.5991	2.275	15	120.3247	2.728	23	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	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)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.7170	0.000	1	120.9530	1.979	12	120.5991	2.275	15	120.3247	2.728	23	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	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)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.9080	0.000	1	120.9530	1.979	12	120.5991	2.275	15	120.3247	2.728	23	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	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)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|N<2>,2|H<1>}	120.0290	0.000	1	120.9530	1.979	12	120.5991	2.275	15	120.3247	2.728	23	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	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)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.2380	0.000	1	120.9530	1.979	12	120.5991	2.275	15	120.3247	2.728	23	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	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)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.6930	0.839	8	120.9530	1.979	12	120.5991	2.275	15	120.3247	2.728	23	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	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)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]C)(N[6a]C[6a])(CC[6a]O){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.0940	0.000	1	118.0940	0.000	1	120.5991	2.275	15	120.3247	2.728	23	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	S[6a]-2:S[6a]-2:C-3:	C(C[6a]C[6a]2)(C[6a]S[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[6a]Cl)	C[6a](S[6a]S[6a])2(CC[6a]Cl)	C(C[6a]C[6a]2)(C[6a]S[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[6a]Cl){1|C<3>,2|H<1>}	C[6a](S[6a]S[6a])2(CC[6a]Cl){1|C<3>}	127.2900	0.595	2	127.2900	0.354	2	127.2900	0.354	2	124.4190	24.905	3	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-2:N[6a]-2:C-3:	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	C[6a](N[6a]C[6a])2(CC[6a]O)	C(C[6a]C[6a]2)(C[6a]N[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(CC[6a]O){1|C<3>,2|O<2>}	118.6770	0.000	1	118.6770	0.000	1	118.6770	0.000	1	124.4190	24.905	3	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|N<3>,1|O<1>,1|S<2>}	119.1350	0.000	1	119.1350	0.000	1	119.1350	0.000	1	121.7553	3.186	4	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(CC[6a]O){1|C<3>,2|H<1>}	122.1240	0.000	1	122.1240	0.000	1	122.6287	0.201	3	121.7553	3.186	4	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){1|C<3>,2|H<1>}	122.7790	0.000	1	122.7790	0.000	1	122.6287	0.201	3	121.7553	3.186	4	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]O){3|C<3>}	122.9830	0.000	1	122.9830	0.000	1	122.6287	0.201	3	121.7553	3.186	4	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]H)	C(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]H){1|C<3>,2|H<1>}	134.1590	0.038	2	134.1590	0.001	2	134.3596	6.924	5	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]H)	C[6a](C[6a]N[6a]O)2(CC[6a]H)	C(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]N[6a]O)2(CC[6a]H){1|C<3>,2|C<4>}	138.7720	0.000	1	138.7720	0.000	1	134.3596	6.924	5	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]H)	C(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(CC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]H){1|C<3>,2|H<1>}	132.3540	0.318	2	132.3540	0.101	2	134.3596	6.924	5	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]H){1|C<3>,2|H<1>}	132.6130	2.647	2	132.6130	7.009	2	132.5380	3.521	3	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]H)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(CC[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]H){1|C<3>,2|O<2>}	132.3880	0.000	1	132.3880	0.000	1	132.5380	3.521	3	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	B[6a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]B[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]B[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.2595	0.309	2	119.2595	0.095	2	119.2595	0.095	2	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	121.5600	0.000	1	121.5600	0.000	1	121.5600	0.000	1	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]2)2(CC[6a]O){2|N<3>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.3600	0.000	1	119.3600	0.000	1	118.9090	0.407	2	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(CC[6a]O){2|C<4>,2|N<3>,3|N<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.4580	0.000	1	118.4580	0.000	1	118.9090	0.407	2	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]O){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.0775	0.443	2	120.0775	0.197	2	119.9727	1.445	13	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.7133	1.494	3	120.4465	1.773	4	119.9727	1.445	13	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.6460	0.000	1	120.4465	1.773	4	119.9727	1.445	13	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	117.8220	0.000	1	117.8220	0.000	1	119.9727	1.445	13	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.9170	0.000	1	120.2610	0.946	3	119.9727	1.445	13	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.5070	0.000	1	120.2610	0.946	3	119.9727	1.445	13	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.3590	0.000	1	120.2610	0.946	3	119.9727	1.445	13	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]O){4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.3060	0.000	1	119.3060	0.000	1	119.9727	1.445	13	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.8965	1.918	2	119.8965	3.680	2	119.9727	1.445	13	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6,6,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])2(CC[6a]O){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.5797	0.784	3	118.5797	0.615	3	118.5797	0.615	3	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a,6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.4075	0.334	2	118.4075	0.112	2	118.3343	0.072	3	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a,6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a]N[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]N[6a]H)2(CC[6a]O){1|C<3>}	118.1880	0.000	1	118.1880	0.000	1	118.3343	0.072	3	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a])(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]C[6a])(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	120.7140	0.000	1	120.7140	0.000	1	120.7140	0.000	1	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6,6a]O[6])(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	122.0660	0.000	1	122.0660	0.000	1	119.6691	3.135	16	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]O[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a,6a]C[6,6a])(C[6a]O[6a]O)(CC[6a]O){4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	117.0850	0.000	1	117.0850	0.000	1	119.6691	3.135	16	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]H)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.1343	0.366	3	119.1343	0.134	3	119.6691	3.135	16	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(CC[6a]O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	117.3770	0.000	1	117.3770	0.000	1	119.6691	3.135	16	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.3310	0.222	2	119.3310	0.049	2	119.6691	3.135	16	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.0740	0.000	1	119.0740	0.000	1	119.6691	3.135	16	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.9265	1.097	2	119.5190	3.882	4	119.6691	3.135	16	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.1115	1.587	2	119.5190	3.882	4	119.6691	3.135	16	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a,6a]O)(CC[6a]O){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	123.2770	0.000	1	123.2770	0.000	1	119.6691	3.135	16	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]2)(CC[6a]O){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.0430	0.000	1	121.0430	0.000	1	119.6691	3.135	16	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6,6a]N[6,6a]N[6])(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.6430	0.000	1	120.6430	0.000	1	119.6691	3.135	16	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[5,6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.4380	0.000	1	119.4380	0.000	1	119.4380	0.000	1	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(CC[6a]O){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.0860	0.000	1	120.0860	0.000	1	119.5435	0.589	2	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]O[6])(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6,6a]O[6])(CC[6a]O){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.0010	0.000	1	119.0010	0.000	1	119.5435	0.589	2	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C(C[6a]C[6a,6a]2)2(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]O)	C(C[6a]C[6a,6a]2)2(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]O){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]O){2|H<1>,5|C<3>}	122.9045	1.163	2	122.9045	1.353	2	122.9045	1.353	2	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]O){2|H<1>,5|C<3>}	117.6300	0.000	1	117.6300	0.000	1	117.9497	0.683	3	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]O){2|H<1>,5|C<3>}	118.1095	1.101	2	118.1095	1.212	2	117.9497	0.683	3	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])2(O)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])2(O)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,4|C<3>}	120.3500	0.000	1	120.3500	0.000	1	119.1362	8.821	8	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])2(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])2(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]O){2|H<1>,3|C<3>}	118.2250	0.000	1	118.2250	0.000	1	119.1362	8.821	8	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])2(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])2(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	117.8430	0.000	1	117.8430	0.000	1	119.1362	8.821	8	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])2(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])2(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,4|C<3>}	116.8055	0.378	2	117.6867	1.093	4	119.1362	8.821	8	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])2(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])2(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){2|H<1>,3|C<3>}	118.5680	0.168	2	117.6867	1.093	4	119.1362	8.821	8	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])2(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])2(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,3|C<3>}	125.9250	0.000	1	125.9250	0.000	1	119.1362	8.821	8	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]C)(CC[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.5820	0.000	1	118.5820	0.000	1	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	117.6320	0.000	1	117.6320	0.000	1	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]F)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]F)2(CC[6a]O){1|C<3>,2|F<1>}	118.3980	0.000	1	118.3980	0.000	1	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]O){1|C<3>,2|H<1>}	117.4730	0.000	1	117.4730	0.000	1	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.9022	0.597	4	119.1756	0.589	10	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.3578	0.864	6	119.1756	0.589	10	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CC[6a]O){5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.6980	0.000	1	118.6980	0.000	1	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(CC[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.5470	0.000	1	119.5470	0.000	1	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(CC[6a]O){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	121.1680	0.000	1	121.1680	0.000	1	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(CC[6a]O){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	119.1790	0.000	1	119.1790	0.000	1	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.6400	0.000	2	118.6400	0.000	2	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.6520	0.000	1	119.2455	0.704	2	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.8390	0.000	1	119.2455	0.704	2	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.4487	0.258	3	119.0122	0.723	9	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.0253	1.183	3	119.0122	0.723	9	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|C<4>}	120.2790	0.000	1	119.0122	0.723	9	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.2045	0.472	2	119.0122	0.723	9	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	120.9670	0.000	1	120.9670	0.000	1	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	118.3130	0.000	1	118.9218	0.345	4	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	119.1247	0.520	3	118.9218	0.345	4	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.5636	0.702	5	119.3431	1.330	17	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.3455	0.088	2	119.3431	1.330	17	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.5030	0.000	1	119.3431	1.330	17	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.1830	0.000	1	119.3431	1.330	17	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.4200	0.000	1	119.3431	1.330	17	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.4130	0.000	1	119.3431	1.330	17	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|N<3>}	117.3430	0.669	2	119.3431	1.330	17	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.7795	1.242	4	119.3431	1.330	17	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	117.2870	0.000	1	119.0487	2.398	3	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(CC[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.9295	0.374	2	119.0487	2.398	3	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	120.3500	0.068	3	120.1620	0.144	4	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	119.5980	0.000	1	120.1620	0.144	4	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	118.2497	1.289	3	118.2497	1.662	3	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(CC[6a]O){1|C<3>,2|H<1>}	118.4393	1.041	3	118.9270	1.674	4	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(CC[6a]O){1|C<3>,2|H<1>}	120.3900	0.000	1	118.9270	1.674	4	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]O){1|C<3>,2|H<1>}	121.5850	1.097	2	121.5850	1.204	2	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	119.4875	2.064	2	119.4875	4.260	2	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.0778	2.105	4	119.7621	2.337	78	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.5180	0.000	1	119.7621	2.337	78	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.6590	0.000	1	119.7621	2.337	78	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|C<4>}	120.1635	1.133	2	119.7621	2.337	78	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.9327	1.255	48	119.7621	2.337	78	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){2|Br<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.9460	0.000	1	119.7621	2.337	78	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|F<1>,1|H<1>}	117.6310	0.000	1	119.7621	2.337	78	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	118.3150	0.000	1	119.7621	2.337	78	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.1561	1.947	19	119.7621	2.337	78	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.9580	0.000	1	120.1600	0.082	2	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.3620	0.000	1	120.1600	0.082	2	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]H)(CC[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.4930	0.000	1	120.4930	0.000	1	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a,6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a,6a]O)(CC[6a]O){5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.3220	0.000	1	120.3220	0.000	1	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	118.0115	1.331	2	118.0115	1.773	2	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.9590	0.000	1	119.9475	0.000	2	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.9360	0.000	1	119.9475	0.000	2	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6,6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6,6a]O)(CC[6a]O){4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	124.4730	0.000	1	124.4730	0.000	1	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	118.1600	0.000	1	118.2375	0.012	2	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(CC[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.3150	0.000	1	118.2375	0.012	2	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-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])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.0230	0.000	1	118.0230	0.000	1	119.5196	1.980	161	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[5a,6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]O){7|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	122.4920	0.000	1	122.4920	0.000	1	119.7243	2.841	7	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[5a,6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]O){7|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.2630	1.274	6	119.2630	1.622	6	119.7243	2.841	7	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C(C[6a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)2(CC[6a]O)	C(C[6a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)2(CC[6a]O){1|N<2>,2|N<3>,4|C<3>}	119.4690	0.000	1	119.4690	0.000	1	119.4690	0.000	1	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(CC[6a]O){5|C<3>}	119.1650	0.000	1	119.1650	0.000	1	119.1650	0.000	1	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5,6]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	122.9895	0.315	2	122.9895	0.099	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	121.7380	0.000	1	121.7380	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CC[6a]O){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.3290	0.000	1	119.3290	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	121.3150	0.000	1	121.3150	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.2910	0.000	1	121.4487	0.019	3	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.5275	0.035	2	121.4487	0.019	3	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)(CC[6a]O){4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.0485	2.296	2	119.0485	5.272	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(CC[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.1060	0.000	1	119.1060	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(CC[6a]O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]Cl)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	120.3880	0.000	1	120.3880	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,4|C<3>}	120.8230	0.000	1	120.8230	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	120.3390	0.000	1	120.3390	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	118.5220	0.000	1	118.9622	0.844	5	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	119.0140	1.638	2	118.9622	0.844	5	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	119.1305	0.663	2	118.9622	0.844	5	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]F)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]F)2(CC[6a]O){1|C<3>,2|F<1>}	118.8025	0.435	2	118.8025	0.189	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.8320	0.000	1	120.5815	1.289	8	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|F<1>,1|H<1>}	120.0780	0.000	1	120.5815	1.289	8	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.8045	0.668	2	120.5815	1.289	8	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.1410	0.000	1	120.5815	1.289	8	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.1220	0.955	2	120.5815	1.289	8	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]O){3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.7480	0.000	1	120.5815	1.289	8	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|I<1>,1|S<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.5990	0.000	1	121.5990	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]C)(CC[6a]O){1|C<3>,1|S<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	120.9490	0.000	1	120.9490	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]O){1|C<2>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.3230	0.000	1	120.5620	2.361	4	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]O){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.3530	0.000	1	120.5620	2.361	4	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]O){1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.8410	0.000	1	120.5620	2.361	4	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]O){5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.7310	0.000	1	120.5620	2.361	4	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CC[6a]O){3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	123.4510	0.000	1	123.4510	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	121.3370	0.000	1	120.1936	1.531	5	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	119.0120	0.000	1	120.1936	1.531	5	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	120.2063	1.308	3	120.1936	1.531	5	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	118.8440	0.000	1	118.8440	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.6440	0.000	1	118.6440	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	117.1460	0.000	1	117.1460	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	119.6700	0.000	1	119.6700	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	123.2205	0.155	4	121.8054	2.358	8	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.3902	0.371	4	121.8054	2.358	8	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.0820	0.000	1	121.0820	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(CC[6a]O){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.6560	0.000	1	118.6560	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.8103	1.044	3	119.8103	1.090	3	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]C)(CC[6a]O){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.3550	0.000	1	118.3550	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.6790	0.000	1	119.6790	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(CC[6a]O){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.2520	0.000	1	120.2520	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)(CC[6a]O){4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.0510	0.000	1	118.0510	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]O){1|C<4>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	117.0180	0.041	2	117.0180	0.002	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CC[6a]O){4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.2770	1.442	2	118.2770	2.081	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(CC[6a]O){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.8740	0.000	1	119.8740	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	119.1530	0.000	1	119.1530	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	121.4630	0.000	1	121.4630	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]O){1|H<1>,2|C<3>}	117.4750	0.000	1	117.4750	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	120.9070	0.479	2	120.9070	0.230	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.9240	0.000	1	119.9240	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(CC[6a]O){1|C<3>,2|H<1>}	117.5780	0.000	1	117.5780	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.7332	0.953	8	119.8103	0.849	9	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(CC[6a]O){1|I<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.4270	0.000	1	119.8103	0.849	9	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[6a]O){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.4013	0.851	6	119.7499	1.973	8	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[6a]O){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|N<2>,2|H<1>}	117.7955	0.083	2	119.7499	1.973	8	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]O[6a]O)(CC[6a]O){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.7870	0.000	1	118.7870	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CC[6a]O){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	118.6595	0.227	2	118.6595	0.052	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.1495	0.974	2	120.1495	0.948	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[6a]O){2|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[6a]O){2|C<3>}	118.8035	0.354	2	118.8035	0.126	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	117.8820	0.000	1	117.8820	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CC[6a]O){1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.5795	0.883	2	118.5588	0.302	4	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CC[6a]O){5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.5380	0.352	2	118.5588	0.302	4	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	119.1970	0.000	1	119.1970	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.4130	0.000	1	118.8530	0.387	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.2930	0.000	1	118.8530	0.387	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.6240	0.000	1	120.6240	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	117.7490	0.000	1	117.7490	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CC[6a]O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	119.2780	0.000	1	119.2780	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>}	124.1810	0.000	1	119.9321	12.706	10	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	119.4600	3.433	9	119.9321	12.706	10	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	119.9470	2.017	4	119.9470	4.068	4	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(CC[6a]O){1|C<3>,2|H<1>}	119.0310	0.000	1	119.0310	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]F)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]F)2(CC[6a]O){1|C<3>,2|F<1>}	118.5360	0.774	4	118.5360	0.599	4	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,2|H<1>}	117.6530	0.000	1	117.6530	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	120.4450	0.000	1	121.3206	2.262	9	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	123.7690	0.000	1	121.3206	2.262	9	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>}	118.8680	0.000	1	121.3206	2.262	9	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	121.1380	1.014	4	121.3206	2.262	9	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	122.1255	0.897	2	121.3206	2.262	9	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[6a]O){1|C<3>,2|H<1>}	119.4880	0.000	1	119.4880	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.7960	0.000	1	118.9180	1.145	54	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.9025	1.729	2	118.9180	1.145	54	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.5430	0.000	1	118.9180	1.145	54	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.9110	0.712	3	118.9180	1.145	54	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	118.2165	0.169	2	118.9180	1.145	54	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.7455	1.022	33	118.9180	1.145	54	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.9400	0.000	1	118.9180	1.145	54	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.8835	0.961	11	118.9180	1.145	54	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]O)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]O){1|C<3>,2|H<1>}	123.1200	0.000	1	119.6563	10.604	3	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]O)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]O)2(CC[6a]O){1|C<3>,2|H<1>}	117.9245	1.793	2	119.6563	10.604	3	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]O)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]O)2(CC[6a]O){1|C<3>,2|H<1>}	125.6335	2.940	4	124.9468	8.840	5	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]O)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)2(CC[6a]O){1|C<3>,2|H<1>}	122.2000	0.000	1	124.9468	8.840	5	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CC[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	117.2990	0.000	1	118.2395	1.769	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(CC[6a]O){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.1800	0.000	1	118.2395	1.769	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(CC[6a]O)	C[6a](C[6a]C[6a]C)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(CC[6a]O){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)2(CC[6a]O){1|C<3>,2|H<1>}	121.3594	0.879	5	121.3594	0.772	5	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(CC[6a]O){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.1710	0.079	2	119.0697	0.705	15	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.7030	0.000	1	119.0697	0.705	15	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(CC[6a]O){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.4060	1.305	2	119.0697	0.705	15	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.0771	0.741	9	119.0697	0.705	15	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|H<1>,2|C<3>}	118.4940	0.000	1	119.0697	0.705	15	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[6a]O){2|C<3>}	120.6720	0.000	1	120.6720	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	119.4030	0.076	2	119.4030	0.006	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.5440	0.000	1	120.0540	2.157	5	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|C<4>}	120.8395	0.026	2	120.0540	2.157	5	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.0235	2.261	2	120.0540	2.157	5	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[6a]O){2|C<3>}	120.4360	0.000	1	120.4360	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.3700	0.000	1	119.3700	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]F)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]F)2(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.9175	0.908	6	118.9175	0.824	6	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	119.5730	0.000	1	119.7067	0.679	6	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	118.8300	0.000	1	119.7067	0.679	6	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	119.9592	0.886	4	119.7067	0.679	6	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	120.4810	0.000	1	120.4810	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.7250	0.000	1	120.1798	0.716	28	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.7550	0.190	2	120.1798	0.716	28	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,1|H<1>,1|N<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.8910	0.000	1	120.1798	0.716	28	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.9654	1.086	11	120.1798	0.716	28	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.0938	0.762	10	120.1798	0.716	28	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.4503	0.100	3	120.1798	0.716	28	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	121.0150	0.000	1	121.5410	0.553	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	122.0670	0.000	1	121.5410	0.553	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O){1|H<1>,2|C<3>}	120.3640	0.000	1	121.1105	1.115	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]O){3|C<3>}	121.8570	0.000	1	121.1105	1.115	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	121.1887	0.775	3	121.5240	0.851	4	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	122.5300	0.000	1	121.5240	0.851	4	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(CC[6a]O){1|H<1>,2|C<3>}	120.0710	0.000	1	120.0710	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]O){5|C<3>}	119.7627	0.491	4	119.7627	0.241	4	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<4>,2|C<3>}	118.6520	0.000	1	119.6328	0.773	4	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){1|C<4>,2|C<3>}	119.4840	0.000	1	119.6328	0.773	4	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){3|C<3>}	119.6070	0.000	1	119.6328	0.773	4	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]O){3|C<3>}	120.7880	0.000	1	119.6328	0.773	4	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|C<4>}	117.8050	3.818	3	121.0084	5.577	16	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	121.6602	1.380	9	121.0084	5.577	16	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|H<1>,2|C<3>}	121.9445	0.620	4	121.0084	5.577	16	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	120.4820	0.000	1	121.0444	2.420	5	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O){1|C<2>,1|C<3>}	122.2680	0.000	1	121.0444	2.420	5	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O){1|C<4>,2|C<3>}	118.5810	0.000	1	121.0444	2.420	5	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	121.6490	0.000	1	121.0444	2.420	5	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O){1|C<2>,1|C<3>}	122.2420	0.000	1	121.0444	2.420	5	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	121.4170	0.000	1	120.5020	1.431	43	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.7425	0.269	4	120.5020	1.431	43	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.8000	0.589	5	120.5020	1.431	43	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<4>,2|C<3>}	120.7345	0.062	2	120.5020	1.431	43	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	120.8690	0.000	1	120.5020	1.431	43	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){3|C<3>}	122.5750	0.000	1	120.5020	1.431	43	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.1400	0.356	3	120.5020	1.431	43	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.6360	0.000	1	120.5020	1.431	43	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.7926	1.533	5	120.5020	1.431	43	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	122.4700	0.000	1	120.5020	1.431	43	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.1725	1.594	6	120.5020	1.431	43	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){3|C<3>}	117.6220	0.000	1	120.5020	1.431	43	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.1133	1.624	3	120.5020	1.431	43	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.1376	0.919	7	120.5020	1.431	43	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.9190	0.421	2	120.5020	1.431	43	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]H)(CC[6a]O){4|C<3>}	123.6490	0.000	1	123.6490	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	121.5595	1.469	2	121.5595	2.157	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]O){1|C<3>,2|H<1>}	125.8750	0.365	2	125.8750	0.133	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CC[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.6240	0.000	1	119.6240	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	122.1330	0.000	1	122.1330	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O){1|C<3>,1|H<1>}	121.7270	0.000	1	121.7270	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.0240	0.000	1	120.3310	0.188	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]O){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.6380	0.000	1	120.3310	0.188	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]2)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]2)2(CC[6a]O){7|C<3>}	117.8809	0.934	10	117.8809	0.872	10	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]C)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)2(CC[6a]O){1|C<3>,2|H<1>}	122.0270	0.000	1	122.0270	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|B<3>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.3280	0.000	1	120.3224	1.521	205	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	120.2287	0.816	3	120.3224	1.521	205	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.9720	0.000	1	120.3224	1.521	205	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){3|C<3>}	119.6293	0.801	3	120.3224	1.521	205	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	117.4420	0.634	2	120.3224	1.521	205	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.5809	0.630	14	120.3224	1.521	205	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|H<1>,1|I<1>}	121.0580	0.000	1	120.3224	1.521	205	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|H<1>,1|I<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.7140	0.000	1	120.3224	1.521	205	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.7595	0.590	2	120.3224	1.521	205	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	120.7135	1.050	2	120.3224	1.521	205	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){3|C<3>}	120.5638	0.941	6	120.3224	1.521	205	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.3530	0.489	4	120.3224	1.521	205	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|C<4>}	120.9050	0.000	1	120.3224	1.521	205	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.3938	1.642	6	120.3224	1.521	205	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.4323	1.357	104	120.3224	1.521	205	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|H<1>,2|C<3>}	119.7526	0.998	5	120.3224	1.521	205	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){3|C<3>}	120.0462	1.118	40	120.3224	1.521	205	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|N<2>,2|H<1>}	119.8780	0.426	2	120.3224	1.521	205	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.6420	0.000	1	120.3224	1.521	205	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|H<1>,2|C<3>}	120.0337	0.579	3	120.3224	1.521	205	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){3|C<3>}	119.7823	1.189	3	120.3224	1.521	205	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]O)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)2(CC[6a]O){1|C<3>,2|H<1>}	121.3960	0.000	1	121.3960	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(CC[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|O<2>}	121.0370	0.000	1	121.0370	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.5140	0.000	1	119.5140	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	116.4540	0.000	1	117.8065	3.659	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)(CC[6a]O){4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.1590	0.000	1	117.8065	3.659	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.7620	0.000	1	119.0053	2.486	3	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]O){4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.6270	2.028	2	119.0053	2.486	3	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C)(CC[6a]O){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.5000	0.315	2	118.5000	0.099	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.6010	0.000	1	119.2999	0.537	8	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.0695	0.337	4	119.2999	0.537	8	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]H)(CC[6a]O){1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.1733	0.857	3	119.2999	0.537	8	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6a]O){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	125.0580	0.000	1	125.0580	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]O)2(CC[6a]O)	C[6a](C[6a]C[6a]C)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]O)2(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(CC[6a]O){1|C<3>,2|O<2>}	124.2210	0.000	1	124.2210	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]2)(CC[6a]O){6|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	117.2950	0.000	1	117.2950	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a]O)(CC[6a]O){4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	117.8055	2.125	2	117.8055	4.515	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]O[6a])(C[6a]N[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]O[6a])(C[6a]N[6a]O)(CC[6a]O){4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.6360	0.000	1	118.6360	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]C)(CC[6a]O){1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	120.6760	0.000	1	120.6760	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]H)(CC[6a]O){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	122.3667	0.475	3	122.3667	0.225	3	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]N[6a,6a]O)(C[6a]N[6a]C)(CC[6a]O){2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.7270	0.000	2	120.7270	0.000	2	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]O[6a]C[3])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(O)	C[6a](C[6a]O[6a]C[3])(C[6a]C[6a]2)(CC[6a]O){1|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	117.3710	0.000	1	117.3710	0.000	1	120.0891	2.692	612	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]N)(CC[6a]O){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	117.7170	0.000	1	117.7170	0.000	1	120.2030	12.360	2	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(CC[6a]O){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	122.6890	0.000	1	122.6890	0.000	1	120.2030	12.360	2	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CC[6a]O){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.5970	0.000	1	118.5970	0.000	1	118.8620	0.140	2	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	N[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.1270	0.000	1	119.1270	0.000	1	118.8620	0.140	2	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-1:	N[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)(O)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(CC[6a]O){1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	119.7400	0.000	1	119.7400	0.000	1	119.7400	0.000	1	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(S)	C[6a](C[6a]C[6a]C)2(CC[6a]S)	C[6a](C[6a]C[6a]H)2(CC[6a]S)	C(C[6a]C[6a]2)2(S)	C[6a](C[6a]C[6a]C)2(CC[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]S){1|C<3>,2|H<1>}	117.7820	0.713	2	117.7820	0.508	2	117.7820	0.508	2	120.0606	4.422	854	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])2(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	C(C[6a]C[6a]N[6a])2(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|C<3>,2|H<1>}	119.3433	0.621	7	119.3433	0.385	7	119.3728	0.457	10	119.3728	0.457	10	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])2(NS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	C(C[6a]C[6a]N[6a])2(NS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|C<3>,2|H<1>}	119.4417	0.945	3	119.4417	0.893	3	119.3728	0.457	10	119.3728	0.457	10	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	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)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.1750	0.000	1	118.1750	0.000	1	119.0239	1.688	19	118.8346	2.316	20	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	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)(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	116.5905	0.326	2	116.5905	0.106	2	119.0239	1.688	19	118.8346	2.316	20	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	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)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	119.3204	1.027	15	119.3204	1.056	15	119.0239	1.688	19	118.8346	2.316	20	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	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)(NO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	120.2930	0.000	1	120.2930	0.000	1	119.0239	1.688	19	118.8346	2.316	20	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:P-2:	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)(PC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CC[6a]P)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]P){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]P){1|C<3>,2|H<1>}	115.2370	0.000	1	115.2370	0.000	1	115.2370	0.000	1	118.8346	2.316	20	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-2:C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]N){1|C<3>,2|H<1>}	119.4630	0.000	1	119.4630	0.000	1	119.4630	0.000	1	119.4630	0.000	1	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(CC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(CC[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	119.2840	0.000	1	119.2840	0.000	1	120.5228	2.813	69	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(CC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	120.5900	0.000	1	120.5900	0.000	1	120.5228	2.813	69	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	123.3038	1.363	6	123.3038	1.858	6	120.5228	2.813	69	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(CC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	118.0200	0.000	1	118.0200	0.000	1	120.5228	2.813	69	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	119.1205	0.569	2	119.1205	0.324	2	120.5228	2.813	69	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	118.7610	1.008	2	118.7610	1.017	2	120.5228	2.813	69	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	119.2430	0.000	1	120.5870	1.768	43	120.5228	2.813	69	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	120.6190	1.329	42	120.5870	1.768	43	120.5228	2.813	69	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(CC[3])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[3])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.9435	0.678	2	117.9435	0.460	2	120.5228	2.813	69	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(CC[3])	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[3])	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	121.8025	0.743	2	121.8025	0.552	2	120.5228	2.813	69	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(CC[4])	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[4])	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	119.5040	0.000	1	119.5040	0.000	1	120.5228	2.813	69	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(CC[4a])	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[4a])	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	121.7270	1.557	2	121.7270	2.424	2	120.5228	2.813	69	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(CC[6])	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6])	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	119.7615	0.842	4	119.7615	0.708	4	120.5228	2.813	69	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(CRu)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CRu)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.9285	0.132	2	117.9285	0.017	2	120.5228	2.813	69	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6,6a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6,6a]C[6,6a]C[6])2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6,6a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6,6a]C[6,6a]C[6])2(CC[6a]N){1|C<3>,8|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	126.1540	0.000	1	126.1540	0.000	1	126.1540	0.000	1	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a,6a]-3:C[5,6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CC[6a]N){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.9750	0.000	1	117.9750	0.000	1	117.9750	0.000	1	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	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)(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	116.8980	1.075	2	116.8980	1.155	2	116.8980	1.155	2	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[6a]N){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	118.5910	0.000	1	118.5910	0.000	1	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	119.4440	0.000	1	118.9480	0.492	2	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.4520	0.000	1	118.9480	0.492	2	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.9013	0.853	3	118.8721	1.068	9	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.8575	1.191	6	118.8721	1.068	9	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	119.0401	0.569	12	118.8959	0.410	14	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.0305	0.165	2	118.8959	0.410	14	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.2336	1.444	55	118.2336	2.086	55	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]N)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]N){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|H<1>}	116.9720	0.204	2	116.9720	0.041	2	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(CC[6a]N){4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	116.8510	0.000	1	116.8510	0.000	1	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[5a])	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[5a])	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.7730	0.921	2	118.7730	0.848	2	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.7010	0.000	1	118.7010	0.000	1	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6])	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6])	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.0075	0.547	2	117.0075	0.299	2	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	116.8545	0.050	2	118.2373	0.910	10	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.5830	0.698	8	118.2373	0.910	10	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	120.2775	0.047	2	118.9056	1.536	15	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	120.0150	0.000	1	118.9056	1.536	15	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.0885	0.764	2	118.9056	1.536	15	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.0920	0.978	7	118.9056	1.536	15	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	120.2375	0.070	2	118.9056	1.536	15	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	119.7180	0.000	1	118.9056	1.536	15	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.9919	0.764	27	117.9919	0.583	27	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]O)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)2(CC[6a]N){1|C<3>,2|H<1>}	117.6505	0.142	2	117.6505	0.020	2	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6a])	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.1390	0.000	1	117.1390	0.000	1	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NCo)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NCo)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.1700	0.000	1	118.1700	0.000	1	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NFe)	C[6a](C[6a]C[6a]F)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NFe)	C[6a](C[6a]C[6a]F)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.5630	0.000	1	117.5630	0.000	1	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NFe)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NFe)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.6940	0.000	1	117.6940	0.000	1	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.7707	0.707	3	118.7707	0.500	3	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CC[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.3790	0.000	1	117.3790	0.000	1	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]Br)2(CC[6a]N)	C[6a](C[6a]C[6a]Br)2(CC[6a]N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]Br)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)2(CC[6a]N){1|C<3>,2|H<1>}	126.7280	1.051	3	126.7280	1.105	3	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]Br)2(CC[6a]N)	C[6a](C[6a]C[6a]C)2(CC[6a]N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]Br)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(CC[6a]N){1|C<3>,2|H<1>}	125.6130	0.228	2	125.6130	0.052	2	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.4440	0.830	3	118.4545	0.460	4	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.4860	0.000	1	118.4545	0.460	4	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	124.9680	0.000	1	124.9680	0.000	1	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]Cl)2(CC[6a]N)	C[6a](C[6a]C[6a]Cl)2(CC[6a]N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]Cl)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]N){1|C<3>,2|H<1>}	127.1120	0.000	1	127.1120	0.000	1	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.6530	0.000	1	118.6530	0.000	1	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	120.7525	0.759	2	120.4550	0.766	13	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	120.1754	1.011	7	120.4550	0.766	13	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	120.6630	0.738	3	120.4550	0.766	13	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	121.1930	0.000	1	120.4550	0.766	13	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	119.5432	1.577	74	120.0649	6.879	80	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|H<1>,2|C<3>}	128.5110	0.000	1	120.0649	6.879	80	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|N<2>,2|H<1>}	117.7820	0.000	1	120.0649	6.879	80	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){3|C<3>}	128.0775	0.974	2	120.0649	6.879	80	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|N<2>,2|H<1>}	129.0410	0.000	1	120.0649	6.879	80	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){3|C<3>}	127.5050	0.000	1	120.0649	6.879	80	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC[6a]N){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.7700	0.000	1	117.7700	0.000	1	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	119.9430	0.000	1	119.9430	0.000	1	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]N)	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]N){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]N){1|C<3>,1|H<1>}	118.7970	0.000	1	118.7970	0.000	1	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	119.8240	0.599	3	119.8351	0.407	14	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	119.7099	0.554	10	119.8351	0.407	14	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NO)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|N<2>,2|H<1>}	121.1210	0.000	1	119.8351	0.407	14	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NOs)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NOs)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	125.7760	0.000	1	125.7760	0.000	1	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NP)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NP)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.0474	0.987	5	117.0474	0.975	5	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NRh)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NRh)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	115.9390	0.000	1	115.9390	0.000	1	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NRu)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NRu)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	116.5545	1.160	2	116.5545	1.346	2	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NS)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NS)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.2980	0.000	1	117.2980	0.000	1	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]N)	C(C[6a]C[6a]2)2(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]N){1|H<1>,2|C<3>}	114.8780	0.089	2	114.8780	0.008	2	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.8680	0.731	2	117.8680	0.535	2	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NS)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NS)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.7080	0.344	2	118.7080	0.118	2	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NS[5])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NS[5])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.5800	0.000	1	118.5800	0.000	1	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NS[5])	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NS[5])	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	120.3780	0.864	2	120.3780	0.747	2	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(NTi)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NTi)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.4873	2.389	3	117.4873	5.709	3	119.1167	5.060	295	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(OCa)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(OCa)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.6570	2.366	2	120.6570	5.598	2	122.1527	8.285	28	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(OCo)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]F)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(OCo)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]F)(CC[6a]O){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	128.2150	0.000	1	128.2150	0.000	1	122.1527	8.285	28	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(OCo)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(OCo)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	128.2370	0.000	1	128.2370	0.000	1	122.1527	8.285	28	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(OCo)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(OCo)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.2930	0.000	1	120.9989	2.950	10	122.1527	8.285	28	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(OCo)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(OCo)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.8992	2.252	6	120.9989	2.950	10	122.1527	8.285	28	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(OCo)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(OCo)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.4337	0.187	3	120.9989	2.950	10	122.1527	8.285	28	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(OCr)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(OCr)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.6760	0.000	1	120.6760	0.000	1	122.1527	8.285	28	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(OCu)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(OCu)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.2290	0.000	1	120.2290	0.000	1	122.1527	8.285	28	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(ODy)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(ODy)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	118.8810	0.000	1	118.8810	0.000	1	122.1527	8.285	28	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(OFe)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(OFe)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.9000	0.000	1	121.9000	0.000	1	122.1527	8.285	28	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(OLi)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(OLi)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.2290	0.000	1	121.2290	0.000	1	122.1527	8.285	28	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(OMg)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(OMg)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	125.7720	0.000	1	125.7720	0.000	1	122.1527	8.285	28	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(ONi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(ONi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.9970	0.000	1	121.9970	0.000	1	122.1527	8.285	28	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(OOs)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(OOs)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	126.9520	0.509	2	126.9520	0.259	2	122.1527	8.285	28	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(ORu)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(ORu)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	124.8820	0.000	1	124.8820	0.000	1	122.1527	8.285	28	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(OTa)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(OTa)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	122.7930	0.000	1	122.7930	0.000	1	122.1527	8.285	28	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(OY)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]O)	C(C[6a]C[6a]2)2(OY)	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]O){1|C<3>,2|H<1>}	120.0857	1.087	3	120.0857	1.181	3	122.1527	8.285	28	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-2:	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)(PC[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CC[6a]P)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]P){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]P){1|C<3>,2|H<1>}	117.1900	0.000	1	117.1900	0.000	1	117.2980	0.642	3	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-2:	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)(PC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CC[6a]P)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(CC[6a]P){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]P){1|C<3>,2|H<1>}	118.1480	0.000	1	118.1480	0.000	1	117.2980	0.642	3	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-2:	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)(PC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CC[6a]P)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(PC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]P){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]P){1|C<3>,2|H<1>}	116.5560	0.000	1	116.5560	0.000	1	117.2980	0.642	3	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(PC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CC[6a]P)	C(C[6a]C[6a]2)2(PC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]P){1|C<3>,2|H<1>}	116.8952	0.883	5	116.6140	1.099	6	116.6140	1.099	6	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(PC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CC[6a]P)	C(C[6a]C[6a]2)2(PC[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]P){1|H<1>,2|C<3>}	115.2080	0.000	1	116.6140	1.099	6	116.6140	1.099	6	119.5192	5.811	405	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	2:3:3:	2:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	N[6a]-2:C[6a]-3:C-3:	N[6a]-2:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]C[6])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]C[6])	C(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]C[6]){1|C<3>,1|C<4>,1|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]C[6]){1|C<3>,1|H<1>,1|N<2>}	117.6130	0.000	1	117.6130	0.000	1	117.6130	0.000	1	117.6130	0.000	1	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-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])(C[6a]C[6a]2)(CC[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	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[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	116.3830	0.000	1	116.3830	0.000	1	116.0080	0.281	2	116.5183	0.922	3	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-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])(C[6a]C[6a]2)(CC[6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]C)	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]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(CC[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.6330	0.000	1	115.6330	0.000	1	116.0080	0.281	2	116.5183	0.922	3	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	N[6a]-2:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	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[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.5390	0.000	1	117.5390	0.000	1	117.5390	0.000	1	116.5183	0.922	3	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-2:C-3:	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[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C)	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[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C){1|C<3>,2|H<1>}	117.6390	0.000	1	117.6390	0.000	1	117.6390	0.000	1	117.6390	0.000	1	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[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[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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.0282	1.005	6	114.0282	1.010	6	114.0282	1.010	6	114.7046	2.452	14	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[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[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.8850	1.485	6	115.2119	3.146	8	115.2119	3.146	8	114.7046	2.452	14	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[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[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	113.1925	0.336	2	115.2119	3.146	8	115.2119	3.146	8	114.7046	2.452	14	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-3:N[6a]-2:	C[6a]-3:C-3:N[6a]-2:	C(C[6a]C[6a]N[6a])2(C[5]S[5]2)	C[6a](C[6a]C[6a]H)(CC[6a]C[5])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(CC[6a]C[5])(N[6a]C[6a])	C(C[6a]C[6a]N[6a])2(C[5]S[5]2)	C[6a](C[6a]C[6a]H)(CC[6a]C[5])(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(CC[6a]C[5])(N[6a]C[6a]){1|C<3>,2|H<1>}	117.9960	0.000	1	117.9960	0.000	1	117.9960	0.000	1	117.9960	0.000	1	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[5,5]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:N[6a]-2:	C-3:C[6a]-3:C[6a]-3:	C(C[5,5]C[5,5,6]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](CC[5,5]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[6a](CC[5,5]C[6a])(C[6a]C[6a]H)2	C(C[5,5]C[5,5,6]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](CC[5,5]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](CC[5,5]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	116.6640	0.000	1	116.6640	0.000	1	116.6640	0.000	1	116.3450	0.204	2	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C-3:N[6a]-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(CC[6a]C[5])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(CC[6a]C[5])(N[6a]C[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	116.0260	0.000	1	116.0260	0.000	1	116.0260	0.000	1	116.3450	0.204	2	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[6a]-2:N[6a]-2: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[6a](N[6a]C[6a])2(CC[6a]C)	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[6a](N[6a]C[6a])2(CC[6a]C){1|C<3>,2|H<1>}	114.7170	0.000	1	114.7170	0.000	1	114.7170	0.000	1	114.7170	0.000	1	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	2:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	N[6a]-2:C[6a]-3:C-3:	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[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CC[6a]C)	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[6a](N[6a]C[6a,6a])(C[6a]O[6a]O)(CC[6a]C){2|C<3>}	123.3840	0.000	1	123.3840	0.000	1	123.3840	0.000	1	123.3840	0.000	1	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N[6a]-2:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6])	C[6a](C[6a]C[6a]C)(CC[6a]C[6])(N[6a]C[6a])	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(CC[6a]C[6])(N[6a]C[6a]){1|C<3>,2|H<1>}	114.7480	0.385	2	114.7480	0.148	2	114.7480	0.148	2	114.7480	0.148	2	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a]-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[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.9175	0.443	2	114.9175	0.197	2	115.6848	0.851	4	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a]-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[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.4520	0.023	2	116.4520	0.001	2	115.6848	0.851	4	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[4]C[3,4]C[4])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C[4])	C[6a](C[6a]C[6a]H)2(CC[6a]C[4])	C(C[4]C[3,4]C[4])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C[4]){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[4]){1|C<3>,2|H<1>}	117.2410	0.000	1	117.2410	0.000	1	116.5287	2.114	3	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[4]C[4,5]C[4])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[4])	C[6a](C[6a]C[6a]H)2(CC[6a]C[4])	C(C[4]C[4,5]C[4])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[4]){1|C<3>,2|H<1>}	117.4890	0.000	1	117.4890	0.000	1	116.5287	2.114	3	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[4]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[4]N[4,6]C[4])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[4])	C[6a](C[6a]C[6a]H)2(CC[6a]C[4])	C(C[4]N[4,6]C[4])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[4]){1|C<3>,2|H<1>}	114.8560	0.000	1	114.8560	0.000	1	116.5287	2.114	3	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[4a]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C(C[4a]C[4a,6a]C[4a])(C[6a]C[6a]2)2	C[6a](CC[4a]C[6a])(C[6a]C[6a]H)2	C[6a](CC[4a]C[6a])(C[6a]C[6a]H)2	C(C[4a]C[4a,6a]C[4a])(C[6a]C[6a]2)2	C[6a](CC[4a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[4a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.2430	0.283	2	114.2430	0.080	2	114.2430	0.080	2	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5,5]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C(C[5,5]C[5,5,6]2)(C[6a]C[6a]2)2	C[6a](CC[5,5]C[6a])(C[6a]C[6a]H)2	C[6a](CC[5,5]C[6a])(C[6a]C[6a]H)2	C(C[5,5]C[5,5,6]2)(C[6a]C[6a]2)2	C[6a](CC[5,5]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5,5]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	116.6615	1.354	2	116.6615	1.834	2	116.6615	1.834	2	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C(C[5,6]C[3,5,6]C[5,6,6])(C[6a]C[6a]2)2	C[6a](CC[5,6]C[6a])(C[6a]C[6a]H)2	C[6a](CC[5,6]C[6a])(C[6a]C[6a]H)2	C(C[5,6]C[3,5,6]C[5,6,6])(C[6a]C[6a]2)2	C[6a](CC[5,6]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5,6]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	115.3010	0.156	2	115.3010	0.024	2	115.3010	0.024	2	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C(C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	115.0400	0.643	2	115.0400	0.414	2	115.4885	2.779	73	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	113.3050	0.000	1	113.3050	0.000	1	115.4885	2.779	73	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,5a]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C(C[5]C[5,5a]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	115.2810	0.000	1	115.2810	0.000	1	115.4885	2.779	73	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	115.8178	1.524	18	115.8178	2.324	18	115.4885	2.779	73	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[5])	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[5]){1|C<3>,2|H<1>}	111.4080	0.000	1	111.4080	0.000	1	115.4885	2.779	73	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C[5])	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C[5]){1|C<3>,2|H<1>}	113.3150	1.679	3	113.3150	2.819	3	115.4885	2.779	73	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,1|H<1>,1|O<2>}	113.9035	2.152	2	114.5412	1.600	9	115.4885	2.779	73	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	114.7234	1.090	7	114.5412	1.600	9	115.4885	2.779	73	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CC[6a]C[5])	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CC[6a]C[5])	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CC[6a]C[5]){1|C<3>,2|H<1>}	113.1190	0.000	1	113.1190	0.000	1	115.4885	2.779	73	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	115.1455	0.939	4	115.1455	0.882	4	115.4885	2.779	73	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	116.0883	0.382	3	116.0883	0.146	3	115.4885	2.779	73	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	117.0030	0.000	1	117.0030	0.000	1	115.4885	2.779	73	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|H<1>,2|C<3>}	116.1640	0.000	1	116.1640	0.000	1	115.4885	2.779	73	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C[5]){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	116.6210	0.844	2	116.6210	0.713	2	115.4885	2.779	73	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	115.5900	0.000	1	115.2053	2.697	16	115.4885	2.779	73	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	115.1797	1.697	15	115.2053	2.697	16	115.4885	2.779	73	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C(C[5]C[5]O[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	117.3393	0.628	10	117.3393	0.395	10	115.4885	2.779	73	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C(C[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C(C[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	116.0920	0.000	1	116.0920	0.000	1	115.9437	1.557	9	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	116.6790	0.000	1	116.6790	0.000	1	115.9437	1.557	9	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](CC[5a]C[6a])(C[6a]C[6a]C)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a](CC[5a]C[6a])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	114.6730	0.000	1	114.6730	0.000	1	115.9437	1.557	9	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]C)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|H<1>,2|C<3>}	117.3160	1.597	2	117.3160	2.549	2	115.9437	1.557	9	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.2040	0.000	1	114.2040	0.000	1	115.9437	1.557	9	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	115.7377	0.637	3	115.7377	0.405	3	115.9437	1.557	9	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]C[6a])	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]C[6a]){2|H<1>,5|C<3>}	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	119.8910	0.307	2	119.8910	0.094	2	119.8910	0.094	2	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(CC[5a]C[6a])(C[6a]C[6a]H)	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(CC[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	118.2810	0.911	2	118.2810	0.829	2	118.3747	3.781	10	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]Cu)(CC[5a]C[6a])(C[6a]C[6a]H)	C[6a](CC[5a]C[6a])(C[6a]C[6a]C)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]Cu)(CC[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](CC[5a]C[6a])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	119.9310	0.438	2	119.9310	0.192	2	118.3747	3.781	10	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(CC[5a]C[6a])(C[6a]C[6a]H)	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(CC[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.4410	0.000	1	114.4410	0.000	1	118.3747	3.781	10	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Ni)(CC[5a]C[6a])(C[6a]C[6a]O)	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Ni)(CC[5a]C[6a])(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	120.2640	0.983	2	120.2640	0.966	2	118.3747	3.781	10	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pd)(CC[5a]C[6a])(C[6a]C[6a]H)	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pd)(CC[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>}	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	118.0260	0.178	2	118.0260	0.032	2	118.3747	3.781	10	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(CC[5a]C[6a])(C[6a]C[6a]H)	C[6a](CC[5a]C[6a])(C[6a]C[6a]C)2	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(CC[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[6a](CC[5a]C[6a])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	116.3020	0.000	1	116.3020	0.000	1	118.3747	3.781	10	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6]B[6]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C(C[6]B[6]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	116.9890	0.000	1	116.9890	0.000	1	114.2620	4.104	24	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	112.4330	0.000	1	112.4330	0.000	1	114.2620	4.104	24	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	115.0720	0.000	1	115.0720	0.000	1	114.2620	4.104	24	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C(C[6]C[6,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	113.7248	1.259	5	113.7248	1.586	5	114.2620	4.104	24	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6]){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6]){1|Br<1>,1|C<3>,1|H<1>}	110.1730	0.000	1	111.5943	1.740	3	114.2620	4.104	24	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6]){1|C<3>,1|H<1>,1|N<3>}	111.8310	0.000	1	111.5943	1.740	3	114.2620	4.104	24	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6]){1|C<3>,2|H<1>}	112.7790	0.000	1	111.5943	1.740	3	114.2620	4.104	24	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6])	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	112.4505	3.102	2	112.4505	9.623	2	114.2620	4.104	24	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	112.9070	0.861	2	112.9070	0.742	2	114.2620	4.104	24	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CC[6a]C[6])	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CC[6a]C[6]){1|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	114.7310	0.000	1	114.7310	0.000	1	114.2620	4.104	24	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(CC[6a]C[6])	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	115.2940	0.000	1	115.2940	0.000	1	114.2620	4.104	24	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]C[6])	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]C[6]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	116.4650	0.000	1	116.4650	0.000	1	114.2620	4.104	24	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	116.1970	0.476	6	116.1970	0.226	6	114.2620	4.104	24	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a]-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[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]C){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	113.5420	0.000	1	113.5420	0.000	1	113.5420	0.000	1	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C(C[6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]C[5]){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	114.7080	0.000	1	114.7080	0.000	1	114.7080	0.000	1	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-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)(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C(C[6a]C[6a,6a]2)(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]C[5]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	120.1545	1.302	2	120.1545	1.695	2	120.1545	1.695	2	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-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[5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C(C[6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	116.0850	0.000	1	116.0850	0.000	1	117.7007	0.896	7	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[6a]-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[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C[5]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	117.9700	0.682	6	117.9700	0.466	6	117.7007	0.896	7	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C(C[6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]O[5])(CC[5a]C[6a])(C[6a]C[6a]H)	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C(C[6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]O[5])(CC[5a]C[6a])(C[6a]C[6a]H){1|Re<6>,1|H<1>,3|C<3>}	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.6770	0.385	2	113.6770	0.148	2	113.2643	0.329	4	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C(C[6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]S[5])(CC[5a]C[6a])(C[6a]C[6a]H)	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C(C[6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]S[5])(CC[5a]C[6a])(C[6a]C[6a]H){1|Re<6>,1|H<1>,3|C<3>}	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.8515	0.395	2	112.8515	0.156	2	113.2643	0.329	4	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(CC[5a]C[6a])(C[6a]C[6a]H)	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(CC[5a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	114.8920	0.000	1	114.8920	0.000	1	114.8920	0.000	1	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	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[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.4150	0.000	1	116.4150	0.000	1	116.4150	0.000	1	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a,6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	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[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(CCH)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(CC[6a]C){1|N<2>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.3600	0.000	1	116.3600	0.000	1	116.3600	0.000	1	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	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[6a](C[6a]C[6a]Cl)2(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CCH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]C){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]C){1|C<3>,2|H<1>}	118.3930	0.000	1	118.3930	0.000	1	116.1265	10.274	2	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	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[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CC[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	113.8600	0.000	1	113.8600	0.000	1	116.1265	10.274	2	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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,6a]-3:C[6a,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[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]C)	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[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]C){2|H<1>,5|C<3>}	116.8593	1.138	3	116.8593	1.296	3	116.8593	1.296	3	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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,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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C)	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[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C){2|H<1>,3|C<3>}	115.7420	0.000	1	115.7420	0.000	1	115.7420	0.000	1	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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)(CBr2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	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[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	113.6920	0.000	1	113.6920	0.000	1	116.0887	3.524	15	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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)(CCC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.2420	0.066	2	114.2420	0.004	2	116.0887	3.524	15	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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)(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.1950	0.000	1	116.1950	0.000	1	116.0887	3.524	15	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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)(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.7510	0.000	1	116.7510	0.000	1	116.0887	3.524	15	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[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[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.2357	0.715	3	115.2357	0.512	3	116.0887	3.524	15	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(CC[6a]C)	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]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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.0495	0.766	2	117.0495	0.586	2	116.0887	3.524	15	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C)	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]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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.9023	2.149	3	115.9023	4.619	3	116.0887	3.524	15	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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)(CHN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	119.3475	0.309	2	119.3475	0.095	2	116.0887	3.524	15	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[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[6a](C[6a]C[6a,6a]H)(B[6a]N[6a]O)(CC[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.1520	0.565	4	115.1520	0.319	4	115.1520	0.319	4	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CB[5,5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.2105	0.571	2	114.2105	0.326	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CB[5]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.7290	0.000	1	116.7290	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CB[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.2780	0.000	1	115.2780	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CB[5]Te)	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CB[5]Te)	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	120.4710	0.000	1	120.4710	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.6378	2.424	20	116.7232	5.448	22	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|H<1>,2|C<3>}	117.5770	1.096	2	116.7232	5.448	22	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCF)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.8670	0.000	1	116.8670	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCH)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,1|C<4>,1|F<1>}	117.5260	0.000	1	117.5260	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.3310	0.000	1	116.3310	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	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[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	113.5895	0.692	2	115.4110	3.363	7	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	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[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	116.1396	1.613	5	115.4110	3.363	7	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	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[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C){1|C<3>,2|H<1>}	119.3400	0.000	1	117.0350	10.626	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	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[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C){1|C<3>,2|H<1>}	114.7300	0.000	1	117.0350	10.626	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|O<2>}	117.6895	0.887	2	117.6018	3.110	5	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.5433	2.411	3	117.6018	3.110	5	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCH)	C[6a](C[6a]C[6a]C)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.1000	0.000	1	117.1000	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCH)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]C)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	118.2710	0.000	1	118.2710	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]C)	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[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	119.5020	0.000	1	119.5020	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCH)	C[6a](C[6a]C[6a]Cl)2(CC[6a]C)	C[6a](C[6a]C[6a]Cl)2(CC[6a]C)	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[6a](C[6a]C[6a]Cl)2(CC[6a]C){1|C<3>,2|H<1>}	119.3460	0.000	1	119.3460	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCH)	C[6a](C[6a]C[6a]F)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.2210	1.234	3	116.2210	1.524	3	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.7624	1.380	5	116.2337	2.855	6	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	118.5900	0.000	1	116.2337	2.855	6	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCH)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,1|H<1>,1|N<3>}	116.9410	0.000	1	116.9410	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|C<4>}	119.6220	0.000	1	117.2389	1.926	98	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	118.2840	0.661	3	117.2389	1.926	98	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.1802	1.378	94	117.2389	1.926	98	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]O)2(CC[6a]C)	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[6a](C[6a]C[6a]O)2(CC[6a]C){1|C<3>,2|H<1>}	116.8550	0.000	1	116.8550	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCH)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	119.3150	0.190	2	119.3150	0.036	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCH)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.6165	0.865	2	116.6165	0.748	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCI)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.1060	1.150	2	115.1060	1.322	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCN)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.4747	1.590	3	115.4747	2.527	3	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCO)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.5202	0.843	5	116.5202	0.711	5	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCP)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	112.9113	0.892	3	112.9113	0.795	3	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.9750	0.000	1	114.9750	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCS)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.5305	0.016	2	114.5305	0.000	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[3]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.1825	0.496	2	117.1825	0.246	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[4]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.3600	0.000	1	114.3600	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[4]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.3450	0.000	1	116.3450	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[5,6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.8450	0.000	1	115.8450	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[5]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	112.9870	0.000	1	114.5855	1.051	8	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[5]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.8139	0.860	7	114.5855	1.051	8	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[5]C)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.4580	0.000	1	115.4580	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.4349	1.786	8	116.4349	3.191	8	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[5]I)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.6340	0.000	1	115.6340	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[5]Pd)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[5]Pd)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.1905	1.535	2	117.1905	2.357	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[5a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	113.8890	0.447	2	113.8890	0.200	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[5a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.9574	0.701	11	116.9574	0.492	11	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[5a]O)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.3900	0.000	1	116.3900	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	113.4770	0.000	1	113.4770	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6]Br)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.8310	0.000	1	114.8310	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.7860	0.000	1	115.7860	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.0910	0.880	2	117.0910	0.774	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.8390	1.144	8	116.8390	1.308	8	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[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[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[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>}	113.4460	0.000	1	113.4705	0.001	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[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[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[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>}	113.4950	0.000	1	113.4705	0.001	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.7302	0.808	5	114.7302	0.653	5	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.5000	0.069	2	114.5000	0.005	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	113.3170	0.078	2	113.3170	0.006	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a](C[6a]C[6,6a]H)2(CC[6a]C)	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[6a](C[6a]C[6,6a]H)2(CC[6a]C){1|C<3>,2|C<4>}	116.1320	0.000	1	116.1320	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.6395	1.273	2	115.6395	1.622	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[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[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]C){1|H<1>,2|C<3>}	115.1050	0.000	1	115.1050	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.0733	0.379	3	114.0733	0.144	3	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.1070	0.000	1	114.1070	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.7890	0.000	1	114.7890	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[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[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]C){2|H<1>,3|C<3>}	110.7035	0.729	4	110.7035	0.531	4	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.2760	1.467	24	114.2760	2.153	24	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	113.1600	0.000	1	113.1600	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a](C[6a]C[6a]C)2(CC[6a]C)	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[6a](C[6a]C[6a]C)2(CC[6a]C){1|C<3>,2|H<1>}	116.7900	0.000	1	116.7900	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[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[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[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|C<4>,3|H<1>}	113.0315	0.144	2	113.0315	0.021	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a](C[6a]C[6a]D)2(CC[6a]C)	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[6a](C[6a]C[6a]D)2(CC[6a]C){1|C<3>,2|D<1>}	114.7980	0.690	4	114.7980	0.476	4	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[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[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,1|H<1>,1|O<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>}	114.6670	0.000	1	114.2467	0.649	7	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[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[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,2|H<1>}	114.1767	0.858	6	114.2467	0.649	7	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.8840	0.751	2	115.8840	0.564	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,1|C<4>,1|H<1>}	116.3562	1.112	4	114.8042	1.119	437	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	113.4850	0.000	1	114.8042	1.119	437	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|C<4>}	116.0150	0.000	1	114.8042	1.119	437	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.7913	1.027	404	114.8042	1.119	437	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|H<1>,2|C<3>}	115.5939	1.158	9	114.8042	1.119	437	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|N<2>,2|H<1>}	114.7050	0.000	1	114.8042	1.119	437	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|H<1>,2|C<3>}	114.3567	1.378	14	114.8042	1.119	437	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|N<2>,2|H<1>}	114.2000	0.000	1	114.8042	1.119	437	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.2860	1.015	2	114.8042	1.119	437	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]B)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.8800	2.416	5	114.8800	5.835	5	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]Br)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.4390	0.000	1	114.4390	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]Br)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.5995	0.177	4	115.5995	0.031	4	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]C)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.2520	0.000	1	115.2520	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.6214	2.657	5	115.2933	3.892	10	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.9652	0.755	5	115.2933	3.892	10	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]C)	C[6a](C[6a]C[6a]C)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	112.3540	0.000	1	112.3540	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)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>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.4440	0.000	1	114.8456	3.547	59	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)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>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	113.0060	0.000	1	114.8456	3.547	59	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.9489	1.927	54	114.8456	3.547	59	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)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[6a](C[6a]C[6a]H)2(CC[6a]C){1|N<2>,2|H<1>}	113.7320	0.759	3	114.8456	3.547	59	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]Cl)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.1930	0.000	1	115.1930	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]Cr)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]Cr)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.7660	0.655	2	114.7660	0.429	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]Fe)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]Fe)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.1540	0.202	2	115.1540	0.041	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]P)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.3770	0.000	1	117.3770	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.0490	0.000	1	117.3237	1.234	3	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.9610	0.175	2	117.3237	1.234	3	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]F)(CC[6a]C)	C[6a](C[6a]C[6a]F)2(CC[6a]C)	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[6a](C[6a]C[6a]F)2(CC[6a]C){1|C<3>,2|F<1>}	117.5460	0.000	1	117.5460	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]F)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.2490	0.000	1	116.2490	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	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[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	116.5790	0.000	1	116.5790	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.5000	0.000	1	116.8746	1.598	12	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.1080	0.000	1	116.8746	1.598	12	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.1050	0.415	4	116.8746	1.598	12	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.4112	1.598	6	116.8746	1.598	12	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]H)	C[6a](C[6a]C[6a]C)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.3590	0.000	1	116.3590	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.1097	0.380	3	117.1097	0.145	3	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.2320	0.000	1	117.2320	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.1995	0.548	2	116.1995	0.300	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.5034	1.206	39	116.5114	1.420	40	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|N<2>,2|H<1>}	116.8220	0.000	1	116.5114	1.420	40	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	113.8660	0.000	1	113.8660	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|C<4>}	117.2750	0.000	1	117.6623	0.727	3	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.8560	1.109	2	117.6623	0.727	3	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]H)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.1600	0.000	1	117.1600	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]H)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.5170	0.000	1	115.5170	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]I)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.7510	0.000	1	114.7510	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]Ir)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]Ir)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	120.4053	1.428	3	120.4053	2.038	3	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]Ir)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	110.9740	0.000	1	110.9740	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.5040	0.000	1	116.5040	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]N)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.4140	0.000	1	114.4140	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]Ni)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]Ni)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.6230	0.000	1	115.6230	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.3590	0.000	1	117.3590	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]Pd)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]Pd)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.5320	1.028	2	115.7578	1.008	6	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]Pd)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]Pd)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.3708	0.853	4	115.7578	1.008	6	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]Rh)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]C){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	112.4210	0.000	1	112.4210	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]Rh)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]Rh)	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(CC[6a]C){1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	112.8010	0.000	1	112.8010	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]S)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.0040	0.157	2	115.0040	0.025	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]Si)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	112.9920	0.000	1	112.9920	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]Si)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	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[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	116.8300	0.000	1	116.8300	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]Si)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	113.9720	0.000	1	113.9720	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]Sn)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]F)(CC[6a]C)	C[6a](C[6a]C[6a]F)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]Sn)	C[6a](C[6a]C[6a]Sn)(C[6a]C[6a]F)(CC[6a]C){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(CC[6a]C){1|C<3>,2|F<1>}	118.9910	0.000	1	118.9910	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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]Te)	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]Te)	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	118.8760	0.000	1	118.8760	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CClC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.0410	0.000	1	115.0410	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CCoC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CCoC)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CC[6a]C){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	118.5190	0.000	1	118.5190	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CFeC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CFeC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	118.6440	0.311	2	118.6440	0.097	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	119.9690	0.000	1	119.9690	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	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[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	118.3580	0.000	1	118.3580	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	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[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	116.9100	0.000	1	116.9100	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CHH)	C[6a](C[6a]C[6a]C)2(CC[6a]C)	C[6a](C[6a]C[6a]C)2(CC[6a]C)	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[6a](C[6a]C[6a]C)2(CC[6a]C){1|C<3>,2|H<1>}	119.4070	0.000	1	119.4070	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CHH)	C[6a](C[6a]C[6a]C)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.9180	0.000	1	117.9180	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.2685	0.921	4	117.2685	0.848	4	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	118.3840	0.000	1	118.3840	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	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[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<4>,2|C<3>}	118.4168	2.322	5	118.4168	5.390	5	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CHH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|O<2>}	118.4920	0.000	1	118.9953	0.232	3	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CHH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	119.2470	0.290	2	118.9953	0.232	3	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CHH)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]C)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.9740	0.000	1	116.9740	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CHH)	C[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	118.5910	0.000	1	118.5910	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CHI)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.2220	0.000	1	116.2220	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CHN)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.5882	0.601	10	117.5882	0.361	10	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CHO)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	118.6100	0.000	1	118.6100	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CHS)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.2780	0.000	1	116.2780	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CNN)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	118.1200	0.000	1	118.1200	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CN[3]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.7590	0.000	1	117.7590	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CN[5]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|H<1>,2|C<3>}	117.9650	0.000	1	117.9650	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CN[5a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	118.1320	0.000	1	118.1320	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CN[5a]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.0765	0.736	2	117.0765	0.542	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CN[6]H)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.2640	0.419	2	117.2640	0.175	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CNiO)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CNiO)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.8420	0.000	1	117.8420	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(COsH)	C[6a](C[6a]C[6a]Cl)2(CC[6a]C)	C[6a](C[6a]C[6a]Cl)2(CC[6a]C)	C(C[6a]C[6a]2)2(COsH)	C[6a](C[6a]C[6a]Cl)2(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]C){1|C<3>,2|H<1>}	117.1810	0.000	1	117.1810	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(COsH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(COsH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.1020	2.752	2	114.1020	7.574	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CPP)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	112.2850	1.566	2	112.2850	2.451	2	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CPdC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CPdC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.9690	0.000	1	115.9690	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CPdC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CPdC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	115.9080	0.000	1	115.9080	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CPdH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CPdH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	118.5620	0.000	1	118.5620	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CRhC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CRhC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.7600	0.000	1	116.7600	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CRuC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CRuC)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	118.1209	1.632	8	118.1209	2.664	8	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CRuH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]C)	C(C[6a]C[6a]2)2(CRuH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,2|H<1>}	116.1200	0.000	1	116.1200	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CRuH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CRuH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.7890	0.000	1	114.7890	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CSbO)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CSbO)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.1690	0.000	1	116.1690	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CSiC)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	114.9380	0.000	1	114.9380	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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(CSiH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	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[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.3550	0.000	1	117.3550	0.000	1	115.5591	3.117	981	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[3]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3: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[6a](C[6a]C[6a]H)2(CC[6a]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]){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[3]){1|C<3>,2|H<1>}	118.6395	0.346	2	118.6395	0.120	2	118.6395	0.120	2	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a]-3:C[6a]-3: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[6a](C[6a]C[6a]H)2(CC[6a]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]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[3]){1|C<3>,2|H<1>}	118.2850	0.000	1	118.2850	0.000	1	118.1242	0.951	9	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a]-3:C[6a]-3: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[6a](C[6a]C[6a]H)2(CC[6a]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]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[3]){1|C<3>,2|H<1>}	119.2210	0.000	1	119.2210	0.000	1	118.1242	0.951	9	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a]-3:C[6a]-3: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[6a](C[6a]C[6a]H)2(CC[6a]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]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[3]){1|C<3>,2|H<1>}	117.7905	0.337	2	117.7905	0.114	2	118.1242	0.951	9	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a]-3:C[6a]-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[6a](C[6a]C[6a]H)2(CC[6a]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]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[3]){1|C<3>,2|H<1>}	119.0220	0.000	1	118.8307	0.422	3	118.1242	0.951	9	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a]-3:C[6a]-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[6a](C[6a]C[6a]H)2(CC[6a]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]){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[3]){1|N<2>,2|H<1>}	118.7350	0.888	2	118.8307	0.422	3	118.1242	0.951	9	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	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[6a]-3:C[6a]-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[6a](C[6a]C[6a]H)2(CC[6a]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]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[3]){1|C<3>,2|H<1>}	116.7695	0.183	2	116.7695	0.034	2	118.1242	0.951	9	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(C[4]C[4]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[4])	C[6a](C[6a]C[6a]H)2(CC[6a]C[4])	C(C[6a]C[6a]2)2(C[4]C[4]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[4]){1|C<3>,2|H<1>}	116.9686	1.254	9	116.9686	1.573	9	116.9686	1.573	9	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C(C[6a]C[6a,6a]2)2(C[5]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]C[5])	C(C[6a]C[6a,6a]2)2(C[5]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]C[5]){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]C[5]){2|H<1>,5|C<3>}	119.5580	0.000	1	119.5580	0.000	1	119.5580	0.000	1	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])2(C[5]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C[5])	C(C[6a]C[6a,6a]C[6a])2(C[5]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C[5]){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C[5]){2|H<1>,3|C<3>}	113.7690	0.000	1	113.7690	0.000	1	113.7690	0.000	1	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	116.5535	0.573	2	116.5535	0.329	2	116.2217	3.884	29	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	115.7060	1.542	24	115.7060	2.376	24	116.2217	3.884	29	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(C[5]O[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C(C[6a]C[6a]2)2(C[5]O[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	120.1257	0.848	3	120.1257	0.719	3	116.2217	3.884	29	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CC[6a]C[6])	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CC[6a]C[6]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	114.7130	0.000	1	114.7130	0.000	1	115.8271	1.763	31	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6])	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	116.7820	0.000	1	116.7820	0.000	1	115.8271	1.763	31	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	115.8326	1.346	29	115.8326	1.812	29	115.8271	1.763	31	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[4a,6a]-3:C[4a,6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[4a,6a]2)(C[6a]C[6a]2)2	C[6a](C[4a,6a]C[4a,6a]C[4a])2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]2)	C(C[6a]C[4a,6a]2)(C[6a]C[6a]2)2	C[6a](C[4a,6a]C[4a,6a]C[4a])2(CC[6a]2){1|C<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2){1|C<3>,2|H<1>}	121.5825	1.585	4	121.5825	2.512	4	121.5825	2.512	4	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C(C[6a]C[5,6a]2)3	C[6a](C[5,6a]C[5,6a]S[5])2(CC[6a]2)	C[6a](C[5,6a]C[5,6a]S[5])2(CC[6a]2)	C(C[6a]C[5,6a]2)3	C[6a](C[5,6a]C[5,6a]S[5])2(CC[6a]2){1|C<3>,2|C<4>,2|S<2>}	C[6a](C[5,6a]C[5,6a]S[5])2(CC[6a]2){1|C<3>,2|C<4>,2|S<2>}	119.9937	0.073	3	119.9937	0.005	3	119.9937	0.005	3	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]2)	C(C[6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]2){1|H<1>,4|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]2){1|H<1>,4|C<3>}	127.4530	0.414	2	127.4530	0.172	2	127.4530	0.172	2	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]2)	C[6a](C[6a]C[6a]C)2(CC[6a]2)	C(C[6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(CC[6a]2){1|C<3>,2|H<1>}	116.2585	0.782	4	116.2585	0.611	4	116.2585	0.611	4	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-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)(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CC[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2)	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CC[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2){2|H<1>,3|C<3>}	125.0990	6.903	2	125.0990	47.648	2	122.7453	3.991	30	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-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)(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]2)	C[6a](C[6a]C[6a,6a]H)2(CC[6a]2)	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)2(CC[6a]2){3|C<3>}	122.2918	1.035	4	122.2918	1.071	4	122.7453	3.991	30	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-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)(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]2)	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2){1|C<3>,1|H<1>,1|O<2>}	122.0365	2.296	2	122.6247	2.288	24	122.7453	3.991	30	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-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)(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]2)	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2){1|C<3>,2|H<1>}	122.6782	1.490	22	122.6247	2.288	24	122.7453	3.991	30	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]2)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]2){1|H<1>,4|C<3>}	114.7684	1.001	18	114.7684	1.001	18	114.7684	1.001	18	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]2)	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]2){2|H<1>,5|C<3>}	124.8790	0.724	2	124.8790	0.524	2	121.9962	13.201	12	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]2)	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]2){2|H<1>,5|C<3>}	121.4197	3.723	10	121.4197	13.860	10	121.9962	13.201	12	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[4a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]2)	C(C[6a]C[4a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2){1|C<3>,2|H<1>}	116.8185	0.316	2	116.8185	0.100	2	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)2(CC[6a]2)	C[6a](C[6a]C[6a,6a]H)2(CC[6a]2)	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)2(CC[6a]2){3|C<3>}	C[6a](C[6a]C[6a,6a]H)2(CC[6a]2){3|C<3>}	115.0945	0.554	2	115.0945	0.307	2	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2)	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]2){2|H<1>,3|C<3>}	109.3620	1.236	2	109.3620	1.528	2	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2)	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2){1|C<3>,2|H<1>}	116.7142	7.986	5	116.7142	63.779	5	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]2)	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]2){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CC[6a]2){1|C<3>,1|H<1>,1|O<2>}	115.6440	0.000	1	114.1220	2.858	13	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]2)	C(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2){1|C<3>,2|H<1>}	113.9952	1.700	12	114.1220	2.858	13	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2)	C(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2){1|C<3>,2|H<1>}	130.6220	0.259	2	130.6220	0.067	2	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CC[6a]2)	C[6a](C[6a]C[6a]C)2(CC[6a]2)	C(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(CC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(CC[6a]2){1|C<3>,2|H<1>}	114.7340	2.230	2	114.7340	4.974	2	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]C)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]2)	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]Cl)(C[6a]C[6a]C)(CC[6a]2){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]2){1|C<3>,2|H<1>}	114.0420	2.377	4	114.0420	5.650	4	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CC[6a]2)	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CC[6a]2)	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CC[6a]2){1|C<3>,2|H<1>}	129.3200	0.000	1	129.3200	0.000	1	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2)	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(CC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2){1|C<3>,2|H<1>}	115.3335	0.384	2	115.3335	0.147	2	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2)	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2){1|C<3>,2|H<1>}	114.7240	0.000	1	114.7240	0.000	1	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2)	C[6a](C[6a]C[6a]C)2(CC[6a]2)	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(CC[6a]2){1|C<3>,2|H<1>}	114.6385	1.974	2	114.6385	3.895	2	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]2)	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2){1|C<3>,2|H<1>}	122.6190	0.000	1	122.6190	0.000	1	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]2)	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)2(CC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2){1|C<3>,2|H<1>}	119.6268	2.535	6	119.6268	6.425	6	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Cl)2(CC[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[6a]2)	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Cl)2(CC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]2){1|C<3>,2|H<1>}	119.5430	0.000	1	119.9437	1.193	10	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Cl)2(CC[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[6a]2)	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Cl)2(CC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]2){1|N<2>,2|H<1>}	120.5905	0.646	2	119.9437	1.193	10	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Cl)2(CC[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[6a]2)	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Cl)2(CC[6a]2){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]2){1|N<2>,2|H<1>}	118.8100	0.000	1	119.9437	1.193	10	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Cl)2(CC[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[6a]2)	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Cl)2(CC[6a]2){2|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]2){2|Cl<1>,1|C<3>}	119.9838	1.267	6	119.9437	1.193	10	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Cl)2(CC[6a]2)	C[6a](C[6a]C[6a]F)2(CC[6a]2)	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Cl)2(CC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]F)2(CC[6a]2){1|N<2>,2|H<1>}	120.0995	2.659	2	120.0995	7.073	2	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2)	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]2){1|C<3>,2|C<4>}	119.7227	2.321	3	119.7227	5.386	3	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]2)	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2){1|C<3>,2|H<1>}	117.4075	0.234	2	117.4075	0.055	2	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]2)	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(CC[6a]2){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]2){1|C<3>,2|C<4>}	111.8600	0.000	1	119.6702	4.350	102	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]2)	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(CC[6a]2){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]2){1|C<3>,2|H<1>}	117.8262	4.916	6	119.6702	4.350	102	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]2)	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(CC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2){1|C<3>,2|H<1>}	119.8688	1.576	95	119.6702	4.350	102	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(CC[6a]2)	C[6a](C[6a]C[6a]O)2(CC[6a]2)	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(CC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)2(CC[6a]2){1|C<3>,2|O<1>}	121.5045	1.136	2	121.5045	1.291	2	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]2)	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]2){1|C<3>,2|H<1>}	116.2575	0.052	2	116.2575	0.003	2	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CC[6a]2)	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CC[6a]2)	C(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CC[6a]2){1|C<3>,2|H<1>}	127.4830	0.000	1	127.4830	0.000	1	118.8399	12.792	169	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	121.9410	0.000	1	121.9113	0.348	3	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	121.8965	0.834	2	121.9113	0.348	3	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NCH)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.1580	0.177	2	118.1580	0.031	2	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.7120	0.000	1	118.7120	0.000	1	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NCO)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NCO)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.1813	0.393	4	118.1813	0.155	4	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NC[3]Ni)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[3]Ni)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.8490	0.000	1	117.8490	0.000	1	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NC[3]O)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[3]O)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.7590	0.000	1	118.7590	0.000	1	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NC[6]Ni)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6]Ni)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.9670	1.945	2	117.4665	1.730	4	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NC[6]Ni)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6]Ni)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	116.9660	0.638	2	117.4665	1.730	4	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NC[6a]Co)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6a]Co)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.7920	0.000	1	117.7920	0.000	1	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NC[6a]Co)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6a]Co)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	114.0120	0.258	3	114.0120	0.067	3	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NC[6a]Ni)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6a]Ni)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.1170	0.000	1	117.1170	0.000	1	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NC[6a]Ni)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6a]Ni)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	115.2195	0.291	2	115.2195	0.084	2	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|C<4>}	119.6010	0.000	1	119.6010	0.000	1	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NC[6a]Pd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6a]Pd)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	114.6897	0.776	3	114.6897	0.603	3	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NC[6a]Pd)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6a]Pd)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.1150	0.000	1	117.1150	0.000	1	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NC[6a]Pd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6a]Pd)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	120.9320	0.750	3	120.9320	0.562	3	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NC[6a]Rh)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6a]Rh)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	116.0730	0.000	1	116.0730	0.000	1	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NC[6a]Rh)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NC[6a]Rh)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	120.4290	0.000	1	120.4290	0.000	1	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NCoC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C(C[6a]C[6a]2)2(NCoC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	120.2350	0.000	1	120.2350	0.000	1	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NCoC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NCoC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.0345	1.186	2	117.0345	1.406	2	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NCuC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NCuC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.7916	0.515	5	117.7916	0.265	5	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NCuC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NCuC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	116.4775	0.506	2	116.4775	0.256	2	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NCuH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NCuH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.4700	1.257	3	117.4700	1.581	3	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NCuN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NCuN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.0685	0.460	2	118.0685	0.212	2	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NFeC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NFeC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	121.5350	3.970	2	118.0515	2.779	19	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NFeC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NFeC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.8072	0.986	6	118.0515	2.779	19	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NFeC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NFeC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.6770	0.459	7	118.0515	2.779	19	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NFeC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NFeC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.3315	0.391	4	118.0515	2.779	19	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NFeC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NFeC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	116.3157	0.734	8	116.3157	0.539	8	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NFeH)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]F)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NFeH)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]F)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	127.7970	0.000	1	127.7970	0.000	1	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NFeH)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]N)	C(C[6a]C[6a]2)2(NFeH)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|H<1>}	124.4460	0.209	2	124.4460	0.044	2	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NFeH)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]F)2(CC[6a]N)	C(C[6a]C[6a]2)2(NFeH)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]F)2(CC[6a]N){1|C<3>,2|H<1>}	123.4370	1.684	2	123.4370	2.837	2	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NFeH)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NFeH)	C[6a](C[6a]C[6a]Fe)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	124.8320	0.964	2	124.8320	0.930	2	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NFeN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NFeN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	122.8575	0.450	2	122.8575	0.203	2	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NFeO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NFeO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.8143	1.452	8	118.8143	2.110	8	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NHH)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NHH)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	121.7890	0.000	1	121.7890	0.000	1	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NHN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NHN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	119.5430	0.000	1	119.5430	0.000	1	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NLiC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NLiC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	116.5805	0.305	2	116.5805	0.093	2	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NMgC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NMgC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	116.6590	0.000	1	116.9010	0.117	2	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NMgC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NMgC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.1430	0.000	1	116.9010	0.117	2	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NNU)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NNU)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.6170	0.235	2	118.6170	0.055	2	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NNi2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]F)2(CC[6a]N)	C(C[6a]C[6a]2)2(NNi2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]F)2(CC[6a]N){1|C<3>,2|H<1>}	117.2680	0.055	2	117.2680	0.003	2	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NNi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NNi2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.4425	1.187	8	118.4425	1.408	8	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NNiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NNiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.3741	1.564	40	117.4908	2.211	47	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NNiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NNiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.1580	0.656	7	117.4908	2.211	47	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NNiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C(C[6a]C[6a]2)2(NNiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	117.6164	1.106	10	117.6164	1.224	10	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NNiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NNiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.9126	0.952	12	118.0482	0.886	14	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NNiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NNiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.8620	0.076	2	118.0482	0.886	14	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NNiC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NNiC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	114.2604	1.313	12	114.2604	1.724	12	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NNiH)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NNiH)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	119.2855	2.036	2	119.2855	4.144	2	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NNiN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NNiN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.1815	1.568	2	118.1815	2.458	2	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NOO)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NOO)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	120.3120	0.000	1	120.3120	0.000	1	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NOs2)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NOs2)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	108.1610	0.182	2	108.1610	0.033	2	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NOsH)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NOsH)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.2440	0.000	1	117.2440	0.000	1	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NOsH)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NOsH)	C[6a](C[6a]C[6a]Os)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	126.6330	0.000	1	126.6330	0.000	1	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NPdC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N)	C(C[6a]C[6a]2)2(NPdC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]N){1|C<3>,2|H<1>}	122.8960	0.093	2	122.8960	0.009	2	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NPdC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NPdC)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	120.9694	1.047	5	120.9694	1.097	5	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NPdN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NPdN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.3140	0.623	5	118.3140	0.389	5	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NPtH)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NPtH)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	119.5393	0.967	3	119.5393	0.934	3	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NPtH)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NPtH)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	124.6665	0.397	2	124.6665	0.157	2	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NReC)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NReC)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	117.0272	0.978	9	117.0272	0.957	9	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NReH)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NReH)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.7780	0.000	1	118.7780	0.000	1	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NRhC)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NRhC)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	123.1280	0.000	1	123.1280	0.000	1	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NRu2)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NRu2)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	121.0840	0.000	1	121.0840	0.000	1	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NRuH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NRuH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	119.2637	1.737	3	119.2637	3.017	3	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NRuH)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NRuH)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	118.6337	0.688	3	118.6337	0.473	3	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NRuH)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NRuH)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	124.1380	0.000	1	124.1380	0.000	1	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NRuN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NRuN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	115.2710	0.000	1	115.2710	0.000	1	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(NThN)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CC[6a]N)	C(C[6a]C[6a]2)2(NThN)	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N){1|C<3>,2|H<1>}	115.1830	0.690	2	115.1830	0.476	2	118.0502	6.914	241	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]P)	C[6a](C[6a]C[6a]H)2(CC[6a]P)	C(C[6a]C[6a]2)2(PC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]P){1|C<3>,2|H<1>}	118.5690	0.000	1	118.5690	0.000	1	118.5690	0.000	1	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(N[5]B[5,5a]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]N[5])	C[6a](C[6a]C[6a]H)2(CC[6a]N[5])	C(N[5]B[5,5a]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]N[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N[5]){1|C<3>,2|H<1>}	116.6020	0.098	2	116.6020	0.010	2	117.2106	0.742	5	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]N[5])	C[6a](C[6a]C[6a]H)2(CC[6a]N[5])	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]N[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]N[5]){1|C<3>,2|H<1>}	117.6163	0.929	3	117.6163	0.862	3	117.2106	0.742	5	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)2(CC[6a]N[5a])	C[6a](C[6a]C[6a]Cl)2(CC[6a]N[5a])	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)2(CC[6a]N[5a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(CC[6a]N[5a]){1|C<3>,2|H<1>}	123.1480	0.000	1	123.1480	0.000	1	123.1480	0.000	1	116.4966	7.295	1727	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(CC[5]2Zr)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[5]2Zr)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.1350	0.000	2	117.1350	0.000	2	117.4140	10.688	9	117.4140	10.688	9	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(CC[5]OY)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[5]OY)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.4145	0.859	2	116.4145	0.738	2	117.4140	10.688	9	117.4140	10.688	9	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(CC[6a]RhH)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]RhH)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.5830	0.000	1	117.5830	0.000	1	117.4140	10.688	9	117.4140	10.688	9	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C)	C(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C){1|C<3>,1|C<4>,1|H<1>}	112.8500	0.000	1	112.8500	0.000	1	117.4140	10.688	9	117.4140	10.688	9	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(CNiCO)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CNiCO)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	117.5320	0.000	1	117.5320	0.000	1	117.4140	10.688	9	117.4140	10.688	9	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(CSiHH)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CSiHH)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	125.2120	0.000	1	125.2120	0.000	1	117.4140	10.688	9	117.4140	10.688	9	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(CTiNO)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6a]C)	C(C[6a]C[6a]2)2(CTiNO)	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.4500	0.000	1	116.4500	0.000	1	117.4140	10.688	9	117.4140	10.688	9	117.9629	9.091	3105	117.9629	9.091	3105
930	643	643	0:SP2_SP2_SP2	C	C[6a]	C[6a]	4:3:3:	3:3:3:	3:3:3:	C[3,3]-4:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C(C[3,3]Nb[3,3,6]N[3]O[3])(C[6a]C[6a]2)2	C[6a](CC[3,3]C[6a])(C[6a]C[6a]H)2	C[6a](CC[3,3]C[6a])(C[6a]C[6a]H)2	C(C[3,3]Nb[3,3,6]N[3]O[3])(C[6a]C[6a]2)2	C[6a](CC[3,3]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](CC[3,3]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	117.4675	0.573	2	117.4675	0.329	2	117.4675	0.329	2	117.4675	0.329	2	117.9629	9.091	3105	117.9629	9.091	3105
930	643	670	0:SP2_SP2_SP2	C	C[6a]	Ge	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:Ge-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:P-4:	C(C[6a]C[6a]2)(CSiH)(GeCP)	C[6a](C[6a]C[6a]H)2(CGeC)	Ge(CC[6a]C)2(PC3)	C(C[6a]C[6a]2)(CSiH)(GeCP)	C[6a](C[6a]C[6a]H)2(CGeC){1|C<3>,2|H<1>}	Ge(CC[6a]C)2(PC3)	121.5465	2.774	2	121.5465	7.695	2	121.5465	7.695	2	121.5465	7.695	2	123.7730	18.719	3	123.7730	18.719	3
930	643	670	0:SP2_SP2_SP2	C	C[6a]	Ge	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:Ge-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Si-4:P-4:	C(C[6a]C[6a]2)(GeSiP)(CSiH)	C[6a](C[6a]C[6a]H)2(CGeC)	Ge(CC[6a]C)(SiSi3)(PC3)	C(C[6a]C[6a]2)(GeSiP)(CSiH)	C[6a](C[6a]C[6a]H)2(CGeC){1|C<3>,2|H<1>}	Ge(CC[6a]C)(SiSi3)(PC3)	128.2260	0.000	1	128.2260	0.000	1	128.2260	0.000	1	128.2260	0.000	1	123.7730	18.719	3	123.7730	18.719	3
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	2:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	S[6a]-2:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]S[6a])(O)	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(CC[5a]O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]S[6a])(O)	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(CC[5a]O){5|B<6>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O){2|H<1>}	119.8720	0.000	1	119.8720	0.000	1	119.8720	0.000	1	119.8720	0.000	1	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:2:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[5a,6a]-3:N[5a]-2:C-3:	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O){1|H<1>,3|C<3>}	120.3320	0.000	1	120.3320	0.000	1	120.3320	0.000	1	120.0530	0.156	2	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:2:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O)	C[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])(CC[6a]O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])(CC[6a]O){1|C<4>,3|C<3>}	119.7740	0.000	1	119.7740	0.000	1	119.7740	0.000	1	120.0530	0.156	2	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[5a,6a]-3:N[6a]-2:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[5a,6a]N[6a])(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[5a,6a]N[6a])(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[5a]O){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O){2|C<3>,2|H<1>}	122.9850	0.000	1	122.9850	0.000	1	122.9850	0.000	1	121.3537	2.554	3	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){2|C<3>,2|H<1>}	121.2850	0.000	1	121.2850	0.000	1	121.2850	0.000	1	121.3537	2.554	3	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[5a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[6a]C[6a]N[6a])(C[5a]C[5a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[5a]C[5a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(CC[6a]O){1|N<2>,3|C<3>}	119.7910	0.000	1	119.7910	0.000	1	119.7910	0.000	1	121.3537	2.554	3	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-2:N[5a]-2:C-3:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]O)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(N[5a]O[5a])(CC[6a]O){1|C<3>}	121.5440	0.000	1	121.5440	0.000	1	121.5440	0.000	1	119.1072	5.675	10	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-2:O[5a]-2:C-3:	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]O)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]O)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]O){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]O){2|C<3>}	121.5480	0.000	1	121.5480	0.000	1	121.4373	0.020	3	119.1072	5.675	10	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-2:O[5a]-2:C-3:	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[6a]O)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[6a]O){2|C<3>}	121.3820	0.148	2	121.3820	0.022	2	121.4373	0.020	3	119.1072	5.675	10	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-2:S[5a]-2:C-3:	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O)	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(CC[6a]O)	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a,6])(S[5a]C[5a,6])(CC[6a]O){1|C<3>,1|C<4>}	116.7260	1.404	4	116.7260	1.971	4	117.5360	2.799	6	119.1072	5.675	10	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-2:S[5a]-2:C-3:	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(CC[6a]O)	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,5a])(S[5a]C[5a,5a])(CC[6a]O){1|C<3>,1|S<2>}	118.8330	0.000	1	118.8330	0.000	1	117.5360	2.799	6	119.1072	5.675	10	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-2:S[5a]-2:C-3:	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[6a]O)	C(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(CC[6a]O){2|C<3>}	119.4790	0.000	1	119.4790	0.000	1	117.5360	2.799	6	119.1072	5.675	10	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:O[5a]-2:C-3:	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]H)	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]H){1|H<1>,1|N<2>,2|C<3>}	130.8530	0.000	1	130.6287	1.739	9	130.6528	1.552	10	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:O[5a]-2:C-3:	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]H)	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]H){1|H<1>,3|C<3>}	130.6006	1.407	8	130.6287	1.739	9	130.6528	1.552	10	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:O[5a]-2:C-3:	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(CC[6a]H)	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(CC[6a]H){1|O<2>,2|C<3>}	130.8700	0.000	1	130.8700	0.000	1	130.6528	1.552	10	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:S[5a]-2:C-3:	C(C[5a]C[5a,6a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(CC[6a]H)	C(C[5a]C[5a,6a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(S[5a]C[5a,6a])(CC[6a]H){1|H<1>,3|C<3>}	132.2083	0.290	3	132.2083	0.084	3	132.0418	0.167	4	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:S[5a]-2:C-3:	C(C[5a]C[5a,6a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CC[6a]H)	C(C[5a]C[5a,6a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a])(CC[6a]H){1|H<1>,1|S<1>,2|C<3>}	131.5420	0.000	1	131.5420	0.000	1	132.0418	0.167	4	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]H)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[6a]H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[6a]H){1|C<3>,1|N<3>}	127.7060	0.000	1	127.7060	0.000	1	129.2537	1.493	4	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a]N[5a]H)(O[5a]B[5a])(CC[6a]H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(O[5a]B[5a])(CC[6a]H){1|C<4>,2|F<1>}	130.2320	0.033	2	130.2320	0.001	2	129.2537	1.493	4	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a]N[5a]N)(O[5a]C[5a])(CC[6a]H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]N)(O[5a]C[5a])(CC[6a]H){1|C<4>,1|O<1>}	128.8450	0.000	1	128.8450	0.000	1	129.2537	1.493	4	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5a]H)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5a]H){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H){1|C<4>,1|N<2>}	130.4610	0.000	1	130.4610	0.000	1	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[5a]H)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CC[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|C<4>,1|S<1>}	131.8910	0.000	1	131.8910	0.000	1	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]H)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H){1|C<4>,1|N<2>}	129.8150	0.000	1	129.8150	0.000	1	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]H)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H){1|C<4>,1|N<2>}	131.7470	0.000	1	131.7470	0.000	1	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]H)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|C<3>,1|S<1>}	130.4790	0.000	1	130.4790	0.000	1	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]H)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H){1|C<4>,1|N<2>}	131.1870	0.750	3	131.1870	0.562	3	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]H)	C[5a](C[5a]N[5a,5a]O)(S[5a]C[5a,5a])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a,5a]O)(S[5a]C[5a,5a])(CC[6a]H){2|N<2>}	128.4860	0.000	1	128.4860	0.000	1	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]H)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H){1|C<4>,1|N<2>}	129.3733	1.026	4	129.3733	1.053	4	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]H)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|H<1>,1|S<1>}	129.2550	0.000	1	129.2550	0.000	1	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]H)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]H){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){2|C<3>}	127.0150	0.000	1	127.0150	0.000	1	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]H)	C[5a](C[5a]N[5a,5a]O)(S[5a]C[5a,5a])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]H){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a]N[5a,5a]O)(S[5a]C[5a,5a])(CC[6a]H){2|N<2>}	131.0960	0.000	1	131.0960	0.000	1	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]H)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H){1|C<4>,1|N<2>}	131.0050	0.000	1	131.0050	0.000	1	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]H)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|C<3>,1|S<1>}	130.3430	0.359	2	130.6293	0.310	3	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]H)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]H){2|Br<1>,1|C<3>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|H<1>,1|S<1>}	131.2020	0.000	1	130.6293	0.310	3	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]H){1|C<3>,1|S<2>}	132.6175	0.370	2	132.6175	0.137	2	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC[6a]H){1|N<2>,3|C<3>}	130.3330	0.000	1	130.3330	0.000	1	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a]N[5a,5a]O)(S[5a]C[5a,5a])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a,5a]O)(S[5a]C[5a,5a])(CC[6a]H){1|C<3>,1|N<2>}	131.5065	0.859	2	131.4263	0.388	3	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a]N[5a,5a]O)(S[5a]C[5a,5a])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a,5a]O)(S[5a]C[5a,5a])(CC[6a]H){2|N<2>}	131.2660	0.000	1	131.4263	0.388	3	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H){1|C<4>,1|N<2>}	131.4810	0.000	1	130.6122	1.193	12	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H){1|C<4>,1|N<2>}	130.8938	0.590	6	130.6122	1.193	12	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H){1|C<4>,1|N<3>}	129.8890	0.000	1	130.6122	1.193	12	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H){1|N<2>,1|N<3>}	129.4250	2.383	2	130.6122	1.193	12	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|O<2>}	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H){1|C<4>,1|N<2>}	131.5860	0.000	1	130.6122	1.193	12	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H){1|C<4>,1|N<2>}	130.1780	0.000	1	130.6122	1.193	12	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|Br<1>,1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|C<4>,1|S<1>}	130.5020	0.000	1	130.8133	0.882	21	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|C<4>,1|N<2>}	133.5460	0.000	1	130.8133	0.882	21	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|C<4>,1|S<1>}	130.6650	0.000	1	130.8133	0.882	21	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|C<3>,1|N<2>}	129.9373	0.405	3	130.8133	0.882	21	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|C<3>,1|S<1>}	130.5390	0.000	1	130.8133	0.882	21	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|C<4>,1|S<1>}	130.4460	1.189	3	130.8133	0.882	21	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|H<1>,1|N<2>}	131.8420	0.000	1	130.8133	0.882	21	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|H<1>,1|S<1>}	130.8725	0.627	8	130.8133	0.882	21	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|O<2>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){1|H<1>,1|S<1>}	130.9280	0.492	2	130.8133	0.882	21	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[5a]H)	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[5a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[5a](C[5a]N[5a]O)(S[5a]C[5a])(CC[6a]H){2|C<3>}	128.0320	0.000	1	128.0320	0.000	1	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(CC[5a]H)	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6]O)(S[5a]C[5a,6])(CC[6a]H){1|C<4>,1|N<2>}	137.5310	0.000	1	137.5310	0.000	1	130.7218	2.196	61	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(CC[5a]H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a]H)(CC[5a]H){1|C<3>,1|H<1>,1|O<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]H){2|H<1>}	131.4930	0.000	1	131.4930	0.000	1	131.4930	0.000	1	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:O[5a]-2:C-3:	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5a]I)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]I)	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5a]I){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]I){1|H<1>,1|N<2>,2|C<3>}	125.3150	1.055	2	125.3150	1.113	2	125.3150	1.113	2	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5a]-3:N[5a]-2:C-3:	C(C[5a]C[5,5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5,5a]C[5,6a]N[5,5a])(N[5a]N[5a])(CC[6a]O)	C(C[5a]C[5,5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5,5a]C[5,6a]N[5,5a])(N[5a]N[5a])(CC[6a]O){1|C<4>,2|C<3>}	121.7775	0.715	4	121.7775	0.512	4	121.7775	0.512	4	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6]-3:N[5a]-2:C-3:	C(C[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a])(CC[6a]O)	C(C[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a])(CC[6a]O){1|H<1>,2|C<4>}	124.0050	0.000	1	121.5380	12.172	2	121.5380	12.172	2	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6]-3:N[5a]-2:C-3:	C(C[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a])(CC[6a]O)	C(C[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6]N[5a,6]N[6])(N[5a]N[5a])(CC[6a]O){3|C<4>}	119.0710	0.000	1	121.5380	12.172	2	121.5380	12.172	2	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6]-3:O[5a]-2:C-3:	C(C[5a]C[5a,6]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a,6]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	123.2110	0.000	1	123.2110	0.000	1	123.2110	0.000	1	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-2:C-3:	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]O)	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]O){2|C<3>,2|H<1>}	118.7765	0.805	2	118.7765	0.649	2	118.7765	0.649	2	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:O[5a]-2:C-3:	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(CC[6a]O)	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(CC[6a]O){1|H<1>,2|C<3>}	123.7700	0.000	1	123.7700	0.000	1	123.7700	0.000	1	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O){1|C<3>,2|F<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]O){3|C<3>}	120.2480	0.000	1	120.2480	0.000	1	121.0375	3.609	46	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]O){1|C<3>,1|H<1>}	122.3090	0.000	1	122.3090	0.000	1	121.0375	3.609	46	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]O){1|H<1>}	122.5890	0.000	1	123.0605	0.377	4	121.0375	3.609	46	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]O){1|H<1>}	123.4320	0.000	1	123.0605	0.377	4	121.0375	3.609	46	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]O){1|H<1>}	123.7290	0.000	1	123.0605	0.377	4	121.0375	3.609	46	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|Cl<1>,1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]O){1|H<1>}	122.4920	0.000	1	123.0605	0.377	4	121.0375	3.609	46	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]O){1|H<1>,1|P<4>,2|C<3>}	122.2120	0.000	1	121.2725	1.765	2	121.0375	3.609	46	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]O){1|H<1>,3|C<3>}	120.3330	0.000	1	121.2725	1.765	2	121.0375	3.609	46	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC[6a]O){1|C<3>}	123.8130	0.000	1	122.1687	3.493	3	121.0375	3.609	46	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(CC[6a]O){1|C<4>}	121.3465	1.712	2	122.1687	3.493	3	121.0375	3.609	46	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]O){1|C<3>,1|H<1>}	122.7370	0.000	1	122.7370	0.000	1	121.0375	3.609	46	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]O){1|C<4>,3|C<3>}	121.0260	0.000	1	120.9160	0.024	2	121.0375	3.609	46	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]O){1|H<1>,1|S<2>,2|C<3>}	120.8060	0.000	1	120.9160	0.024	2	121.0375	3.609	46	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]O){1|C<4>,2|C<3>}	121.6390	1.580	4	119.8499	2.764	13	121.0375	3.609	46	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]O){3|C<3>}	119.0548	0.948	9	119.8499	2.764	13	121.0375	3.609	46	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(CC[6a]O){2|C<3>}	117.9720	0.000	1	117.9720	0.000	1	121.0375	3.609	46	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(CC[6a]O){4|C<3>}	119.7072	1.992	5	119.7072	3.968	5	121.0375	3.609	46	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|O<2>}	121.7330	0.000	1	121.7330	0.000	1	121.0375	3.609	46	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]O){1|C<3>}	122.4340	0.000	2	122.4340	0.000	2	121.0375	3.609	46	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]O){1|C<3>}	122.4410	0.000	1	122.7390	0.138	3	121.0375	3.609	46	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]O){1|C<4>}	122.8880	0.378	2	122.7390	0.138	3	121.0375	3.609	46	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]N[5a]Si)(N[5a]N[5a])(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]Si)(N[5a]N[5a])(CC[6a]O){1|C<3>}	123.9680	0.000	1	123.9680	0.000	1	121.0375	3.609	46	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]S[5a]O)(N[5a]S[5a])(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]S[5a]O)(N[5a]S[5a])(CC[6a]O)	119.7465	0.506	4	119.7465	0.256	4	121.0375	3.609	46	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]S[5a]S)(N[5a]N[5a])(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]S[5a]S)(N[5a]N[5a])(CC[6a]O)	123.4885	0.175	2	123.4885	0.031	2	121.0375	3.609	46	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]O)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]O){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]O){2|C<3>}	124.3320	0.960	2	124.3320	0.922	2	121.9540	9.558	25	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CC[6a]O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CC[6a]O){1|H<1>}	119.4150	0.000	1	119.4150	0.000	1	121.9540	9.558	25	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]O){4|C<3>}	125.2790	0.000	1	123.4630	6.596	2	121.9540	9.558	25	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]O){4|C<3>}	121.6470	0.000	1	123.4630	6.596	2	121.9540	9.558	25	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O){1|C<3>,1|N<3>}	121.3465	1.382	2	121.3465	1.911	2	121.9540	9.558	25	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[6a]O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[6a]O){2|C<3>}	124.4870	0.000	1	124.4870	0.000	1	121.9540	9.558	25	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]O){4|C<3>}	121.5080	0.000	1	121.5080	0.000	1	121.9540	9.558	25	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]O){2|C<3>}	118.9045	0.228	2	118.9045	0.052	2	121.9540	9.558	25	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]O){2|C<3>}	120.2970	0.000	1	120.2970	0.000	1	121.9540	9.558	25	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(CC[6a]O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(CC[6a]O){2|C<3>}	125.3483	0.667	6	125.3483	0.444	6	121.9540	9.558	25	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O){1|C<3>,1|C<4>}	118.7090	0.000	1	120.1047	8.135	4	121.9540	9.558	25	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O){1|C<3>,1|S<2>}	120.5700	3.302	3	120.1047	8.135	4	121.9540	9.558	25	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC[6a]O){3|C<3>}	119.6970	0.000	1	119.6970	0.000	1	121.9540	9.558	25	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CC[6a]O){1|C<3>}	120.0020	0.000	1	120.0020	0.000	1	121.9540	9.558	25	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CC[5a]O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CC[5a]O){4|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O){2|H<1>}	114.8440	0.000	1	114.8440	0.000	1	121.9540	9.558	25	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CC[5a]O)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CC[5a]O){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]O){1|C<3>,1|S<2>}	116.7200	0.000	1	116.7200	0.000	1	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CC[5a]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(CC[5a]O){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]O){2|H<1>}	119.2960	1.764	4	119.2960	3.111	4	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]O)	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]O){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(CC[6a]O){1|N<3>,3|C<3>}	120.7840	0.000	1	120.7840	0.000	1	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5a]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5a]O){5|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]O){2|H<1>}	117.0490	0.000	1	117.0490	0.000	1	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]O){2|H<1>}	118.4650	0.000	1	118.4650	0.000	1	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]O){1|C<3>,1|S<2>}	120.1927	0.060	3	120.1927	0.004	3	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(CC[6a]O){1|C<3>,1|C<4>}	119.2070	0.000	1	118.5650	0.372	3	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O)	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a,6]H)(S[5a]C[5a,6])(CC[6a]O){2|C<3>}	118.2440	0.354	2	118.5650	0.372	3	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CC[6a]O){2|C<3>}	118.6640	0.532	2	118.6640	0.283	2	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(S[5a]C[5a])(CC[6a]O){1|C<3>}	121.4360	0.000	1	121.4360	0.000	1	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(CC[6a]O){1|N<3>,3|C<3>}	121.9830	0.000	1	121.9830	0.000	1	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]O){1|C<3>,1|N<3>}	119.5010	0.000	1	121.4770	3.559	3	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]O){1|C<3>,1|S<2>}	122.4650	1.123	2	121.4770	3.559	3	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(CC[6a]O){2|C<3>}	121.2797	0.765	3	121.2797	0.585	3	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(CC[6a]O){1|Fe<10>,2|C<3>,2|C<4>}	122.9330	0.000	1	122.9330	0.000	1	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[5a])(S[5a]C[5a,6a])(CC[6a]O){4|C<3>}	120.5410	0.000	1	120.5410	0.000	1	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(CC[6a]O){2|C<3>}	120.8590	0.000	1	120.8590	0.000	1	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(CC[6a]O){1|C<2>,1|N<2>,1|N<3>,1|S<2>}	118.4080	0.000	1	118.4080	0.000	1	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(CC[6a]O){1|H<1>,3|C<3>}	120.6690	0.000	1	120.6690	0.000	1	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]O){1|C<3>,1|H<1>}	120.7087	0.257	3	120.7087	0.066	3	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]H)(S[5a]N[5a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]N[5a])(CC[6a]O){1|S<4>}	120.7060	0.000	1	120.7060	0.000	1	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CC[6a]O){1|C<2>,1|S<2>}	122.2680	0.000	1	121.4920	1.204	2	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(CC[6a]O){1|N<3>,1|S<4>}	120.7160	0.000	1	121.4920	1.204	2	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(CC[6a]O){1|N<3>,2|C<3>}	120.5460	0.000	1	120.5460	0.000	1	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]N[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]O){1|C<3>,1|N<2>}	119.0530	1.031	2	119.0530	1.063	2	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(CC[6a]O){1|N<3>}	119.7843	0.631	3	119.7843	0.398	3	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]N[5a]N)(S[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]N)(S[5a]C[5a])(CC[6a]O){1|N<3>}	120.1010	0.361	2	120.1010	0.130	2	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CC[5a]O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]O)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(CC[5a]O){4|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]O){2|H<1>}	116.9890	0.000	1	116.9890	0.000	1	119.9980	2.421	44	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6]-3:N[5a]-2:C-3:	C(C[5a]N[5a,6]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]O)	C(C[5a]N[5a,6]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	119.7880	0.000	1	119.7880	0.000	1	119.7880	0.000	1	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:N[5a]-2:C-3:	C(C[5a]N[5a,6a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O)	C(C[5a]N[5a,6a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]O){1|H<1>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O){1|H<1>,1|I<1>,2|C<3>}	121.8670	0.000	1	121.8670	0.000	1	121.8670	0.000	1	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:N[5a]-2:C-3:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]O)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,1|H<1>,1|O<2>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){2|H<1>}	117.7240	0.000	1	117.7240	0.000	1	119.8144	2.390	7	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:N[5a]-2:C-3:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]O)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]O){2|C<3>}	119.8645	1.011	4	119.8645	1.023	4	119.8144	2.390	7	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:N[5a]-2:C-3:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|H<1>}	122.3570	0.000	1	122.3570	0.000	1	119.8144	2.390	7	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:N[5a]-2:C-3:	C(C[5a]N[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]O)	C(C[5a]N[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]O){1|H<1>,3|C<3>}	119.1620	0.000	1	119.1620	0.000	1	119.8144	2.390	7	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(S)	C[6a](C[6a]C[6a]H)2(CC[5a]S)	C[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]S)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(S)	C[6a](C[6a]C[6a]H)2(CC[5a]S){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]O)(S[5a]C[5a,6a])(CC[6a]S){2|C<3>}	120.2700	0.204	2	120.2700	0.041	2	120.2700	0.041	2	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]H)	C[5a](C[5a]N[5a,5a]O)(S[5a]C[5a,5a])(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]H){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a,5a]O)(S[5a]C[5a,5a])(CC[6a]H){1|C<3>,1|N<2>}	131.4740	0.000	1	131.4740	0.000	1	131.4740	0.000	1	124.5271	26.476	219	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	132.9860	0.339	2	132.9860	0.115	2	126.9093	71.751	4	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CC[6a]H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CC[6a]H){2|C<3>,2|H<1>}	126.6390	0.000	1	126.6390	0.000	1	126.9093	71.751	4	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[6a]H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[6a]H){1|H<1>,2|C<3>}	115.0260	0.000	1	115.0260	0.000	1	126.9093	71.751	4	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]H)	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]H){1|H<1>,3|C<3>}	132.9655	1.620	2	132.9655	2.624	2	130.1058	11.781	4	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[6a]H)	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[6a]H){1|H<1>,1|N<2>,2|C<3>}	127.2460	0.072	2	127.2460	0.005	2	130.1058	11.781	4	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CC[6a]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]O)(N[5a]C[5a]H)(CC[6a]H){1|C<4>,1|S<1>}	130.6137	0.334	3	130.6137	0.112	3	130.6137	0.112	3	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,5a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]O)(CC[6a]H)	C(C[5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]N[5a]O)(CC[6a]H){1|H<1>,1|N<2>,2|C<3>}	125.1350	0.000	1	125.1350	0.000	1	125.1350	0.000	1	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]H)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]H){2|C<3>,2|H<1>}	133.1950	0.000	1	133.1950	0.000	1	133.1950	0.000	1	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Pd)(CC[5a]H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[6a]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Pd)(CC[5a]H){3|C<3>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[6a]H){1|C<3>,1|C<4>}	128.5170	0.000	1	128.5170	0.000	1	129.1330	10.444	6	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]H){1|N<3>,3|C<3>}	129.5150	0.000	1	129.5150	0.000	1	129.1330	10.444	6	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H)	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(CC[6a]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(CC[6a]H){1|C<4>,1|O<1>,2|C<3>}	132.7565	0.097	2	132.7565	0.009	2	129.1330	10.444	6	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[5a]H)	C[5a](N[5a]C[5a]Pd)(C[5a]O[5a]O)(CC[6a]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]O[5a]O)(CC[6a]H){1|C<3>}	125.6265	0.914	2	125.6265	0.836	2	129.1330	10.444	6	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[6a])(O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[6a])(O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CC[5a]O){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O){2|C<3>,2|H<1>}	117.1750	0.000	1	117.1750	0.000	1	117.1750	0.000	1	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]O){2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	119.0860	0.000	1	119.0860	0.000	1	119.0860	0.000	1	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5a]-3:C[5a]-3:C-3:	C(C[5a]C[5,5a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5,5a]N[5,5a]O[5])(C[5a]N[5a]C)(CC[6a]O)	C(C[5a]C[5,5a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5,5a]N[5,5a]O[5])(C[5a]N[5a]C)(CC[6a]O){1|C<3>,1|C<4>}	118.7450	0.000	1	118.7450	0.000	1	118.7450	0.000	1	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6]-3:C[5a,6]-3:C-3:	C(C[5a]C[5a,6]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(CC[6a]O)	C(C[5a]C[5a,6]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a,6]C[6])(CC[6a]O){1|H<1>,1|O<1>,4|C<3>}	120.1480	1.566	2	120.1480	2.451	2	120.1480	2.451	2	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[5a]O)	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]O[5a]H)(CC[6a]O)	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]O[6])(C[5a]O[5a]H)(CC[6a]O){1|C<3>,1|C<4>}	117.7720	0.000	1	117.7720	0.000	1	119.6353	2.947	18	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]S)(CC[6a]O)	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]S)(CC[6a]O){1|O<1>,2|C<3>}	121.8680	0.000	1	121.8680	0.000	1	119.6353	2.947	18	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(CC[6a]O)	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])(CC[6a]O){1|O<1>,5|C<3>}	118.6245	0.370	2	118.6245	0.137	2	119.6353	2.947	18	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CC[6a]O)	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5a]S[5a]N)(CC[6a]O){2|C<4>,2|H<1>}	120.9386	1.440	7	120.9386	2.074	7	119.6353	2.947	18	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(CC[6a]O)	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(CC[6a]O){1|C<4>,5|C<3>}	118.9920	0.000	1	118.9920	0.000	1	119.6353	2.947	18	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6]C[6,6a]N[5a,6])(C[5a]C[5a]H)(CC[6a]O){1|C<4>,3|C<3>}	118.0827	0.423	3	118.0827	0.179	3	119.6353	2.947	18	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]O)	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	117.9430	0.000	1	117.9430	0.000	1	119.6353	2.947	18	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(CC[6a]O)	C(C[5a]C[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6]N[5a,6]O[6])(C[5a]N[5a]C)(CC[6a]O){2|C<4>}	119.3965	2.037	2	119.3965	4.150	2	119.6353	2.947	18	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5,5a]-3:C-3:	C(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CC[6a]O)	C(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5,5a]C[5])(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	119.5030	0.000	1	119.5030	0.000	1	119.5030	0.000	1	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C(C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]O)	C(C[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])(CC[6a]O){1|H<1>,1|O<1>,4|C<3>}	119.6770	0.000	1	119.6770	0.000	1	119.6770	0.000	1	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]O){1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(CC[6a]O){1|H<1>,2|C<3>}	119.5980	0.000	1	119.5980	0.000	1	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CC[6a]O){1|H<1>,2|C<3>}	122.2030	0.000	1	122.2030	0.000	1	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O){1|H<1>,1|O<2>,2|C<3>}	118.0960	0.000	1	118.0960	0.000	1	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){1|H<1>,1|S<4>,2|C<3>}	122.5855	1.367	2	122.5855	1.868	2	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){2|C<3>,2|H<1>}	121.4730	0.000	1	121.4730	0.000	1	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5a]O){1|C<3>,1|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){2|C<3>,2|H<1>}	121.0870	0.000	1	121.0870	0.000	1	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a]N[5a,6]C[6a])(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a]N[5a,6]C[6a])(CC[6a]O){1|B<4>,5|C<3>}	119.6990	0.000	1	119.6990	0.000	1	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(CC[6a]O){1|H<1>,1|N<3>,4|C<3>}	120.2780	0.559	2	120.2780	0.312	2	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(CC[6a]O){5|C<3>}	119.5610	0.000	1	119.5610	0.000	1	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O){2|H<1>,4|C<3>}	121.7335	0.486	4	121.7554	0.180	5	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O){2|H<1>,4|C<3>}	121.8430	0.000	1	121.7554	0.180	5	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]O){1|H<1>,4|C<3>}	119.8530	0.000	1	119.8530	0.000	1	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])(CC[6a]O){1|H<1>,4|C<3>}	120.3390	0.000	1	120.3390	0.000	1	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){1|H<1>,1|S<4>,2|C<3>}	119.0033	2.065	3	119.7318	2.138	8	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){2|C<3>,2|H<1>}	119.9133	0.928	4	119.7318	2.138	8	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|N<2>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){2|C<3>,2|H<1>}	121.1910	0.000	1	119.7318	2.138	8	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[3])(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	120.1890	0.000	1	120.1890	0.000	1	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O){1|C<2>,1|H<1>,2|C<3>}	120.1775	1.699	2	119.8105	0.863	8	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	119.2765	0.492	4	119.8105	0.863	8	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O){1|H<1>,1|S<4>,2|C<3>}	120.3840	0.000	1	119.8105	0.863	8	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O){2|C<3>,2|H<1>}	120.6390	0.000	1	119.8105	0.863	8	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)(CC[6a]O){2|C<3>,2|H<1>}	116.2680	0.000	1	116.2680	0.000	1	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(CC[6a]O){1|H<1>,2|C<3>}	119.9175	1.065	4	119.9175	1.134	4	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]N)(CC[6a]O){1|H<1>,2|C<3>}	121.5093	0.564	4	121.5093	0.318	4	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]O[6a])(C[5a]O[5a]N)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]O[6a])(C[5a]O[5a]N)(CC[6a]O){2|C<3>}	121.8750	0.000	1	121.8750	0.000	1	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]H)(CC[6a]O){3|C<3>}	119.1550	0.707	2	119.1550	0.500	2	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]P)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a]N[5a]P)(CC[6a]O){3|C<3>}	119.2120	0.000	1	119.2120	0.000	1	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	117.3900	0.000	1	118.4700	2.333	2	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){4|C<3>}	119.5500	0.000	1	118.4700	2.333	2	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]I)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]I)(CC[6a]O){4|C<3>}	118.0700	0.000	1	118.0700	0.000	1	120.1828	2.173	51	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a,6a]-3:C-3:	C(C[5a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(CC[6a]O)	C(C[5a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(CC[6a]O){1|N<2>,2|H<1>,3|C<3>}	117.3800	0.000	1	117.3800	0.000	1	118.3713	0.513	4	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a,6a]-3:C-3:	C(C[5a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(CC[6a]O)	C(C[5a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])(CC[6a]O){2|H<1>,4|C<3>}	118.7017	0.337	3	118.7017	0.114	3	118.3713	0.513	4	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CC[6a]O)	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CC[6a]O){1|H<1>,4|C<3>}	117.5670	0.000	1	117.5670	0.000	1	117.5670	0.000	1	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]O)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(CC[6a]O){1|C<3>}	122.5150	0.000	1	122.5150	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CC[6a]O){1|C<4>}	118.3445	1.023	6	118.3445	1.046	6	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O){1|C<4>}	118.3425	0.572	2	118.3425	0.327	2	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]O){2|C<4>}	117.4100	0.195	2	117.4100	0.038	2	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]O){1|C<3>,1|N<3>,2|H<1>}	120.7350	0.000	1	120.7350	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|Br<1>,1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	120.0150	0.000	1	120.0150	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	120.0230	0.000	1	120.0230	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]O){1|C<3>,1|H<1>}	121.5310	0.000	1	121.5310	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]O){1|C<4>,2|C<3>}	125.4740	0.000	1	125.4740	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]C)(CC[6a]O){2|C<3>}	117.4710	0.000	1	117.4710	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](C[5a]N[5,5a]C[5a])(C[5a]C[5,5a]H)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5,5a]C[5a])(C[5a]C[5,5a]H)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>}	120.4290	0.000	1	120.4290	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](C[5a]N[5a]H)2(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){2|Br<1>,1|C<3>}	C[5a](C[5a]N[5a]H)2(CC[6a]O){1|C<3>}	120.4270	0.000	1	120.5995	0.060	2	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](C[5a]N[5a]H)2(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){2|Cl<1>,1|C<3>}	C[5a](C[5a]N[5a]H)2(CC[6a]O){1|C<3>}	120.7720	0.000	1	120.5995	0.060	2	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(CC[6a]O){2|C<3>,2|C<4>}	119.4730	0.000	1	119.7820	0.191	2	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]C)(CC[6a]O){4|C<3>}	120.0910	0.000	1	119.7820	0.191	2	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]H)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5,5a]C[6a])(C[5a]N[5,5a]H)(CC[6a]O){2|C<3>,2|C<4>}	121.2720	0.000	1	121.2720	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(CC[6a]O){4|C<3>}	122.3335	1.303	2	122.3335	1.698	2	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(C[5a]N[5a,6a]H)(CC[6a]O){2|C<3>}	119.7660	0.000	1	119.7660	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]O){1|C<4>,1|H<1>}	120.6890	0.000	1	120.3440	0.904	5	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(CC[6a]O){1|C<4>,1|N<3>}	120.2578	1.075	4	120.3440	0.904	5	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C)(C[5a]N[5a]S)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]N[5a]S)(CC[6a]O){2|C<3>}	119.1560	0.000	1	119.1560	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C)(C[5a]O[5a]S)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]O[5a]S)(CC[6a]O){1|C<3>}	121.1410	0.000	1	121.1410	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]C)(CC[6a]O){1|C<4>}	120.3640	0.000	1	120.3640	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(CC[6a]O){1|C<3>}	120.3750	0.000	1	120.3750	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CC[6a]O){1|C<2>}	118.8100	0.000	1	119.0735	0.139	2	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CC[6a]O){1|C<3>}	119.3370	0.000	1	119.0735	0.139	2	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]S)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]S)(CC[6a]O){1|C<3>}	118.9140	0.000	1	118.9140	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>}	121.7260	0.000	1	120.9470	1.214	2	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]N[5a]H)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>}	120.1680	0.000	1	120.9470	1.214	2	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C[5])(C[5a]O[5a]H)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[5])(C[5a]O[5a]H)(CC[6a]O){1|C<3>,1|H<1>,2|C<4>}	118.0870	0.000	1	118.0870	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O){1|H<1>,5|C<3>}	118.2230	0.000	1	118.2230	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]O){5|C<3>}	119.5610	1.232	3	119.5610	1.517	3	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)(CC[6a]O){1|C<4>,3|C<3>}	119.4980	0.000	1	119.4980	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)(CC[6a]O){4|C<3>}	120.6320	0.000	1	120.6320	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)(CC[6a]O){1|H<1>,3|C<3>}	119.6720	0.000	1	119.6720	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]Sn)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]Sn)(CC[6a]O){1|H<1>,3|C<3>}	120.5700	0.000	1	120.5700	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N)(CC[6a]O){3|C<3>}	117.6220	0.000	1	117.6220	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[6])(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(C[5a]S[5a]N[6])(CC[6a]O){1|H<1>,2|C<3>,2|C<4>}	119.4960	0.000	1	119.4960	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O){1|C<3>,1|H<1>}	120.1390	0.000	1	119.6830	0.197	4	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O){1|C<4>,1|H<1>}	119.1230	0.000	1	119.6830	0.197	4	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O){1|F<1>,1|H<1>}	119.7350	0.252	2	119.6830	0.197	4	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]S)(CC[6a]O){1|C<3>,1|H<1>}	120.2350	0.000	1	120.2350	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]N)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]N)(CC[6a]O){1|C<3>}	120.5340	0.000	1	120.9093	0.226	4	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]N)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]N)(CC[6a]O){1|C<4>}	121.1270	0.662	2	120.9093	0.226	4	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]N)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]O[5a]N)(CC[6a]O){1|O<2>}	120.8490	0.000	1	120.9093	0.226	4	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]S)(CC[6a]O){1|H<1>}	121.6270	0.464	2	121.6270	0.215	2	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(CC[6a]O){1|O<2>,2|C<3>}	118.9013	1.050	3	118.9013	1.102	3	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]O)(C[5a]O[5a]C)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]O)(C[5a]O[5a]C)(CC[6a]O){1|C<3>}	121.1400	0.000	1	121.1400	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]S)(C[5a]O[5a]S)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S)(C[5a]O[5a]S)(CC[6a]O){1|H<1>}	119.8970	0.000	1	119.8970	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	118.0010	0.000	1	119.2788	1.556	5	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]O){1|H<1>,3|C<3>}	119.5983	1.181	4	119.2788	1.556	5	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	120.6200	1.626	2	120.6200	2.645	2	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)(CC[6a]O){3|C<3>}	119.3175	0.009	2	119.3175	0.000	2	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]O){3|C<3>}	118.5090	0.000	1	118.4575	0.005	2	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|Cl<1>,1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]O){3|C<3>}	118.4060	0.000	1	118.4575	0.005	2	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]O){1|C<4>,2|C<3>}	119.4605	0.691	2	119.1340	0.587	4	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(CC[6a]O){3|C<3>}	118.8075	0.926	2	119.1340	0.587	4	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(CC[6a]O){1|C<4>,2|C<3>}	118.2920	0.000	1	118.2920	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(CC[6a]O){1|N<3>,2|C<3>}	120.5560	1.335	3	120.5560	1.783	3	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]O){1|N<2>,3|C<3>}	120.0590	0.000	1	120.0550	4.252	4	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(CC[6a]O){4|C<3>}	120.0537	2.525	3	120.0550	4.252	4	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O){1|C<3>,1|H<1>}	119.9390	0.944	4	122.4129	7.789	15	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O){1|C<3>}	124.0079	2.467	9	122.4129	7.789	15	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O){1|C<4>}	120.1830	0.593	2	122.4129	7.789	15	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]N[5a]C)(C[5a]O[5a]H)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]O[5a]H)(CC[6a]O)	120.1070	0.000	1	120.1070	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]N[5a]H)(C[5a]O[5a]C)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(C[5a]O[5a]C)(CC[6a]O)	120.1450	0.000	1	120.1450	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]S[5a]N[6])(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]S[5a]N[6])(C[5a]C[5a]H)(CC[6a]O){1|C<3>,2|C<4>}	119.2530	0.000	1	119.2530	0.000	1	120.1817	3.607	108	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5a]O)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5a]O){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O){1|C<4>,3|C<3>}	119.1810	0.000	1	119.1810	0.000	1	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]O)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC[6a]O){1|C<4>}	118.2700	0.000	1	118.2700	0.000	1	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]O){1|C<4>,1|H<1>}	114.1407	0.607	8	114.1407	0.368	8	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O){1|C<3>,1|H<1>}	118.8479	1.874	7	117.9232	6.008	9	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O){2|C<3>}	114.6870	0.246	2	117.9232	6.008	9	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]O){2|C<3>}	119.5050	0.000	1	119.5050	0.000	1	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]O){2|C<3>}	121.9810	0.000	1	121.9810	0.000	1	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O)	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]O){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]H)(CC[6a]O){2|C<3>}	120.7310	0.000	1	120.7310	0.000	1	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]2)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]2)(CC[6a]O){2|Cl<1>,2|C<3>}	121.0150	0.805	2	121.0150	0.648	2	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]H)(CC[6a]O){2|Cl<1>}	122.4280	0.000	1	122.4280	0.000	1	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O){1|S<2>,3|C<3>}	125.5585	0.074	2	125.5585	0.006	2	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC[6a]O){1|C<4>}	122.2030	0.000	1	122.2030	0.000	1	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)(CC[6a]O){2|Cl<1>,2|C<3>}	120.1775	0.981	2	120.1775	0.962	2	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]S)(CC[6a]O){2|C<3>}	121.2460	0.000	1	121.2460	0.000	1	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(CC[6a]O){4|C<3>}	119.6710	0.000	1	119.6710	0.000	1	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]O){4|C<3>}	118.3940	0.000	1	118.3940	0.000	1	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)(CC[6a]O){2|C<3>}	118.2393	0.105	3	118.2393	0.011	3	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(CC[6a]O){2|C<3>}	119.7823	0.289	3	119.7823	0.084	3	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]O){1|C<3>,1|C<4>}	120.1970	0.000	1	120.7057	0.317	3	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]O){1|C<4>,1|H<1>}	120.9600	0.495	2	120.7057	0.317	3	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2)(CC[6a]O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	120.7020	0.000	1	120.7020	0.000	1	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O){1|C<2>,3|C<3>}	120.5636	0.841	5	120.5084	0.482	7	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	120.2880	0.000	1	120.5084	0.482	7	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]O){4|C<3>}	120.4530	0.000	1	120.5084	0.482	7	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]O){1|C<3>,1|H<1>}	119.0540	0.000	1	118.0165	2.153	2	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]O){1|C<4>,1|H<1>}	116.9790	0.000	1	118.0165	2.153	2	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O){1|Br<1>,1|H<1>}	119.5860	0.062	2	119.5427	0.220	7	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O){2|H<1>}	120.2680	0.000	1	119.5427	0.220	7	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O){1|C<3>,1|H<1>}	119.4187	0.522	3	119.5427	0.220	7	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]O){2|H<1>}	119.1030	0.000	1	119.5427	0.220	7	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|O<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)(CC[6a]O){1|N<3>,2|C<3>}	120.8810	0.796	2	120.8810	0.634	2	119.1243	7.303	61	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5,5a]-3:C[5a]-3:C-3:	C(C[5a]N[5,5a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]N[5,5a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(CC[6a]O){1|C<3>,1|C<4>,3|H<1>}	119.8500	0.000	1	120.6417	0.505	3	120.6417	0.505	3	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5,5a]-3:C[5a]-3:C-3:	C(C[5a]N[5,5a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]N[5,5a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>}	121.0375	0.264	2	120.6417	0.505	3	120.6417	0.505	3	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,5a]-3:C[5a,6]-3:C-3:	C(C[5a]N[5a,5a]C[5a,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6]C[5a,6]C[6,6a])(CC[6a]O)	C(C[5a]N[5a,5a]C[5a,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6]C[5a,6]C[6,6a])(CC[6a]O){1|C<4>,1|S<2>,4|C<3>}	118.5843	0.597	3	118.5843	0.356	3	118.5843	0.356	3	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,5a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[6a]N[5a])(CC[6a]O)	C(C[5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[6a]N[5a])(CC[6a]O){1|C<4>,4|C<3>}	118.2540	0.000	1	118.2540	0.000	1	118.2540	0.000	1	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	119.5660	1.786	2	119.5660	3.190	2	118.4340	2.349	8	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]O)	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	118.5890	0.000	1	119.1610	0.654	2	118.4340	2.349	8	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]O)	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])(CC[6a]O){1|C<4>,2|H<1>,4|C<3>}	119.7330	0.000	1	119.1610	0.654	2	118.4340	2.349	8	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>}	119.4430	0.000	1	117.5045	1.840	4	118.4340	2.349	8	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	116.8583	0.505	3	117.5045	1.840	4	118.4340	2.349	8	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	116.8440	0.000	1	116.8440	0.000	1	118.3487	2.340	31	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CC[6a]O)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,1|F<1>,1|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])(CC[6a]O){1|H<1>,1|N<2>,4|C<3>}	117.4600	0.000	1	117.4600	0.000	1	118.3487	2.340	31	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O){1|H<1>,3|C<3>}	118.4290	0.000	1	118.4290	0.000	1	118.3487	2.340	31	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(CC[6a]O)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(CC[6a]O){4|C<3>}	117.5420	0.000	1	117.5420	0.000	1	118.3487	2.340	31	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CC[6a]O){1|Br<1>,3|C<3>}	117.4970	0.000	1	116.9718	0.117	5	118.3487	2.340	31	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	116.9415	0.240	2	116.9718	0.117	5	118.3487	2.340	31	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(CC[6a]O){1|O<2>,3|C<3>}	116.7395	0.158	2	116.9718	0.117	5	118.3487	2.340	31	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O){1|H<1>,3|C<3>}	119.5588	1.109	4	119.4956	0.942	5	118.3487	2.340	31	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|Cl<1>,1|C<3>,1|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O){2|C<3>,2|H<1>}	119.2430	0.000	1	119.4956	0.942	5	118.3487	2.340	31	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O){1|C<2>,1|H<1>,4|C<3>}	121.1230	0.000	1	120.4330	0.952	2	118.3487	2.340	31	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O){1|H<1>,5|C<3>}	119.7430	0.000	1	120.4330	0.952	2	118.3487	2.340	31	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	118.1120	0.000	1	118.1002	2.771	10	118.3487	2.340	31	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,1|N<2>,2|C<3>}	115.7620	0.000	1	118.1002	2.771	10	118.3487	2.340	31	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	117.6848	1.087	5	118.1002	2.771	10	118.3487	2.340	31	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|O<2>,3|C<3>}	120.6065	0.977	2	118.1002	2.771	10	118.3487	2.340	31	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){2|C<3>,2|H<1>}	117.4910	0.000	1	118.1002	2.771	10	118.3487	2.340	31	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]O){1|H<1>,2|C<3>,2|N<2>}	121.0260	0.000	1	121.0260	0.000	1	118.3487	2.340	31	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]O){1|H<1>,2|C<3>}	119.8510	0.000	1	119.8510	0.000	1	118.3487	2.340	31	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,1|H<1>,1|O<2>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]O){1|C<3>,1|H<1>,1|N<2>}	117.4855	0.258	2	117.4855	0.067	2	118.3487	2.340	31	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]O)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	118.4830	0.000	1	118.4830	0.000	1	118.3487	2.340	31	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]O)	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]O){1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]O){2|C<3>}	118.5030	0.000	1	118.5030	0.000	1	118.3976	2.178	10	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]O){1|C<3>,1|H<1>}	118.0260	1.570	2	118.0260	2.464	2	118.3976	2.178	10	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O)	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5a]O){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[6a]O){1|C<3>,1|H<1>}	115.7940	0.000	1	115.7940	0.000	1	118.3976	2.178	10	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(CC[6a]O){4|C<3>}	118.2865	0.036	2	118.2865	0.001	2	118.3976	2.178	10	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(CC[6a]O){1|H<1>,3|C<3>}	119.8850	1.097	3	119.8850	1.204	3	118.3976	2.178	10	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	117.3990	0.000	1	117.3990	0.000	1	118.3976	2.178	10	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pd)(CC[5a]H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]Pd)(CC[5a]H){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[6a]H){1|C<3>,1|C<4>}	129.1040	0.000	1	129.1040	0.000	1	129.1040	0.000	1	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[5a]O){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]O){1|C<3>,1|H<1>}	120.6250	0.000	1	120.6250	0.000	1	120.6250	0.000	1	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]O){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O){1|C<3>,1|H<1>}	124.0640	0.000	1	124.0640	0.000	1	124.0640	0.000	1	120.1753	10.238	328	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	N[5a]-2:O[5a]-2:C-3:	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC[6a]N)	C(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]N){1|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC[6a]N){1|N<3>}	118.6260	0.000	1	118.6260	0.000	1	118.6260	0.000	1	118.6260	0.000	1	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]C){1|C<4>}	120.3370	0.188	2	120.3370	0.035	2	120.3370	0.035	2	121.4030	1.945	4	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]C)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]C){1|C<3>,1|C<4>}	122.4690	1.120	2	122.4690	1.255	2	122.4690	1.255	2	121.4030	1.945	4	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	118.8780	0.000	1	118.8780	0.000	1	122.2925	23.318	2	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CC[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]N)(CC[6a]C){1|H<1>,2|C<3>}	125.7070	0.000	1	125.7070	0.000	1	122.2925	23.318	2	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CC[6a]C)	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CC[6a]C){1|H<1>,4|C<3>}	120.0810	0.000	1	120.0810	0.000	1	120.0810	0.000	1	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CC[6a]C)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CC[6a]C){1|C<3>}	124.7810	0.000	1	124.7810	0.000	1	124.7810	0.000	1	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C){1|C<3>,1|H<1>}	119.6435	1.115	2	119.6435	1.243	2	119.6435	1.243	2	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5a]C){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C){1|H<1>,4|C<3>}	118.7670	0.000	1	118.7670	0.000	1	118.7670	0.000	1	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]N)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]N){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]N)(CC[6a]N){1|C<4>}	117.2145	0.008	2	117.2145	0.000	2	119.2312	2.051	19	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(C[5a]S[5a]N)(CC[6a]N){1|C<4>}	119.0300	0.000	1	119.0300	0.000	1	119.2312	2.051	19	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]N)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5a]N){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]N){1|H<1>,3|C<3>}	117.0280	0.000	1	117.0280	0.000	1	119.2312	2.051	19	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]N)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5a]N){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>,1|H<1>}	118.4480	0.000	1	118.4480	0.000	1	119.2312	2.051	19	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]O)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]O)(CC[6a]N){1|S<2>,2|C<3>}	120.8620	0.000	1	120.8620	0.000	1	119.2312	2.051	19	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|Br<1>,1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]N){3|C<3>}	120.6055	0.375	2	120.3458	0.905	6	119.2312	2.051	19	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|C<4>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]N){1|H<1>,3|C<3>}	119.5040	0.000	1	120.3458	0.905	6	119.2312	2.051	19	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]N){3|C<3>}	119.9375	1.382	2	120.3458	0.905	6	119.2312	2.051	19	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|Cl<1>,1|H<1>,1|N<2>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]N){3|C<3>}	121.4850	0.000	1	120.3458	0.905	6	119.2312	2.051	19	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]N)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]O[5a]N)(CC[6a]N){2|C<3>}	121.2430	0.000	1	121.2430	0.000	1	119.2312	2.051	19	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|Br<1>,1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>}	118.7460	0.000	1	118.8618	0.873	4	119.2312	2.051	19	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,1|F<1>,1|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>,1|H<1>}	117.9660	0.000	1	118.8618	0.873	4	119.2312	2.051	19	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>}	120.1710	0.000	1	118.8618	0.873	4	119.2312	2.051	19	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|Cl<1>,1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>,1|H<1>}	118.5640	0.000	1	118.8618	0.873	4	119.2312	2.051	19	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]Cl)2(CC[5a]N)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]Cl)2(CC[5a]N){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>,1|C<4>}	118.2100	0.000	1	118.2100	0.000	1	119.2312	2.051	19	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>,1|H<1>}	118.6210	0.000	1	118.6210	0.000	1	119.2312	2.051	19	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]N)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]N){1|C<3>,1|H<1>}	118.9290	0.000	1	118.9290	0.000	1	118.9290	0.000	1	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]H)(CC[6a]N)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NC[5a])	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]H)(CC[6a]N){1|C<3>,1|H<1>}	119.6260	0.000	1	119.6260	0.000	1	119.4227	1.776	8	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]N)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]N){1|C<3>,1|H<1>}	119.3937	1.437	7	119.3937	2.064	7	119.4227	1.776	8	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(OCd)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(OCd)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O){1|C<3>}	118.4180	0.013	2	118.4180	0.000	2	120.2589	3.214	7	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(OIr)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(OIr)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O){1|C<3>}	121.1060	0.000	1	121.1060	0.000	1	120.2589	3.214	7	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(ONi)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(ONi)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O){1|C<3>}	119.6495	1.464	2	119.6495	2.145	2	120.2589	3.214	7	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(ORu)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(ORu)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O){1|C<3>}	122.2855	0.828	2	122.2855	0.686	2	120.2589	3.214	7	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OCu)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(OCu)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[6a]O){1|C<4>,1|H<1>}	124.0580	0.000	1	124.0580	0.000	1	124.5480	0.480	2	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(ONi)	C[6a](C[6a]C[6a]H)2(CC[5a]O)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(ONi)	C[6a](C[6a]C[6a]H)2(CC[5a]O){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]O){1|C<4>,1|H<1>}	125.0380	0.000	1	125.0380	0.000	1	124.5480	0.480	2	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C-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)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]S)	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>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a]C[5a,6a]S)(CC[6a]S){1|H<1>,3|C<3>}	126.6410	0.000	1	126.6410	0.000	1	126.6410	0.000	1	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:O-2:	C[6a,6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(ORu)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]O)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]2)(ORu)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]O){2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]O){1|C<3>}	119.9785	0.018	2	119.9785	0.000	2	119.9785	0.000	2	120.1002	4.985	47	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	2:2:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(CC[5a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.6570	1.459	2	117.6570	2.130	2	117.6570	2.130	2	117.6570	2.130	2	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	2:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5a]2){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.7470	0.905	2	117.7470	0.819	2	117.3978	0.506	4	117.3978	0.506	4	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	2:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5a]2){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.0485	0.460	2	117.0485	0.212	2	117.3978	0.506	4	117.3978	0.506	4	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:2:2:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C-3:N[6a]-2:N[6a]-2:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]N[6a]2)	C[6a](CC[5a]C[5])(N[6a]C[6a])2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]N[6a]2)	C[6a](CC[5a]C[5])(N[6a]C[6a])2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	115.8580	1.456	4	115.8580	2.120	4	115.8580	2.120	4	115.8580	2.120	4	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:2:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	117.4480	0.843	4	117.4480	0.711	4	117.4480	0.711	4	117.4480	0.711	4	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	2:2:3:	C[5a]-3:C-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-2:O[5a]-2:C-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[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[6a]C)	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[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[6a]C){2|C<3>}	115.4620	0.000	1	115.4620	0.000	1	115.4620	0.000	1	115.7480	0.164	2	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-2:O[5a]-2:C-3:	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[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[6a]C)	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[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[6a]C){2|C<3>}	116.0340	0.000	1	116.0340	0.000	1	116.0340	0.000	1	115.7480	0.164	2	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5]C[5,6a]N[5])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]C[5])	C(C[5]C[5,6a]N[5])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]C[5]){1|C<3>,1|S<2>}	117.8345	3.982	2	117.8345	15.854	2	117.8345	15.854	2	117.6396	14.894	37	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-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[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]C)	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[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]C){1|C<3>,1|O<2>}	116.3170	0.000	1	116.3170	0.000	1	115.8750	0.526	5	117.6396	14.894	37	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-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[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]C)	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[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]C){1|O<2>,3|C<3>}	115.8535	1.030	2	115.8535	1.061	2	115.8750	0.526	5	117.6396	14.894	37	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-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[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]C)	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[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]C){1|C<3>,1|C<4>}	115.6755	0.875	2	115.6755	0.765	2	115.8750	0.526	5	117.6396	14.894	37	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-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[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]C)	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[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]C){1|C<3>,1|H<1>}	115.6440	0.901	2	115.6440	0.812	2	115.6440	0.812	2	117.6396	14.894	37	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5])	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]C[5])	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[6a]C[5]){1|C<3>,1|S<2>}	116.8185	2.414	4	116.8185	5.827	4	116.8185	5.827	4	117.6396	14.894	37	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[5a]C[6a]){2|C<3>}	118.6420	0.000	1	118.6420	0.000	1	118.6420	0.000	1	117.6396	14.894	37	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,5a]H)(S[5a]C[5a,5a])(CC[5a]C[6a]){1|C<3>,1|S<2>}	114.8850	0.851	2	114.8850	0.725	2	114.8850	0.725	2	117.6396	14.894	37	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:O[5a]-2:C-3:	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[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]C)	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[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]C){1|H<1>,3|C<3>}	126.7590	0.000	1	126.7590	0.000	1	126.7590	0.000	1	117.6396	14.894	37	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	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[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C)	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[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C){1|H<1>,1|P<4>,2|C<3>}	118.5480	0.000	1	118.5480	0.000	1	117.8420	0.376	3	117.6396	14.894	37	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	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[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]C)	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[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]C){3|C<3>}	117.4890	0.065	2	117.4890	0.004	2	117.8420	0.376	3	117.6396	14.894	37	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	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[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]C)	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[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]C){2|C<3>}	120.0750	1.373	2	120.0750	1.886	2	116.8775	15.319	4	117.6396	14.894	37	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2: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[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]C)	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[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]C){1|C<3>,1|O<2>}	112.4200	0.000	1	112.4200	0.000	1	116.8775	15.319	4	117.6396	14.894	37	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:O[5a]-2:C-3:	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[5a](C[5a]C[5a]H)(O[5a]N[5a])(CC[6a]C)	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[5a](C[5a]C[5a]H)(O[5a]N[5a])(CC[6a]C){1|C<3>}	114.9400	0.000	1	114.9400	0.000	1	116.8775	15.319	4	117.6396	14.894	37	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	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[5a](C[5a]C[5a]Cl)(S[5a]N[5a])(CC[6a]C)	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[5a](C[5a]C[5a]Cl)(S[5a]N[5a])(CC[6a]C){1|Cl<1>}	116.2480	0.000	1	116.2480	0.000	1	115.5600	0.355	3	117.6396	14.894	37	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	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[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]C)	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[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]C){2|H<1>}	115.2030	0.000	1	115.2030	0.000	1	115.5600	0.355	3	117.6396	14.894	37	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:S[5a]-2:C-3:	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[5a](C[5a]N[5a]H)(S[5a]C[5a])(CC[6a]C)	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[5a](C[5a]N[5a]H)(S[5a]C[5a])(CC[6a]C){1|H<1>}	115.2290	0.000	1	115.2290	0.000	1	115.5600	0.355	3	117.6396	14.894	37	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:N[5a]-2:C-3:	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[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[6a]C)	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[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[6a]C)	114.8860	0.000	1	114.8860	0.000	1	114.8860	0.000	1	117.6396	14.894	37	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C[5a]-3:O[5a]-2:C-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2){1|C<4>,3|C<3>}	111.7820	1.486	2	111.7820	2.209	2	111.7820	2.209	2	117.6396	14.894	37	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]2)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]2){1|C<3>,1|H<1>}	121.9483	3.701	4	122.1238	11.552	6	122.1238	11.552	6	117.6396	14.894	37	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C[5a]-3:S[5a]-2:C-3:	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]2)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(CC[6a]2){1|H<1>,1|P<2>}	122.4750	4.038	2	122.1238	11.552	6	122.1238	11.552	6	117.6396	14.894	37	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:O[5a]-2:C-3:	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]N)	C(C[5a]C[5a,6a]O[5a])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]N){1|H<1>,3|C<3>}	124.9800	0.000	1	124.9800	0.000	1	124.9800	0.000	1	117.6396	14.894	37	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,5a]-3:C-3:N[5a]-2:	C(C[5a]C[5a,5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a,5a]C[5a,5a]N[5a])(CC[6a]C[5])(N[5a]C[5a])	C(C[5a]C[5a,5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(CC[6a]C[5])(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>}	117.3370	0.680	2	117.3370	0.463	2	117.3370	0.463	2	117.1704	3.747	145	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:O[5a]-2:	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(O[5a]C[5a])	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(O[5a]C[5a]){1|C<3>,1|H<1>}	113.7870	0.000	1	113.7870	0.000	1	113.7870	0.000	1	117.1704	3.747	145	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:S[5a]-2:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(S[5a]C[5a])	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(S[5a]C[5a]){1|C<3>,1|H<1>}	117.5425	1.977	22	117.5425	3.909	22	118.0994	3.275	45	117.1704	3.747	145	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:S[5a]-2:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(S[5a]C[5a])	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(S[5a]C[5a]){1|C<3>,1|H<1>}	117.7980	0.346	2	117.7980	0.120	2	118.0994	3.275	45	117.1704	3.747	145	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:S[5a]-2:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(S[5a]C[5a])	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(S[5a]C[5a]){1|C<3>,1|H<1>}	118.7115	1.533	21	118.7115	2.351	21	118.0994	3.275	45	117.1704	3.747	145	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:O[5a]-2:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	115.7237	1.324	12	115.7237	1.753	12	116.0944	3.028	53	117.1704	3.747	145	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:O[5a]-2:	C(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	116.2519	1.680	30	116.2519	2.822	30	116.0944	3.028	53	117.1704	3.747	145	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:O[5a]-2:	C(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C(C[5a]C[5a]O[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	116.3882	2.180	10	116.3882	4.751	10	116.0944	3.028	53	117.1704	3.747	145	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:O[5a]-2:	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	112.8800	0.000	1	112.8800	0.000	1	116.0944	3.028	53	117.1704	3.747	145	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:S[5a]-2:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	117.4818	0.874	6	117.4818	0.764	6	117.4653	2.185	37	117.1704	3.747	145	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:S[5a]-2:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	118.9839	0.974	9	118.9839	0.948	9	117.4653	2.185	37	117.1704	3.747	145	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:S[5a]-2:	C(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	117.7935	3.140	4	117.7935	9.861	4	117.4653	2.185	37	117.1704	3.747	145	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:S[5a]-2:	C(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	116.8135	0.384	13	116.6401	0.238	17	117.4653	2.185	37	117.1704	3.747	145	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:S[5a]-2:	C(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]C[5a]S[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|Cl<1>,1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	116.0763	0.356	4	116.6401	0.238	17	117.4653	2.185	37	117.1704	3.747	145	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:S[5a]-2:	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a])	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>}	116.4150	0.000	1	116.4150	0.000	1	117.4653	2.185	37	117.1704	3.747	145	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C-3:N[5a]-2:	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(N[5a]C[5a])	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(N[5a]C[5a]){1|Re<6>,1|C<3>,1|H<1>,1|N<3>}	117.2510	0.000	1	117.2510	0.000	1	117.2510	0.000	1	117.1704	3.747	145	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:O[5a]-2:	C(C[5a]C[5a]N[5a])(C[5a]N[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(O[5a]C[5a])	C(C[5a]C[5a]N[5a])(C[5a]N[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(O[5a]C[5a]){1|C<3>,1|O<1>}	118.7840	0.000	1	118.7840	0.000	1	118.7840	0.000	1	117.1704	3.747	145	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:O[5a]-2:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(O[5a]C[5a])	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(O[5a]C[5a]){1|C<3>,1|H<1>}	119.4375	1.756	4	119.4375	3.085	4	119.4375	3.085	4	117.1704	3.747	145	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:O[5a]-2:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6])	C[5a](C[5a]C[5a]H)(CC[6a]C[6])(O[5a]C[5a])	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(CC[6a]C[6])(O[5a]C[5a]){1|C<3>,1|C<4>}	113.7720	0.000	1	113.7720	0.000	1	113.7720	0.000	1	117.1704	3.747	145	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5]C[5]N[5])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]C[5])	C(C[5]C[5]N[5])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	115.9940	0.000	1	115.9940	0.000	1	116.6049	1.192	8	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5]C[5]N[5])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]C[5])	C(C[5]C[5]N[5])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	116.2776	1.088	5	116.6921	1.320	7	116.6049	1.192	8	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5]C[5]N[5])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]C[5])	C(C[5]C[5]N[5])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	117.7285	0.416	2	116.6921	1.320	7	116.6049	1.192	8	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){2|H<1>}	116.9510	0.000	1	116.9510	0.000	1	113.4914	3.225	7	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]C[5])	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]C[5]){2|C<3>}	112.8360	1.140	5	112.8360	1.300	5	113.4914	3.225	7	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	113.3090	0.000	1	113.3090	0.000	1	113.4914	3.225	7	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|N<3>,3|H<1>}	113.9110	0.000	1	113.9110	0.000	1	115.6183	2.378	3	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	116.4720	0.619	2	116.4720	0.384	2	115.6183	2.378	3	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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,6a]-3:N[5a]-3:C-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[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(CC[6a]C)	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[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(CC[6a]C){1|H<1>,3|C<3>}	111.7105	0.129	2	111.7105	0.017	2	111.7105	0.017	2	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:	N[5a]-3:C[5a]-3:C-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[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[6a]C)	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[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[6a]C){1|C<3>,1|H<1>}	112.4270	0.448	4	112.4270	0.200	4	112.2185	0.278	8	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:	N[5a]-3:C[5a]-3:C-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[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C)	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[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C){1|C<3>,1|H<1>}	111.7590	0.703	2	111.7590	0.494	2	112.2185	0.278	8	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:	N[5a]-3:C[5a]-3:C-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[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[6a]C)	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[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[6a]C){1|C<3>,1|H<1>}	112.2610	0.498	2	112.2610	0.248	2	112.2185	0.278	8	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[4]C[4]N[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[4])	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[6a]C[4])	C(C[5a]C[5a]N[5a])(C[4]C[4]N[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[4]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[6a]C[4]){1|C<3>,1|H<1>}	120.7382	0.957	4	120.7382	0.915	4	120.9618	0.713	6	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[4]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[4]C[4]N[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[4])	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[4])	C(C[5a]C[5a]N[5a])(C[4]C[4]N[4])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[4]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[4]){1|C<3>,1|H<1>}	121.4090	0.468	2	121.4090	0.219	2	120.9618	0.713	6	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,5a]-3:N[5a]-3:C-3:	C(C[5a]C[5,5a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5,5a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)(CC[6a]C[5]){1|N<3>,1|O<1>,2|C<3>}	119.0068	0.864	10	119.0068	0.746	10	119.0068	0.746	10	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,5a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a,5a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<3>,2|C<3>}	116.2495	2.227	2	116.2495	4.958	2	116.2495	4.958	2	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6,6]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6,6]N[5a])(C[5]C[5,6,6]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a,6,6]N[5a])(C[5]C[5,6,6]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,2|C<3>,2|C<4>}	115.4820	0.000	1	115.4820	0.000	1	115.4820	0.000	1	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CC[6a]C[5])	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(CC[6a]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	118.9070	0.000	1	118.9070	0.000	1	116.6463	4.554	3	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]C[5])	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(CC[6a]C[5]){1|H<1>,4|C<3>}	115.5160	1.201	2	115.5160	1.442	2	116.6463	4.554	3	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<2>,2|C<3>}	115.5060	0.000	1	121.1645	64.037	2	121.1645	64.037	2	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,3|C<3>}	126.8230	0.000	1	121.1645	64.037	2	121.1645	64.037	2	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5,5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5,5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	116.5733	1.963	4	116.5733	3.855	4	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]C[5]){1|C<3>,1|F<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	118.4890	0.000	1	118.4890	0.000	1	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	116.5390	0.388	5	116.5390	0.151	5	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5])	C[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]H)(CC[6a]C[5]){2|C<3>}	117.3820	1.035	2	117.3820	1.072	2	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	116.3588	1.505	37	116.4071	2.297	39	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<2>}	115.8650	0.000	1	116.4071	2.297	39	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<3>}	118.7350	0.000	1	116.4071	2.297	39	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	114.8200	1.664	4	115.5877	2.770	7	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){2|H<1>}	116.6113	1.185	3	115.5877	2.770	7	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	117.8565	0.274	2	117.8565	0.075	2	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	117.9057	1.735	3	117.9057	3.009	3	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5a](C[5a]C[5a]Cu)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]Cu)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	123.4110	0.000	1	123.4110	0.000	1	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5a](C[5a]C[5a]F)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]F)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|F<1>}	115.4790	2.223	2	115.4790	4.942	2	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	116.7880	1.752	94	116.7266	2.847	115	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,1|H<1>}	115.9516	1.539	8	116.7266	2.847	115	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<3>}	116.5630	0.000	1	116.7266	2.847	115	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){2|H<1>}	115.9900	0.371	4	116.7266	2.847	115	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	117.1690	1.367	8	116.7266	2.847	115	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	117.7359	0.729	8	117.7359	0.532	8	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	116.7613	1.380	6	116.7613	1.905	6	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,5a]H)(N[5a]C[5a,5a]H)(CC[6a]C[5]){1|C<3>,1|S<2>}	119.7410	0.000	1	119.7410	0.000	1	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<2>,1|C<3>}	117.0195	0.547	2	117.7399	1.642	22	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	117.8119	1.319	20	117.7399	1.642	22	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,2|C<3>,2|H<1>}	119.5165	0.817	2	119.5165	0.667	2	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,3|C<3>}	117.0865	0.163	2	118.0864	2.136	8	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(CC[6a]C[5]){4|C<3>}	118.4197	1.566	6	118.0864	2.136	8	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C[5]){1|C<3>,1|H<1>}	121.1636	1.017	5	121.1636	1.034	5	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	117.7960	0.124	2	116.9855	1.647	277	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	117.6165	1.376	10	116.9855	1.647	277	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){2|C<3>}	117.2210	0.000	1	116.9855	1.647	277	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|Br<1>,1|H<1>}	119.6000	0.000	1	116.9855	1.647	277	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	116.7880	1.154	2	116.9855	1.647	277	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	116.8995	1.331	210	116.9855	1.647	277	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,1|H<1>}	118.1880	0.433	2	116.9855	1.647	277	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|Cl<1>,1|C<3>}	120.2740	0.000	1	116.9855	1.647	277	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<2>}	117.7525	0.807	8	116.9855	1.647	277	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){2|C<3>}	117.0115	1.818	2	116.9855	1.647	277	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){2|H<1>}	117.0076	0.986	11	116.9855	1.647	277	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|O<2>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	116.7011	0.504	8	116.9855	1.647	277	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	117.4732	0.769	5	116.9855	1.647	277	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	116.7178	0.811	13	116.9855	1.647	277	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){2|H<1>}	115.8420	0.000	1	116.9855	1.647	277	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]N)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]N)(CC[6a]C[5]){1|C<3>,1|H<1>}	114.9920	0.783	4	114.9920	0.613	4	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	118.1600	0.843	3	118.1600	0.711	3	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	117.8970	0.000	1	117.8970	0.000	1	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	122.8030	0.000	1	122.8030	0.000	1	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	118.8730	0.000	1	118.8730	0.000	1	116.9992	2.427	520	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a,5a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,5a]C[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(CC[5a]C[5])	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]N[5a,5a]C[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,3|C<3>}	123.6210	0.000	1	123.6210	0.000	1	123.6210	0.000	1	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	118.6680	0.000	1	118.6680	0.000	1	118.5982	4.505	49	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<2>}	118.2390	0.000	1	118.2390	0.000	1	118.5982	4.505	49	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Au)(C[5a]C[5a]C)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Au)(C[5a]C[5a]C)(CC[6a]C[5]){1|C<2>,1|C<3>}	119.6838	0.343	4	119.6838	0.118	4	118.5982	4.505	49	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Au)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Au)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	116.9525	1.111	2	116.9525	1.234	2	118.5982	4.505	49	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	121.7120	0.670	2	121.7120	0.449	2	118.5982	4.505	49	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[6a]C[5]){2|H<1>}	118.4270	0.000	1	118.4270	0.000	1	118.5982	4.505	49	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	116.8620	0.000	1	116.8620	0.000	1	118.5982	4.505	49	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	119.3010	2.232	7	119.3010	4.983	7	118.5982	4.505	49	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Ir)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ir)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	117.3900	0.051	2	117.3900	0.003	2	118.5982	4.505	49	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Li)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Li)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	120.7550	0.000	1	120.7550	0.000	1	118.5982	4.505	49	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	120.2845	1.101	2	120.2845	1.212	2	118.5982	4.505	49	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|C<4>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	117.6550	0.000	1	118.8822	5.171	5	118.5982	4.505	49	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	119.1890	2.503	4	118.8822	5.171	5	118.5982	4.505	49	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]C)(CC[6a]C[5]){1|C<3>,1|C<4>}	122.7805	0.740	2	122.7805	0.548	2	118.5982	4.505	49	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	116.6000	0.000	1	116.6000	0.000	1	118.5982	4.505	49	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	114.2870	0.000	1	114.2870	0.000	1	118.5982	4.505	49	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Co)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	116.6320	0.662	2	116.6320	0.438	2	118.5982	4.505	49	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,1|H<1>}	115.7220	0.083	2	115.7220	0.007	2	118.5982	4.505	49	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	116.8600	0.419	2	116.6655	0.109	4	118.5982	4.505	49	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,1|H<1>}	116.4710	0.004	2	116.6655	0.109	4	118.5982	4.505	49	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	120.2835	0.033	2	120.2835	0.001	2	118.5982	4.505	49	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Rh)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,1|H<1>}	116.8440	0.000	1	116.8440	0.000	1	118.5982	4.505	49	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	118.8225	0.948	4	118.8225	0.898	4	118.5982	4.505	49	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	116.9130	0.000	1	116.9130	0.000	1	118.5982	4.505	49	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[5,6,6a]2)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(CC[5a]2)	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[5,6,6a]2)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(CC[5a]2){1|C<3>,2|H<1>,6|C<4>}	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.7173	1.381	8	117.7173	1.906	8	117.7008	1.861	16	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[5,6,6a]2)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(CC[5a]2)	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[5,6,6a]2)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(CC[5a]2){1|C<3>,2|H<1>,6|C<4>}	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.6844	1.443	8	117.6844	2.081	8	117.7008	1.861	16	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.4218	0.701	4	118.2987	0.747	10	116.9366	1.697	26	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	118.2167	1.014	6	118.2987	0.747	10	116.9366	1.697	26	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>}	115.6825	0.838	4	115.9259	0.493	8	116.9366	1.697	26	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){2|C<4>}	116.1693	0.539	4	115.9259	0.493	8	116.9366	1.697	26	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.3975	1.013	2	116.2446	0.244	8	116.9366	1.697	26	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	116.1787	0.437	4	116.2446	0.244	8	116.9366	1.697	26	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	116.2235	0.204	2	116.2446	0.244	8	116.9366	1.697	26	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|H<1>}	116.1595	0.283	4	116.1595	0.080	4	116.8399	5.792	17	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]O)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]O){1|C<3>,1|H<1>}	116.9375	0.757	2	116.9375	0.574	2	116.8399	5.792	17	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]O)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]O){1|Ni<4>,1|C<3>}	113.8025	0.033	2	113.3523	0.609	3	116.8399	5.792	17	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]O)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]O){1|Zn<5>,1|C<3>}	112.4520	0.000	1	113.3523	0.609	3	116.8399	5.792	17	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<3>,1|C<4>}	117.8855	0.630	2	118.7657	4.347	7	116.8399	5.792	17	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|Ir<4>,1|C<3>}	122.8640	0.000	1	118.7657	4.347	7	116.8399	5.792	17	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|Pd<4>,1|C<3>}	117.9865	2.237	2	118.7657	4.347	7	116.8399	5.792	17	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){1|Zn<4>,1|C<3>}	118.3760	0.904	2	118.7657	4.347	7	116.8399	5.792	17	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:C[5a]-3:	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|H<1>}	116.3480	0.000	1	116.3480	0.000	1	116.8399	5.792	17	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	117.1018	3.293	6	117.1018	10.846	6	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	119.7160	0.000	1	119.7160	0.000	1	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	114.2240	0.000	1	114.2240	0.000	1	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	115.4581	1.373	8	115.4664	1.468	10	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	115.4995	0.064	2	115.4664	1.468	10	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<2>,1|H<1>}	118.6250	0.018	2	118.9447	1.432	6	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	119.1045	1.511	4	118.9447	1.432	6	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	117.5538	1.772	5	117.0854	2.784	7	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	115.9145	0.549	2	117.0854	2.784	7	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]2){1|C<3>,1|F<1>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	118.7740	0.243	2	118.7740	0.059	2	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	116.9170	1.846	6	116.9170	3.408	6	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	116.4480	3.827	2	116.4480	14.645	2	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	116.8145	0.175	2	116.8145	0.031	2	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	118.0557	2.156	67	118.0620	4.376	75	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	115.7900	0.740	2	118.0620	4.376	75	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|Ni<4>,1|C<3>}	117.9530	0.000	1	118.0620	4.376	75	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|Pd<4>,1|C<3>}	119.9530	0.000	1	118.0620	4.376	75	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	118.8580	0.240	4	118.0620	4.376	75	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]V)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]V){1|C<3>,1|H<1>}	117.5136	0.939	8	117.5136	0.882	8	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]V)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2){1|C<3>,1|C<4>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]V){1|C<3>,1|H<1>}	117.8607	0.759	4	117.8607	0.577	4	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	118.1360	2.448	2	118.1360	5.993	2	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	117.8107	1.454	4	117.8107	2.113	4	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	117.4766	1.706	43	117.6522	3.161	49	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>}	121.0835	0.323	2	117.6522	3.161	49	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	117.8237	1.204	4	117.6522	3.161	49	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]W)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]W){1|C<3>,1|H<1>}	116.5671	0.580	8	116.5671	0.336	8	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	117.6805	1.733	4	117.6805	3.002	4	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	121.3770	0.000	1	121.3770	0.000	1	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	115.3560	0.816	2	115.3560	0.666	2	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	117.9720	0.000	1	117.9720	0.000	1	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]N[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]N[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	113.5260	0.000	1	113.5260	0.000	1	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	115.5770	0.000	1	115.5770	0.000	1	117.5919	3.895	203	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,5a]-3:N[5a]-3:C-3:	C(C[5a]C[5,5a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5,5a]C[5,5a]N[5])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C(C[5a]C[5,5a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5,5a]C[5,5a]N[5])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	116.6460	3.039	2	116.6460	9.236	2	118.0425	5.907	4	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,5a]-3:N[5a]-3:C-3:	C(C[5a]C[5,5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5,5a]C[5,5a]N[5])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C(C[5a]C[5,5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5,5a]C[5,5a]N[5])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|H<1>,1|N<3>,2|C<3>}	119.4390	0.827	2	119.4390	0.684	2	118.0425	5.907	4	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C(C[5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|N<2>,3|C<3>}	121.7275	0.644	2	121.7275	0.415	2	120.2422	2.136	6	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C(C[5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|C<4>,1|N<3>,2|C<3>}	118.5450	0.000	2	119.4995	1.215	4	120.2422	2.136	6	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C(C[5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|N<3>,3|C<3>}	120.4540	0.000	2	119.4995	1.215	4	120.2422	2.136	6	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6,6]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6,6]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]Zn)(CC[5a]C[6a])	C(C[5a]C[5a,6,6]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[5a]Zn)(CC[5a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	117.1762	0.699	4	117.1762	0.489	4	117.1762	0.489	4	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6]-3:C-3:N[5a]-3:	C(C[5a]C[5a,6]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a,6]C[5a,6]C[6])(CC[5a]C[6a])(N[5a]C[5a]H)	C(C[5a]C[5a,6]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(CC[5a]C[6a])(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	117.6010	0.679	2	117.6010	0.461	2	117.6010	0.461	2	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C-3:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(C[5a]N[5a]H)	C(C[5a]C[5a,6a]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(C[5a]N[5a]H){2|C<3>,2|H<1>}	117.8490	0.000	1	117.8490	0.000	1	117.8490	0.000	1	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Ir)(CC[5a]C[6a])	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Ir)(CC[5a]C[6a]){1|H<1>,3|C<3>}	117.2820	0.000	1	117.2820	0.000	1	117.2820	0.000	1	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]Zn)(CC[5a]C[6a])	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]Zn)(CC[5a]C[6a]){1|N<2>,2|C<3>}	119.6050	0.682	2	119.6050	0.465	2	118.2161	4.362	25	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|N<2>,3|C<3>}	121.0740	0.946	2	121.0740	0.895	2	118.2161	4.362	25	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|N<3>,2|C<3>}	121.0355	0.172	2	121.0355	0.030	2	118.2161	4.362	25	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(CC[5a]C[6a])	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Cu)(CC[5a]C[6a]){1|H<1>,3|C<3>}	117.5418	2.090	9	117.5418	4.369	9	118.2161	4.362	25	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(CC[5a]C[6a])	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(CC[5a]C[6a]){1|H<1>,3|C<3>}	117.9532	1.715	4	117.9532	2.941	4	118.2161	4.362	25	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(CC[5a]C[6a])	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pd)(CC[5a]C[6a]){1|H<1>,3|C<3>}	116.9725	3.088	2	116.9725	9.535	2	118.2161	4.362	25	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C-3:	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pt)(CC[5a]C[6a])	C(C[5a]C[5a,6a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Pt)(CC[5a]C[6a]){1|H<1>,3|C<3>}	117.0847	0.665	4	117.0847	0.442	4	118.2161	4.362	25	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]2)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](C[5a]N[5a]C[5])(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]2)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](C[5a]N[5a]C[5])(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	116.4500	0.000	1	115.9575	0.485	2	118.5986	2.437	9	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]2)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](C[5a]N[5a]C[5])(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]2)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](C[5a]N[5a]C[5])(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	115.4650	0.000	1	115.9575	0.485	2	118.5986	2.437	9	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](C[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]N[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>}	119.1935	0.315	2	119.1935	0.099	2	118.5986	2.437	9	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](C[5a]C[5a]N[5a])(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]N[5a])(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	118.7940	0.000	1	118.7940	0.000	1	118.5986	2.437	9	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]N[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>}	119.8415	0.354	2	119.8415	0.126	2	118.5986	2.437	9	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]N[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>}	119.2420	0.000	1	119.2420	0.000	1	118.5986	2.437	9	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]N[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>}	119.3660	0.000	1	119.3660	0.000	1	118.5986	2.437	9	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](C[5a]C[5a]Br)(CC[5a]C[6a])(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]Br)(CC[5a]C[6a])(N[5a]C[5a]H){1|Br<1>,1|C<3>}	119.0710	0.000	1	119.0710	0.000	1	119.9381	3.943	28	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](C[5a]C[5a]C[5])(CC[5a]C[6a])(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]C[5])(CC[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	117.2205	0.706	2	117.2205	0.499	2	119.9381	3.943	28	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](C[5a]C[5a]C[6a])(CC[5a]C[6a])(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]C[6a])(CC[5a]C[6a])(N[5a]C[5a]H){4|C<3>}	119.7807	1.606	4	119.7807	2.579	4	119.9381	3.943	28	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](C[5a]C[5a]Cu)(CC[5a]C[6a])(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]Cu)(CC[5a]C[6a])(N[5a]C[5a]H){1|C<3>,1|H<1>}	122.0590	0.000	1	122.0590	0.000	1	119.9381	3.943	28	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](C[5a]C[5a]Ni)(CC[5a]C[6a])(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]Ni)(CC[5a]C[6a])(N[5a]C[5a]H){1|C<3>,1|H<1>}	120.0040	0.000	1	120.0040	0.000	1	119.9381	3.943	28	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](C[5a]C[5a]Pd)(CC[5a]C[6a])(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]Pd)(CC[5a]C[6a])(N[5a]C[5a]H){1|C<3>,1|H<1>}	119.5570	0.000	1	119.5570	0.000	1	119.9381	3.943	28	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a]C[5a]Br)(CC[5a]C[6a])(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]Br)(CC[5a]C[6a])(N[5a]C[5a]H){1|Br<1>,1|C<3>}	119.9255	1.063	4	119.9255	1.131	4	119.9381	3.943	28	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a]C[5a]C[6a])(CC[5a]C[6a])(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(CC[5a]C[6a])(N[5a]C[5a]H){4|C<3>}	119.5836	2.208	10	119.5836	4.873	10	119.9381	3.943	28	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a]C[5a]Co)(CC[5a]C[6a])(N[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]Co)(CC[5a]C[6a])(N[5a]C[5a]H){1|C<3>,1|H<1>}	120.6670	1.177	2	120.6670	1.384	2	119.9381	3.943	28	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a]C[5a]Mn)(CC[5a]C[6a])(N[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]Mn)(CC[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|H<1>}	124.1220	0.000	1	124.1220	0.000	1	119.9381	3.943	28	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C-3:N[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a]C[5a]Ni)(CC[5a]C[6a])(N[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]Ni)(CC[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|H<1>}	123.0190	0.000	1	123.0190	0.000	1	119.9381	3.943	28	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[5a]C[6a]){2|C<3>}	116.9580	0.000	1	116.9580	0.000	1	118.6879	2.901	100	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|H<1>,3|C<3>}	120.2050	0.000	1	120.2050	0.000	1	118.6879	2.901	100	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)(CC[5a]C[6a]){4|C<3>}	118.2670	0.000	1	118.2670	0.000	1	118.6879	2.901	100	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Fe)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Fe)(CC[5a]C[6a]){1|Br<1>,1|C<3>}	117.9764	0.985	28	117.9764	0.969	28	118.6879	2.901	100	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Mn)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Mn)(CC[5a]C[6a]){1|Br<1>,1|C<3>}	117.4525	2.265	6	117.4525	5.130	6	118.6879	2.901	100	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a]C[5a]B[5])(N[5a]C[5a]Cu)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]B[5])(N[5a]C[5a]Cu)(CC[5a]C[6a]){1|C<3>,1|H<1>,2|O<2>}	119.8690	0.000	2	119.8690	0.000	2	118.6879	2.901	100	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Fe)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Fe)(CC[5a]C[6a]){1|Br<1>,1|C<3>}	119.4865	0.559	6	119.4865	0.313	6	118.6879	2.901	100	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Ni)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|Br<1>,1|C<3>}	120.2408	1.628	6	120.2408	2.651	6	118.6879	2.901	100	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Zn)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]Br)(N[5a]C[5a]Zn)(CC[5a]C[6a]){1|Br<1>,1|C<3>}	118.6467	0.323	4	118.6467	0.104	4	118.6879	2.901	100	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Co)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Co)(CC[5a]C[6a]){4|C<3>}	121.2203	0.429	3	121.2203	0.184	3	118.6879	2.901	100	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Cu)(CC[5a]C[6a]){4|C<3>}	119.4784	1.831	10	119.4784	3.354	10	118.6879	2.901	100	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	119.0320	0.322	2	119.3765	0.765	4	118.6879	2.901	100	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Ni)(CC[5a]C[6a]){4|C<3>}	119.7210	1.310	2	119.3765	0.765	4	118.6879	2.901	100	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Sn)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Sn)(CC[5a]C[6a]){4|C<3>}	116.2883	1.916	4	116.2883	3.671	4	118.6879	2.901	100	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Zn)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]Zn)(CC[5a]C[6a]){4|C<3>}	116.9595	2.029	8	116.9595	4.117	8	118.6879	2.901	100	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]Ni)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]Cl)(N[5a]C[5a]Ni)(CC[5a]C[6a]){1|Cl<1>,1|C<3>}	119.8145	0.556	15	119.8145	0.309	15	118.6879	2.901	100	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Zn)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]Zn)(CC[5a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	118.6180	0.000	1	118.6180	0.000	1	118.6879	2.901	100	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a,5a]-3:C-3:C[5a]-3:	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a,5a]C[5a,5a]C[5,5a])(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a,5a]C[5a,5a]C[5,5a])(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	121.3800	0.000	1	121.3800	0.000	1	115.8068	14.187	16	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a,5a]-3:C-3:C[5a]-3:	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	119.3545	4.547	2	119.3545	20.679	2	115.8068	14.187	16	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a,5a]-3:C-3:C[5a]-3:	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a,5a]C[5a,5a]C[5a])(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a,5a]C[5a,5a]C[5a])(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	117.0430	0.281	2	117.0430	0.079	2	115.8068	14.187	16	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a,5a]-3:C-3:C[5a]-3:	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a,5a]C[5a,5a]2)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a,5a]C[5a,5a]2)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	112.6074	1.225	8	112.6074	1.501	8	115.8068	14.187	16	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a,5a]-3:C-3:C[5a]-3:	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(CC[5a]2)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	120.7000	0.000	1	120.7000	0.000	1	115.8068	14.187	16	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a,5a]-3:C-3:C[5a]-3:	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a,5a]C[5a,5a]C[5a])(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a,5a]C[5a,5a]C[5a])(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	117.8970	0.000	1	117.8970	0.000	1	115.8068	14.187	16	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a,5a]-3:C-3:C[5a]-3:	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a,5a]C[5a,5a]2)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a,5a]C[5a,5a]2)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	119.2780	0.000	1	119.2780	0.000	1	115.8068	14.187	16	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a,6]-3:C-3:C[5a]-3:	C(C[5a]N[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a,6]C[5a,6]C[6])(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	115.9110	0.000	1	116.6925	1.221	2	115.1320	3.676	4	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a,6]-3:C-3:C[5a]-3:	C(C[5a]N[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a,6]C[5a,6]C[6])(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(CC[5a]C[6a])(C[5a]C[5a]H){1|Re<6>,1|H<1>,2|C<3>}	117.4740	0.000	1	116.6925	1.221	2	115.1320	3.676	4	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a,6]-3:C-3:C[5a]-3:	C(C[5a]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a,6]C[5a,6]B[6])(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,6]C[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|H<2>,1|N<3>,2|C<3>}	113.5715	0.260	2	113.5715	0.067	2	115.1320	3.676	4	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C-3:C[5a]-3:	C(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	113.6640	0.000	1	114.1855	0.544	2	114.1855	0.544	2	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C-3:C[5a]-3:	C(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a])(C[5a]C[5a]H){1|Re<6>,1|H<1>,2|C<3>}	114.7070	0.000	1	114.1855	0.544	2	114.1855	0.544	2	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5,5a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5,5a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	121.5055	2.637	2	121.5055	6.953	2	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	114.6320	0.393	2	114.6320	0.155	2	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a,5a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.6395	1.743	4	118.6395	3.038	4	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	115.6510	0.000	1	115.6510	0.000	1	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	115.1980	0.235	2	115.1980	0.055	2	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.9495	0.880	4	116.9495	0.775	4	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a,6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	115.5860	0.000	1	115.5860	0.000	1	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.6245	0.073	2	118.6245	0.005	2	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	115.1200	0.864	2	115.1200	0.747	2	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	113.6620	0.000	1	113.6620	0.000	1	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	120.7385	0.599	2	120.7385	0.359	2	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Hg)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Hg)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	119.3120	0.000	1	119.3120	0.000	1	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	123.1740	0.000	1	123.1740	0.000	1	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	120.2480	0.000	1	120.2480	0.000	1	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	120.9950	0.000	1	120.9950	0.000	1	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	119.6290	0.000	1	119.6290	0.000	1	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	120.9347	1.333	3	120.9347	1.776	3	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.2235	2.398	2	117.2235	5.749	2	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	115.5820	0.526	2	115.5820	0.277	2	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])(C[5a]N[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])(C[5a]N[5a]O[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.6100	0.000	1	118.6100	0.000	1	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[5a]2)	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(CC[5a]2){1|C<3>,1|H<1>,1|S<2>}	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	116.5645	0.111	2	116.5645	0.012	2	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5a]2){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.6455	1.765	4	117.6455	3.116	4	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5a]2){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.1088	0.454	4	117.1088	0.206	4	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(CC[5a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)2(CC[5a]2){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.5913	2.335	6	118.5913	5.454	6	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)2(CC[5a]2)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.3840	1.639	4	118.3840	2.688	4	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Al)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Al)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>}	116.9450	0.643	6	116.9450	0.413	6	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Al)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Al)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.2735	2.546	2	117.2735	6.484	2	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.8408	2.463	6	116.8245	4.227	10	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	116.8000	1.602	4	116.8245	4.227	10	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.2616	0.752	11	117.2951	0.551	14	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>}	117.2670	1.146	2	117.2951	0.551	14	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){2|C<3>}	117.7190	0.000	1	117.2951	0.551	14	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.4607	1.410	28	117.4847	2.284	38	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	115.3135	1.224	2	117.4847	2.284	38	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>}	118.1114	1.548	8	117.4847	2.284	38	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	116.3503	0.674	4	116.3503	0.454	4	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.3281	1.649	30	118.6174	1.999	61	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>}	118.4202	0.455	4	118.6174	1.999	61	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>}	120.9520	0.000	1	118.6174	1.999	61	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>}	119.0761	0.772	16	118.6174	1.999	61	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|P<4>}	118.7562	1.617	4	118.6174	1.999	61	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	118.4905	1.548	6	118.6174	1.999	61	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]N)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]N){1|C<3>,1|H<1>}	120.8730	0.000	1	120.8730	0.000	1	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.5001	0.996	12	117.5917	0.899	14	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>}	118.1415	0.292	2	117.5917	0.899	14	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.7580	0.164	2	117.9240	0.360	6	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>}	117.8145	0.334	2	117.9240	0.360	6	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	118.1995	1.196	2	117.9240	0.360	6	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.5757	1.418	8	117.5757	2.012	8	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>}	116.0940	1.236	6	116.0583	0.620	16	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>}	116.0403	0.515	6	116.0583	0.620	16	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){2|C<4>}	116.0315	0.333	4	116.0583	0.620	16	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|C<4>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	115.9830	0.000	1	116.7054	2.137	17	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|Br<1>,1|C<3>}	116.1560	0.000	1	116.7054	2.137	17	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.4293	1.992	7	116.7054	2.137	17	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	116.2309	0.765	8	116.7054	2.137	17	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	113.8363	2.471	6	113.8363	6.107	6	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.3897	0.573	8	116.5796	1.661	14	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	115.4995	1.186	6	116.5796	1.661	14	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5a]2)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.8724	1.283	12	117.8724	1.647	12	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.1075	0.623	2	118.1075	0.388	2	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Au)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Au)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<2>,1|C<3>}	116.9500	0.689	4	116.9500	0.475	4	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Au)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Au)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.9830	0.045	2	116.9830	0.002	2	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]F)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]F){1|C<3>,1|F<1>}	118.6234	0.983	12	118.6234	0.967	12	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.3692	1.042	16	118.3013	0.959	22	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){2|C<3>}	117.7065	0.916	2	118.3013	0.959	22	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.3270	0.863	4	118.3013	0.959	22	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Cr)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Cr)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.8775	1.930	6	117.1225	4.631	8	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Cr)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Cr)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	114.8575	0.323	2	117.1225	4.631	8	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>}	115.3295	0.544	4	115.3295	0.296	4	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.1877	1.123	20	118.0367	1.677	21	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	115.0170	0.000	1	118.0367	1.677	21	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.5410	0.736	20	117.5118	1.240	66	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	117.0590	0.826	2	117.5118	1.240	66	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.5191	1.268	44	117.5118	1.240	66	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.0227	0.593	3	115.8615	0.338	4	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>}	115.3780	0.000	1	115.8615	0.338	4	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Mg)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Mg)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.2447	0.295	4	116.2447	0.087	4	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.5148	1.678	32	117.5148	2.817	32	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Mo)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Mo)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.7962	1.153	6	117.7962	1.330	6	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	118.6977	1.197	4	118.6977	1.432	4	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.3160	1.592	48	117.9457	2.962	58	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|O<2>}	117.1015	1.326	2	117.9457	2.962	58	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	115.9351	1.044	8	117.9457	2.962	58	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Os)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Os)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.5085	0.502	10	116.5085	0.252	10	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.4841	1.276	18	117.4519	1.354	22	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>}	117.3072	0.466	4	117.4519	1.354	22	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]F)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]F){1|C<3>,1|F<1>}	118.2100	0.859	8	118.2100	0.737	8	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.0663	0.723	6	117.0663	0.523	6	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]O[5a]O)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]O[5a]O){1|C<3>}	120.2740	0.000	1	120.2740	0.000	1	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.5630	2.157	2	116.8950	2.402	4	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	116.2270	0.878	2	116.8950	2.402	4	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.5215	0.985	15	116.6603	1.403	23	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.9205	1.533	8	116.6603	1.403	23	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Sb)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Sb)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.6860	1.035	6	116.6860	1.072	6	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.4937	1.384	18	117.4937	1.917	18	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.7631	1.115	11	116.7024	1.053	14	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|O<2>}	116.5090	0.000	1	116.7024	1.053	14	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	116.4655	1.036	2	116.7024	1.053	14	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.3727	0.634	8	118.3727	0.402	8	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.8384	1.076	60	117.8384	1.157	60	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.8582	1.324	8	116.8582	1.752	8	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.9454	1.328	16	118.9454	1.764	16	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2)	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.8933	1.292	6	116.8933	1.668	6	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.1355	3.129	2	117.1355	9.790	2	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.4172	0.722	16	118.4172	0.521	16	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	116.8912	1.772	6	116.8912	3.141	6	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.6103	1.813	8	117.6103	3.288	8	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2)	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2){1|C<3>,1|H<1>,1|O<2>}	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.7210	4.107	2	116.7210	16.866	2	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2)	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2){1|C<3>,1|H<1>,1|O<2>}	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.7140	1.404	2	116.7140	1.972	2	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	116.5363	2.073	24	116.5363	4.299	24	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.5751	2.552	16	117.5883	4.452	24	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.6146	0.821	8	117.5883	4.452	24	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.3447	1.104	24	117.3447	1.219	24	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5a]2){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	118.5000	1.495	2	118.5000	2.234	2	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5a]2)	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5a]2){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.5323	0.525	8	116.5323	0.275	8	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ag)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ag)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.8024	0.456	16	116.8024	0.208	16	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Al)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Al)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.6877	1.177	12	117.6877	1.385	12	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Au)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Au)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.5480	0.662	15	117.5480	0.438	15	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Cd)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Cd)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.4894	0.191	7	116.6211	0.136	11	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Cd)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|N<2>,2|H<1>}	C[5a](N[5a]C[5a]Cd)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.8515	0.520	4	116.6211	0.136	11	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.5292	1.191	121	118.1300	1.471	195	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	117.6347	0.931	3	118.1300	1.471	195	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	117.4336	0.958	49	118.1300	1.471	195	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.3590	0.980	6	118.1300	1.471	195	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|N<2>,2|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	117.2507	0.729	16	118.1300	1.471	195	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]N)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]N){1|C<3>,1|N<3>}	117.7780	0.000	1	117.7780	0.000	1	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	118.7210	1.154	12	118.9923	2.549	18	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>}	120.8365	1.375	4	118.9923	2.549	18	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>}	116.9320	0.148	2	118.9923	2.549	18	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,1|H<1>,1|S<3>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	117.5012	0.675	4	117.6714	1.491	195	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|C<4>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	119.2542	1.424	4	117.6714	1.491	195	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|C<4>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){2|C<3>}	117.5565	0.118	2	117.6714	1.491	195	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|B<3>,1|C<3>}	118.8450	0.000	2	117.6714	1.491	195	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.7486	1.290	129	117.6714	1.491	195	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	117.8910	0.000	1	117.6714	1.491	195	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|H<1>}	116.0050	0.194	2	117.6714	1.491	195	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	117.3622	0.936	43	117.6714	1.491	195	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|N<2>,2|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.9470	0.938	2	117.6714	1.491	195	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|N<2>,2|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	117.0242	0.597	6	117.6714	1.491	195	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]N)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]N){1|C<3>,1|O<2>}	119.4710	0.000	1	119.4710	0.000	1	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|C<4>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	118.3789	0.513	8	118.8501	1.935	50	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	118.9399	1.489	42	118.8501	1.935	50	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|C<4>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.1270	0.079	2	117.9933	0.729	313	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.0294	0.838	299	117.9933	0.729	313	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	117.4603	0.467	3	117.9933	0.729	313	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	117.7687	0.692	3	117.9933	0.729	313	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|N<2>,2|H<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	117.1933	0.956	6	117.9933	0.729	313	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]N)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]N){1|C<3>,1|H<1>}	120.7198	1.267	8	120.7198	1.604	8	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Hg)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Hg)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.7785	1.502	13	116.7785	2.255	13	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.4701	1.148	179	117.3326	1.618	215	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ir)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	116.6490	1.616	36	117.3326	1.618	215	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Li)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Li)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.8237	2.220	11	117.8237	4.927	11	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	117.8640	0.875	4	117.8640	0.765	4	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.8714	1.072	179	117.8316	1.182	184	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	116.1762	0.282	4	117.8316	1.182	184	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>}	117.3180	0.000	1	117.8316	1.182	184	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Mo)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Mo)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.7851	0.819	46	116.7899	0.647	54	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Mo)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|N<2>,2|H<1>}	C[5a](N[5a]C[5a]Mo)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.8174	0.769	8	116.7899	0.647	54	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<2>,1|C<3>}	117.4228	1.406	8	118.8746	4.402	27	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	119.2151	1.384	14	118.8746	4.402	27	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>}	119.9760	0.000	1	118.8746	4.402	27	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>}	116.8635	0.144	2	118.8746	4.402	27	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]C){2|C<4>}	123.7595	0.402	2	118.8746	4.402	27	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<2>,1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	119.3680	1.383	4	118.6282	1.774	342	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|C<4>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	119.3377	1.648	36	118.6282	1.774	342	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|C<4>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){2|C<3>}	119.0834	1.370	7	118.6282	1.774	342	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.6507	1.216	245	118.6282	1.774	342	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<3>}	116.6240	0.000	1	118.6282	1.774	342	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	116.5770	1.431	7	118.6282	1.774	342	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){2|C<3>}	118.8860	0.000	1	118.6282	1.774	342	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	118.3109	1.014	33	118.6282	1.774	342	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|N<2>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.5705	0.235	4	118.6282	1.774	342	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|N<2>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	116.0337	0.480	4	118.6282	1.774	342	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]N)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]N){1|C<3>,1|H<1>}	118.7320	0.000	1	118.7320	0.000	1	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Os)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Os)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.9026	0.977	32	116.9026	0.954	32	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	118.5400	1.392	4	118.5400	1.938	4	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.8268	1.020	46	117.7374	1.485	66	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	117.3917	1.906	10	117.7374	1.485	66	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|N<2>,2|H<1>}	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.3670	0.444	2	117.7374	1.485	66	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|N<2>,2|H<1>}	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	117.4979	1.412	8	117.7374	1.485	66	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<2>,1|C<3>}	120.5695	0.518	4	119.4577	3.333	6	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	117.2340	1.013	2	119.4577	3.333	6	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.2340	1.932	2	117.3900	1.569	66	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.3159	1.252	58	117.3900	1.569	66	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	116.9975	1.346	2	117.3900	1.569	66	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){3|C<3>}	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.2392	0.863	4	117.3900	1.569	66	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.1804	1.591	33	117.4748	2.518	57	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	116.5048	0.955	24	117.4748	2.518	57	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	116.9914	0.909	10	116.9914	0.826	10	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.5970	1.096	210	117.5538	1.165	227	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	117.7850	0.700	2	117.5538	1.165	227	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Rh)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	116.9179	0.616	15	117.5538	1.165	227	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|C<4>}	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	116.7130	0.168	2	116.7130	0.028	2	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.3015	1.102	125	117.2620	1.177	137	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	116.8504	0.814	12	117.2620	1.177	137	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Sb)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Sb)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.2736	1.565	36	117.2736	2.448	36	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	116.3003	0.578	4	116.3003	0.334	4	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.8627	1.019	131	116.7957	0.933	159	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	116.7305	0.844	4	116.7957	0.933	159	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|N<2>,2|H<1>}	C[5a](N[5a]C[5a]Sn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.4407	0.541	24	116.7957	0.933	159	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ti)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ti)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.6261	0.615	8	117.6261	0.378	8	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	118.0407	1.430	12	117.4267	2.233	20	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>}	116.1793	1.032	6	117.4267	2.233	20	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|O<2>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	117.4855	0.851	2	117.4267	2.233	20	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|C<2>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	115.7405	1.102	2	117.1860	1.524	314	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|C<4>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.4454	0.817	10	117.1860	1.524	314	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|Br<1>,1|C<3>}	116.9010	0.000	1	117.1860	1.524	314	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.2636	1.299	237	117.1860	1.524	314	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<3>}	117.3700	0.000	1	117.1860	1.524	314	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	116.6073	0.461	6	117.1860	1.524	314	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>}	118.5495	0.835	2	117.1860	1.524	314	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>}	118.0580	0.792	2	117.1860	1.524	314	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	116.5844	0.911	27	117.1860	1.524	314	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|O<2>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.2695	0.606	2	117.1860	1.524	314	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|N<2>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.2079	1.032	20	117.1860	1.524	314	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|N<2>,2|H<1>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	116.3450	0.466	4	117.1860	1.524	314	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.1615	1.522	2	118.1615	2.318	2	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	118.9491	1.171	11	118.9491	1.371	11	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(CC[5a]2)	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.9967	1.039	8	116.9967	1.079	8	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(CC[5a]2)	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(CC[5a]2){1|C<3>,2|C<4>}	C[5a](N[5a]C[5a]Zn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.0045	2.403	2	117.0045	5.777	2	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[5a]2)	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pd)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	120.3483	4.058	3	120.3483	16.467	3	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2)	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]2){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Ni)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.2675	0.863	2	117.2675	0.745	2	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Mn)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	113.6180	0.000	1	113.6180	0.000	1	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	113.1247	0.607	3	113.1247	0.368	3	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,5a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ru)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	112.4730	0.796	4	112.4730	0.634	4	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]N[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,6]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	115.5360	0.000	1	115.5360	0.000	1	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]N[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Re)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	114.3660	0.000	1	114.3660	0.000	1	117.6597	2.004	3734	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5,5a]Ni)(C[5a]C[5,5a]H)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5,5a]Ni)(C[5a]C[5,5a]H)(CC[5a]C[6a]){1|C<3>,1|C<4>}	119.0575	3.204	2	119.0575	10.265	2	119.5664	2.461	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a,6]Ni)(C[5a]C[5a,6]H)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6]Ni)(C[5a]C[5a,6]H)(CC[5a]C[6a]){2|C<3>}	118.3385	0.148	2	118.3385	0.022	2	119.5664	2.461	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5a]2)	C[5a](N[5a]C[5a,6]Ni)(C[5a]C[5a,6]H)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6]Ni)(C[5a]C[5a,6]H)(CC[5a]C[6a]){2|C<3>}	118.6850	0.062	2	118.6850	0.004	2	119.5664	2.461	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5,5a]Zn)(C[5a]C[5,5a]H)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5,5a]Zn)(C[5a]C[5,5a]H)(CC[5a]C[6a]){2|C<3>}	118.1275	0.507	2	118.1275	0.257	2	119.5664	2.461	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a,5a]Mn)(C[5a]C[5a,5a]H)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,5a]Mn)(C[5a]C[5a,5a]H)(CC[5a]C[6a]){1|C<3>,1|N<3>}	121.3000	0.000	1	121.3000	0.000	1	119.5664	2.461	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a,5a]Re)(C[5a]C[5a,5a]H)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,5a]Re)(C[5a]C[5a,5a]H)(CC[5a]C[6a]){1|C<3>,1|N<3>}	120.1343	0.427	3	120.1343	0.183	3	119.5664	2.461	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a,5a]Ru)(C[5a]C[5a,5a]H)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,5a]Ru)(C[5a]C[5a,5a]H)(CC[5a]C[6a]){1|C<3>,1|N<3>}	120.8715	0.734	4	120.8715	0.538	4	119.5664	2.461	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a,6]Ni)(C[5a]C[5a,6]H)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6]Ni)(C[5a]C[5a,6]H)(CC[5a]C[6a]){1|C<3>,1|N<3>}	119.7030	2.814	2	119.7030	7.920	2	119.5664	2.461	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a,6]Ni)(C[5a]C[5a,6]N)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6]Ni)(C[5a]C[5a,6]N)(CC[5a]C[6a]){2|C<3>}	120.6293	0.904	3	120.6293	0.817	3	119.5664	2.461	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a,6]Zn)(C[5a]C[5a,6]H)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6]Zn)(C[5a]C[5a,6]H)(CC[5a]C[6a]){2|C<3>}	117.5635	0.777	2	117.5635	0.604	2	119.5664	2.461	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[6])	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[6]){1|C<3>,1|H<1>}	113.0156	0.636	5	113.0156	0.405	5	113.0156	0.405	5	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6])	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[6])	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[6]){1|C<3>,1|H<1>}	118.8800	0.764	8	118.8800	0.583	8	118.4915	0.922	11	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6])	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[6])	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[6]){1|C<3>,1|H<1>}	117.1110	0.024	2	117.1110	0.001	2	118.4915	0.922	11	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6]N[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6])	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[6])	C(C[5a]C[5a]N[5a])(C[6]N[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[6]){1|C<3>,1|H<1>}	118.1450	0.000	1	118.1450	0.000	1	118.4915	0.922	11	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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,5a]-3:C[5a]-3:C-3:	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[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)(CC[6a]C)	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[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]C)(CC[6a]C){1|C<4>,3|C<3>}	117.9350	0.000	1	117.9350	0.000	1	117.9350	0.000	1	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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,6a]-3:C[5a]-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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C)	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	116.1210	0.000	1	116.1210	0.000	1	116.9145	2.725	17	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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,6a]-3:C[5a]-3:C-3:	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C)	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C){1|C<4>,1|H<1>,4|C<3>}	115.6760	0.000	1	115.6760	0.000	1	116.9145	2.725	17	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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,6a]-3:C[5a]-3:C-3:	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C)	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	117.8250	0.000	1	118.0227	0.067	3	116.9145	2.725	17	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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,6a]-3:C[5a]-3:C-3:	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C)	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C){2|C<3>,2|H<1>}	118.1215	0.274	2	118.0227	0.067	3	116.9145	2.725	17	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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,6a]-3:C[5a]-3:C-3:	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CC[6a]C)	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	121.0100	0.000	1	121.0100	0.000	1	116.9145	2.725	17	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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,6a]-3:C[5a]-3:C-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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(CC[6a]C)	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C[5])(CC[6a]C){2|H<1>,4|C<3>}	113.4230	0.000	1	113.4230	0.000	1	116.9145	2.725	17	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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,6a]-3:C[5a]-3:C-3:	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]C)	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]C){1|H<1>,1|S<4>,2|C<3>}	116.0837	0.732	3	116.5470	1.216	4	116.9145	2.725	17	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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,6a]-3:C[5a]-3:C-3:	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]C)	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(CC[6a]C){2|C<3>,2|H<1>}	117.9370	0.000	1	116.5470	1.216	4	116.9145	2.725	17	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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,6a]-3:C[5a]-3:C-3:	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C)	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C){1|H<1>,3|C<3>}	115.4890	0.000	1	115.6445	0.048	2	116.9145	2.725	17	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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,6a]-3:C[5a]-3:C-3:	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C)	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C){2|C<3>,2|H<1>}	115.8000	0.000	1	115.6445	0.048	2	116.9145	2.725	17	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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,6a]-3:C[5a]-3:C-3:	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CC[6a]C)	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CC[6a]C){1|H<1>,2|C<3>}	117.2600	0.000	1	117.2600	0.000	1	116.9145	2.725	17	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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,6a]-3:C[5a]-3:C-3:	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C)	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C){1|C<4>,1|H<1>,4|C<3>}	117.4280	0.000	2	117.4280	0.000	2	116.9145	2.725	17	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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,6a]-3:C[5a]-3:C-3:	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CC[6a]C)	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[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CC[6a]C){1|H<1>,2|C<3>}	117.6550	0.000	1	117.6550	0.000	1	116.9145	2.725	17	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C)	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[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C){1|C<4>,1|H<1>,4|C<3>}	116.7590	0.000	1	116.7590	0.000	1	116.9527	1.080	7	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CC[6a]C)	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[5a](C[5a]C[5a]H)(C[5a]O[5a]C)(CC[6a]C){1|C<3>}	114.9460	0.000	1	114.9460	0.000	1	116.9527	1.080	7	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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[5a]-3:C-3:	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[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[6a]C)	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[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(CC[6a]C){1|H<1>}	117.3480	0.000	1	117.3480	0.000	1	116.9527	1.080	7	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(CC[6a]C)	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[5a](C[5a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C[6a])(CC[6a]C){6|C<3>}	117.9430	0.000	1	117.9430	0.000	1	116.9527	1.080	7	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]C)	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[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)(CC[6a]C){1|H<1>,3|C<3>}	117.9650	0.000	1	117.9650	0.000	1	116.9527	1.080	7	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]C)	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[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(CC[6a]C){4|C<3>}	116.8540	0.482	2	116.8540	0.233	2	116.9527	1.080	7	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:N[5a]-3:C-3:	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[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C)	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[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C){2|H<1>}	115.1720	0.000	1	115.1720	0.000	1	116.9257	4.944	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:N[5a]-3:C-3:	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[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]C)	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[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]C){2|C<3>}	118.0320	0.595	2	118.0320	0.354	2	116.9257	4.944	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:N[5a]-3:C-3:	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[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C)	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[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C){2|C<3>}	118.4640	0.000	1	118.4640	0.000	1	116.9257	4.944	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:N[5a]-3:C-3:	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[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]C)	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[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]C){2|C<4>}	119.6240	0.000	1	119.6240	0.000	1	116.9257	4.944	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:N[5a]-3:C-3:	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[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CC[6a]C)	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[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(CC[6a]C){1|H<1>,3|C<3>}	118.7800	0.000	1	118.7800	0.000	1	116.9257	4.944	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:N[5a]-3:C-3:	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[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]C)	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[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]C){2|C<3>}	116.5900	0.000	1	116.5900	0.000	1	116.9257	4.944	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:N[5a]-3:C-3:	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[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C)	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[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C){2|C<3>}	118.6933	0.921	3	118.6933	0.847	3	116.9257	4.944	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:N[5a]-3:C-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[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CC[6a]C)	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[5a](C[5a]N[5a]H)(N[5a]C[5a]C)(CC[6a]C){1|C<3>}	116.6260	0.000	1	116.6260	0.000	1	116.9257	4.944	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:N[5a]-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[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CC[6a]C)	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[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(CC[6a]C){2|C<3>}	115.6730	0.000	1	115.6730	0.000	1	116.9257	4.944	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:N[5a]-3:C-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[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C)	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[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C){1|C<3>,1|H<1>}	113.3270	0.000	1	112.6697	0.387	3	116.9257	4.944	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:N[5a]-3:C-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[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C)	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[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C){1|C<3>,1|H<1>}	112.3410	0.354	2	112.6697	0.387	3	116.9257	4.944	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:N[5a]-3:C-3:	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[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C)	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[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C){2|C<3>}	117.5290	0.000	1	117.5290	0.000	1	116.9257	4.944	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:N[5a]-3:C-3:	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[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C)	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[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(CC[6a]C){1|C<3>,1|H<1>}	114.9950	0.000	1	114.9950	0.000	1	116.9257	4.944	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:N[5a]-3:C-3:	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[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]C)	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[5a](C[5a]C[5a]C)(N[5a]C[5a]C)(CC[6a]C){2|C<3>}	118.5420	0.000	1	118.5420	0.000	1	116.9257	4.944	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:N[5a]-3:C-3:	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[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CC[6a]C)	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[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(CC[6a]C){1|H<1>,5|C<3>}	117.9800	0.000	1	117.9800	0.000	1	116.9257	4.944	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:N[5a]-3:C-3:	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[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]C)	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[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]C){2|C<3>}	116.2330	0.000	1	116.2330	0.000	1	116.9257	4.944	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:N[5a]-3:C-3:	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[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]C)	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[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(CC[6a]C){2|C<3>}	119.5840	0.000	1	119.5840	0.000	1	116.9257	4.944	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:N[5a]-3:C-3:	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[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C)	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[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(CC[6a]C){2|C<3>}	118.4550	0.000	1	118.4550	0.000	1	116.9257	4.944	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:N[5a]-3:C-3:	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[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]C)	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[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(CC[6a]C){2|C<3>}	114.8910	0.000	1	114.8910	0.000	1	116.9257	4.944	23	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:	N[5a,6]-3:C[5a]-3:C-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[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]C)	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[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(CC[6a]C){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	114.7730	0.000	1	114.7730	0.000	1	114.7730	0.000	1	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:	N[5a]-3:C[5a]-3:C-3:	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[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C)	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[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C){1|C<3>,1|H<1>}	118.3960	0.304	2	118.3960	0.092	2	118.8257	1.992	6	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:	N[5a]-3:C[5a]-3:C-3:	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[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]C)	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[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)(CC[6a]C){2|C<3>,2|H<1>}	117.5415	0.414	2	117.5415	0.171	2	118.8257	1.992	6	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	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:	N[5a]-3:C[5a]-3:C-3:	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[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C)	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[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C){1|C<3>,1|H<1>}	120.5395	0.395	2	120.5395	0.156	2	118.8257	1.992	6	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(C[5]C[5]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(C[5]C[5]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]C[5]){2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	117.8165	0.940	2	118.3800	1.394	3	118.3800	1.394	3	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(C[5]C[5]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(C[5]C[5]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]C[5]){2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,1|H<1>}	119.5070	0.000	1	118.3800	1.394	3	118.3800	1.394	3	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]2)(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<3>,2|C<3>}	115.7800	0.000	1	115.7800	0.000	1	115.7800	0.000	1	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	114.0880	0.000	1	114.0880	0.000	1	116.5490	7.294	9	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	116.1010	0.000	1	116.1010	0.000	1	116.5490	7.294	9	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	116.9646	2.912	7	116.9646	8.481	7	116.5490	7.294	9	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a,5a]-3:C[5a]-3:C-3:	C(C[5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5a](N[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5a](N[5a,5a]C[5a,5a]2)(C[5a]C[5a]H)(CC[6a]C[5]){1|H<1>,1|N<3>,2|C<3>}	117.5655	0.514	2	117.5655	0.264	2	117.5655	0.264	2	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	118.1820	0.000	1	118.1820	0.000	1	118.5977	4.123	19	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	121.2140	0.000	1	121.2140	0.000	1	118.5977	4.123	19	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Li)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Li)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	121.5490	0.000	1	121.5490	0.000	1	118.5977	4.123	19	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	119.7715	0.227	2	120.4815	0.869	4	118.5977	4.123	19	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Mn)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<4>,1|H<1>}	121.1915	0.733	2	120.4815	0.869	4	118.5977	4.123	19	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	119.0850	1.669	3	119.0850	2.785	3	118.5977	4.123	19	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	117.8492	0.649	4	117.8492	0.422	4	118.5977	4.123	19	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	117.6080	0.454	2	117.6080	0.206	2	118.5977	4.123	19	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	116.3310	0.000	1	116.3310	0.000	1	118.5977	4.123	19	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	115.1435	0.858	2	115.1435	0.736	2	118.5977	4.123	19	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]C[6])	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[6a]C[6])	C(C[5a]C[5a]2)(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]C[6]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(CC[6a]C[6]){1|H<1>}	114.1445	0.021	2	114.1445	0.000	2	114.1445	0.000	2	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6])	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[6a]C[6])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Fe)(C[5a]C[5a]H)(CC[6a]C[6]){1|C<3>,1|H<1>}	122.0095	0.244	2	122.0095	0.060	2	122.0095	0.060	2	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:C-3:	C(C[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]2)	C(C[5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(CC[6a]2){1|S<2>,2|H<1>,3|C<3>}	121.9545	3.002	2	121.9545	9.010	2	121.9545	9.010	2	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CC[6a]2)	C(C[5a]C[5a]2)(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)(CC[6a]2){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	121.6580	1.444	2	121.6580	2.085	2	121.6580	2.085	2	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]2)	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]2){1|C<3>,1|H<1>}	123.4990	0.361	2	123.4990	0.130	2	120.5536	17.306	11	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]2)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]2){1|C<3>,1|H<1>}	128.2200	0.000	1	128.2200	0.000	1	120.5536	17.306	11	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]C)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]2)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]2){1|C<3>,1|H<1>}	118.5520	2.740	3	118.5520	7.506	3	120.5536	17.306	11	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]2)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]2){1|C<3>,1|H<1>}	116.6100	0.929	3	119.0432	14.593	5	120.5536	17.306	11	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]2)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]2){1|C<3>,1|H<1>}	122.6930	3.499	2	119.0432	14.593	5	120.5536	17.306	11	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]C)2	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[6a]2)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[6a]2){1|C<3>,1|H<1>}	117.8975	0.218	2	117.8975	0.048	2	117.8053	0.114	7	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]C)2	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CC[6a]2)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CC[6a]2){1|C<3>,1|H<1>}	118.0830	0.000	1	118.0830	0.000	1	117.8053	0.114	7	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]2)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]2){1|C<3>,1|H<1>}	117.9745	0.207	2	117.9745	0.043	2	117.8053	0.114	7	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]2)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]2){1|C<3>,1|H<1>}	117.4050	0.352	2	117.4050	0.124	2	117.8053	0.114	7	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]C[6a])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]2)	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]C[6a]){2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]2){1|C<3>,1|H<1>}	116.6075	0.053	2	116.6075	0.003	2	116.6075	0.003	2	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(CC[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]2)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(CC[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]2){1|C<3>,1|H<1>}	124.6855	0.081	2	124.6855	0.007	2	126.3803	8.621	3	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(CC[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]2)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(CC[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]2){1|C<3>,1|H<1>}	129.7700	0.000	1	129.7700	0.000	1	126.3803	8.621	3	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]Cu)(CC[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[6a]2)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]Cu)(CC[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a]Cu)(C[5a]C[5a]H)(CC[6a]2){1|C<3>,1|H<1>}	122.1010	0.181	2	122.1010	0.033	2	123.1119	2.946	7	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Ni)(CC[5a]C[6a])(C[6a]C[6a]O)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]2)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Ni)(CC[5a]C[6a])(C[6a]C[6a]O){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]2){1|C<3>,1|H<1>}	121.4925	0.558	2	121.4925	0.311	2	123.1119	2.946	7	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pd)(CC[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]2)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pd)(CC[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a]Pd)(C[5a]C[5a]H)(CC[6a]2){1|C<3>,1|H<1>}	124.4965	0.071	2	124.4965	0.005	2	123.1119	2.946	7	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(CC[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CC[6a]2)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(CC[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a]Pt)(C[5a]C[5a]H)(CC[6a]2){1|C<3>,1|H<1>}	125.6030	0.000	1	125.6030	0.000	1	123.1119	2.946	7	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]Co)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]Co)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>}	118.3485	0.416	6	118.3485	0.173	6	118.1180	0.752	21	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]Fe)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]Fe)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>}	118.1130	2.438	2	118.1130	5.944	2	118.1180	0.752	21	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]Ni)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]Ni)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>}	117.6443	0.976	3	117.6443	0.952	3	118.1180	0.752	21	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]Ru)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]N)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]Ru)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5a]N){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>}	116.6640	0.000	1	116.6640	0.000	1	118.1180	0.752	21	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]Ru)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NC[6a]Ru)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>}	118.5990	0.494	3	118.5990	0.244	3	118.1180	0.752	21	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCoC)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCoC)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>}	118.4420	0.307	2	118.4420	0.094	2	118.1180	0.752	21	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCuC)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NCuC)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>}	117.8100	0.165	2	117.8100	0.027	2	118.1180	0.752	21	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NNiC)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NNiC)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>}	117.2630	0.000	1	117.2630	0.000	1	118.1180	0.752	21	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NZnC)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(NZnC)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(CC[6a]N){1|C<3>}	119.0000	0.000	1	119.0000	0.000	1	118.1180	0.752	21	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NNiN)	C[6a](C[6a]C[6a]H)2(CC[5a]N)	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]N)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(NNiN)	C[6a](C[6a]C[6a]H)2(CC[5a]N){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]N){1|C<3>,1|H<1>}	121.4540	0.000	1	121.4540	0.000	1	121.4540	0.000	1	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[5a]C[5])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[5a]C[5]){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|C<4>}	120.0940	0.000	1	120.0940	0.000	1	120.0940	0.000	1	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]C[5])	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]C[5]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	121.7910	0.000	1	121.7910	0.000	1	118.2583	10.858	3	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]C[5])	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5])	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]C[5]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	116.4920	1.731	2	116.4920	2.996	2	118.2583	10.858	3	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[4,6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[6a]C[4,6a]C[6a])(C[5a]C[5a]N[5a])2	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C)	C(C[6a]C[4,6a]C[6a])(C[5a]C[5a]N[5a])2	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(CC[5a]2){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>}	117.5703	1.569	4	117.5703	2.463	4	117.5703	2.463	4	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C-3:C[5a]-3:N[5a]-3:	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[5a]2)	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[5a]2){1|H<1>,3|C<3>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	116.9075	1.743	4	116.9075	3.038	4	116.9075	3.038	4	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[5a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[5a]2){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.7135	0.428	2	117.7135	0.183	2	117.7135	0.183	2	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6,6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[5a]2)	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[5a]2){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a]Cu)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.3461	2.846	8	116.3461	8.099	8	116.0125	3.824	26	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6,6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[5a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[5a]2){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>}	115.6180	1.322	16	115.8643	2.213	18	116.0125	3.824	26	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6,6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[5a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[5a]2){2|C<3>,2|C<4>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.8345	1.643	2	115.8643	2.213	18	116.0125	3.824	26	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]2)	C[5a](N[5a]C[5a]Au)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]2){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]Au)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	116.9105	1.187	2	116.9105	1.410	2	116.9130	0.461	6	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]2)	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]2){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Co)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	117.0435	0.566	2	117.0435	0.321	2	116.9130	0.461	6	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	N[5a]-3:C-3:C[5a]-3:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]2)	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]2){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Fe)(CC[5a]C[6a])(C[5a]C[5a]H){2|H<1>}	116.7850	0.713	2	116.7850	0.508	2	116.9130	0.461	6	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]2)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]2){1|C<3>,1|H<1>}	117.4290	0.000	1	117.4290	0.000	1	117.4290	0.000	1	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[6a]2)	C(C[6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](CC[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[6a]2){1|C<3>,1|H<1>}	116.2435	0.669	4	116.2435	0.447	4	116.2435	0.447	4	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]O[5])(CC[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[6a]2)	C(C[6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]O[5])(CC[5a]C[6a])(C[6a]C[6a]H){1|Re<6>,1|H<1>,3|C<3>}	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[6a]2){1|C<3>,1|H<1>}	129.7795	0.435	2	129.7795	0.189	2	130.4733	0.816	4	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5,6a]-3:C-3:C[6a]-3:	N[5a]-3:C[5a]-3:C-3:	C(C[6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]S[5])(CC[5a]C[6a])(C[6a]C[6a]H)	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[6a]2)	C(C[6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]S[5])(CC[5a]C[6a])(C[6a]C[6a]H){1|Re<6>,1|H<1>,3|C<3>}	C[5a](N[5a]C[5a]Re)(C[5a]C[5a]H)(CC[6a]2){1|C<3>,1|H<1>}	131.1670	0.577	2	131.1670	0.333	2	130.4733	0.816	4	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C-3:C[6a]-3:	C[5a]-3:N[5a]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(CC[5a]C[6a])(C[6a]C[6a]H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]2)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(CC[5a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(CC[6a]2){1|C<3>,1|H<1>}	127.4660	0.000	1	127.4660	0.000	1	127.4660	0.000	1	117.6392	2.895	5064	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-4:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2)	C[5a](N[5a]C[5a]Li2)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Li2)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	119.0207	0.561	4	119.0207	0.314	4	118.6668	1.303	6	118.6668	1.303	6	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-4:C-3:C[5a]-3:	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2)	C[5a](N[5a]C[5a]Li2)(CC[5a]C[6a])(C[5a]C[5a]H)	C(C[5a]C[5a]N[5a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]2){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Li2)(CC[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>}	117.9590	2.017	2	117.9590	4.067	2	118.6668	1.303	6	118.6668	1.303	6	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:4:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]2Ru)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]2Ru)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ni)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	117.5685	1.399	2	117.5685	1.958	2	118.1993	1.624	4	118.1993	1.624	4	118.0524	6.311	5887	118.0524	6.311	5887
930	643	727	0:SP2_SP2_SP2	C	C[6a]	C[5a]	3:4:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-3:C[5a]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]2Ru)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CC[6a]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]2Ru)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a]Ru)(C[5a]C[5a]H)(CC[6a]C[5]){1|C<3>,1|H<1>}	118.8300	1.150	2	118.8300	1.322	2	118.1993	1.624	4	118.1993	1.624	4	118.0524	6.311	5887	118.0524	6.311	5887