762	762	921	0:SP2_SP2_SP3	C[6]	C[6]	Se	3:2:2:	3:3:2:	3:2:	C[6]-3:Se[6]-2:Se-2:	C[6]-3:C[6a]-3:Se[6]-2:	C[6]-3:Se-2:	C[6](C[6]C[6a]Se[6])(Se[6]C[6])(SeSe)	C[6](C[6]Se[6]Se)(C[6a]C[6a]2)(Se[6]Se[6])	Se(C[6]Se[6]C[6])(SeC)	C[6](C[6]C[6a]Se[6])(Se[6]C[6])(SeSe){1|Se<2>,3|C<3>}	C[6](C[6]Se[6]Se)(C[6a]C[6a]2)(Se[6]Se[6]){2|C<4>,3|C<3>}	Se(C[6]Se[6]C[6])(SeC)	117.1730	0.000	1	117.1730	0.000	1	117.1730	0.000	1	117.1730	0.000	1	120.1880	27.945	24	120.1880	27.945	24
762	762	921	0:SP2_SP2_SP3	C[6]	C[6]	Se	3:3:2:	2:3:3:	3:3:	C[6]-3:C[6]-3:Se-2:	Se[6]-2:C[6a]-3:C[6]-3:	C[6a]-3:C[6]-3:	C[6](C[6]C[6a]Se[6])(C[6]C[6,6a]C)(SeC[6a])	C[6](Se[6]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]Se)	Se(C[6a]C[6a]2)(C[6]C[6]2)	C[6](C[6]C[6a]Se[6])(C[6]C[6,6a]C)(SeC[6a]){4|C<3>}	C[6](Se[6]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]Se){2|H<1>,5|C<3>}	Se(C[6a]C[6a]2)(C[6]C[6]2)	117.5670	0.000	1	117.5670	0.000	1	117.5670	0.000	1	117.5670	0.000	1	120.1880	27.945	24	120.1880	27.945	24
762	762	921	0:SP2_SP2_SP3	C[6]	C[6]	Se	3:3:2:	3:2:1:	3:3:	C[6]-3:C[6]-3:Se-2:	C[6]-3:C[6]-2:H-1:	C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)2(SeC[6a])	C[6](C[6]C[6]Se)(C[6]C[6])(H)	Se(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)	C[6](C[6]C[6]H)2(SeC[6a]){1|C<3>,1|H<1>}	C[6](C[6]C[6]Se)(C[6]C[6])(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)	122.6090	0.000	1	122.6090	0.000	1	119.8745	14.955	2	119.8745	14.955	2	120.1880	27.945	24	120.1880	27.945	24
762	762	921	0:SP2_SP2_SP3	C[6]	C[6]	Se	3:3:2:	3:2:1:	3:3:	C[6]-3:C[6]-3:Se-2:	C[6]-3:C[6]-2:H-1:	C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)2(SeC[6a])	C[6](C[6]C[6]Se)(C[6]C[6])(H)	Se(C[6a]C[6a]2)(C[6]C[6]2)	C[6](C[6]C[6]H)2(SeC[6a]){1|C<3>,1|H<1>}	C[6](C[6]C[6]Se)(C[6]C[6])(H){1|C<3>,2|H<1>}	Se(C[6a]C[6a]2)(C[6]C[6]2)	117.1400	0.000	1	117.1400	0.000	1	119.8745	14.955	2	119.8745	14.955	2	120.1880	27.945	24	120.1880	27.945	24
762	762	921	0:SP2_SP2_SP3	C[6]	C[6]	Se	3:3:2:	3:3:1:	3:1:	C[6]-3:N[6]-3:Se-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:Cl-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(SeCl)	C[6](C[6]N[6]Se)(C[6]C[6]H)(H)	Se(C[6]C[6]N[6])(Cl)	C[6](C[6]C[6]H)(N[6]C[6]O)(SeCl){1|C<3>,2|H<1>}	C[6](C[6]N[6]Se)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	Se(C[6]C[6]N[6])(Cl)	136.8460	0.000	1	136.8460	0.000	1	136.8460	0.000	1	136.8460	0.000	1	120.1880	27.945	24	120.1880	27.945	24
762	762	921	0:SP2_SP2_SP3	C[6]	C[6]	Se	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:Se-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:Se-2:	C[6](C[6]C[6]H)2(SeSe)	C[6](C[6]C[6]Se)(C[6]N[6]H)(H)	Se(C[6]C[6]2)(SeC[6])	C[6](C[6]C[6]H)2(SeSe){1|N<3>,2|H<1>}	C[6](C[6]C[6]Se)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	Se(C[6]C[6]2)(SeC[6])	120.2193	4.235	4	120.2193	17.932	4	120.2193	17.932	4	118.9814	21.110	5	120.1880	27.945	24	120.1880	27.945	24
762	762	921	0:SP2_SP2_SP3	C[6]	C[6]	Se	3:3:2:	3:3:1:	3:2:	C[6]-3:C[6]-3:Se-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:Se-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(SeSe)	C[6](C[6]C[6]Se)(C[6]C[6]H)(O)	Se(C[6]C[6]2)(SeC[6])	C[6](C[6]C[6]H)(C[6]C[6]O)(SeSe){1|H<1>,3|C<3>}	C[6](C[6]C[6]Se)(C[6]C[6]H)(O){1|C<4>,2|H<1>}	Se(C[6]C[6]2)(SeC[6])	114.0300	0.000	1	114.0300	0.000	1	114.0300	0.000	1	118.9814	21.110	5	120.1880	27.945	24	120.1880	27.945	24
762	762	921	0:SP2_SP2_SP3	C[6]	C[6]	Se	3:3:2:	3:3:1:	3:3:	C[6]-3:C[6]-3:Se-2:	C[6,6a]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(SeC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Se)(O)	Se(C[6a]C[6a]2)(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(SeC[6a]){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Se)(O){2|H<1>,3|C<3>}	Se(C[6a]C[6a]2)(C[6]C[6]2)	111.1260	0.000	1	111.1260	0.000	1	111.1260	0.000	1	118.5905	37.368	6	120.1880	27.945	24	120.1880	27.945	24
762	762	921	0:SP2_SP2_SP3	C[6]	C[6]	Se	3:3:2:	3:3:1:	3:3:	C[6]-3:C[6]-3:Se-2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(SeC[6a])	C[6](C[6]C[6,6a]O)(C[6]C[6]Se)(H)	Se(C[6a]C[6a]2)(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(SeC[6a]){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Se)(H){1|O<1>,2|C<3>}	Se(C[6a]C[6a]2)(C[6]C[6]2)	127.2410	0.000	1	127.2410	0.000	1	123.5563	14.749	3	118.5905	37.368	6	120.1880	27.945	24	120.1880	27.945	24
762	762	921	0:SP2_SP2_SP3	C[6]	C[6]	Se	3:3:2:	3:3:1:	3:3:	C[6]-3:C[6]-3:Se-2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)2(SeC[6a])	C[6](C[6]C[6]Se)(C[6]C[6]H)(H)	Se(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)	C[6](C[6]C[6]H)2(SeC[6a]){1|C<3>,1|H<1>}	C[6](C[6]C[6]Se)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	Se(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)	119.5770	0.000	1	119.5770	0.000	1	123.5563	14.749	3	118.5905	37.368	6	120.1880	27.945	24	120.1880	27.945	24
762	762	921	0:SP2_SP2_SP3	C[6]	C[6]	Se	3:3:2:	3:3:1:	3:3:	C[6]-3:C[6]-3:Se-2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)2(SeC[6a])	C[6](C[6]C[6]Se)(C[6]C[6]H)(H)	Se(C[6a]C[6a]2)(C[6]C[6]2)	C[6](C[6]C[6]H)2(SeC[6a]){1|C<3>,1|H<1>}	C[6](C[6]C[6]Se)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	Se(C[6a]C[6a]2)(C[6]C[6]2)	123.8510	0.000	1	123.8510	0.000	1	123.5563	14.749	3	118.5905	37.368	6	120.1880	27.945	24	120.1880	27.945	24
762	762	921	0:SP2_SP2_SP3	C[6]	C[6]	Se	3:3:2:	3:3:1:	3:3:	N[6]-3:C[6]-3:Se-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]Sn)(C[6]C[6]H)(SeC[6])	C[6](C[6]N[6]Se)(C[6]C[6]H)(H)	Se(C[6]C[6]N[6])2	C[6](N[6]C[6]Sn)(C[6]C[6]H)(SeC[6]){1|C<3>,2|H<1>}	C[6](C[6]N[6]Se)(C[6]C[6]H)(H){1|Sn<6>,1|C<3>,1|H<1>}	Se(C[6]C[6]N[6])2	114.8740	0.140	2	114.8740	0.020	2	114.8740	0.020	2	118.5905	37.368	6	120.1880	27.945	24	120.1880	27.945	24
762	762	921	0:SP2_SP2_SP3	C[6]	C[6]	Se	3:3:2:	3:3:3:	3:3:	C[6]-3:C[6]-3:Se-2:	C[6,6a]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:	C[6](C[6]C[6a]Se[6])(C[6]C[6,6a]C)(SeC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Se)(CHH)	Se(C[6a]C[6a]2)(C[6]C[6]2)	C[6](C[6]C[6a]Se[6])(C[6]C[6,6a]C)(SeC[6a]){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Se)(CHH){1|Se<2>,1|H<1>,3|C<3>}	Se(C[6a]C[6a]2)(C[6]C[6]2)	117.6070	0.000	1	117.6070	0.000	1	117.6070	0.000	1	117.6070	0.000	1	120.1880	27.945	24	120.1880	27.945	24
762	762	921	0:SP2_SP2_SP3	C[6]	C[6]	Se	3:3:2:	3:4:1:	3:3:	C[6,6a]-3:C[6]-3:Se-2:	C[6]-3:C[6]-4:I-1:	C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(SeC[6a])	C[6](C[6]C[6,6a]Se)(C[6]O[6]HH)(I)	Se(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(SeC[6a]){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]Se)(C[6]O[6]HH)(I){2|C<3>}	Se(C[6]C[6,6a]C[6])(C[6a]C[6a]2)	122.5240	0.000	1	122.5240	0.000	1	122.5240	0.000	1	122.5240	0.000	1	120.1880	27.945	24	120.1880	27.945	24
762	762	921	0:SP2_SP2_SP3	C[6]	C[6]	Se	3:3:2:	4:3:1:	3:2:	C[6]-3:C[6]-3:Se-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:Se-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(SeSe)	C[6](C[6]C[6a]2C[6])(C[6]C[6]Se)(H)	Se(C[6]C[6]2)(SeC[6])	C[6](C[6]C[6]H)(C[6]C[6]O)(SeSe){1|H<1>,3|C<3>}	C[6](C[6]C[6a]2C[6])(C[6]C[6]Se)(H){1|H<1>,1|O<1>,5|C<3>}	Se(C[6]C[6]2)(SeC[6])	124.7200	0.000	1	124.7200	0.000	1	124.7200	0.000	1	124.7200	0.000	1	120.1880	27.945	24	120.1880	27.945	24
762	762	921	0:SP2_SP2_SP3	C[6]	C[6]	Se	3:4:2:	3:3:3:	3:3:	C[6]-3:C[6]-4:Se-2:	N[5a,6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6]-3:	C[6](C[6]N[5a,6]C[6a])(C[6]S[6]HH)(SeC[6a])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]Se)	Se(C[6a]C[6a]2)(C[6]C[6]2)	C[6](C[6]N[5a,6]C[6a])(C[6]S[6]HH)(SeC[6a]){4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]Se){1|N<2>,1|S<2>,4|C<3>,4|H<1>}	Se(C[6a]C[6a]2)(C[6]C[6]2)	119.6290	0.481	3	119.6290	0.231	3	119.6290	0.231	3	119.6290	0.231	3	120.1880	27.945	24	120.1880	27.945	24
762	762	921	0:SP2_SP2_SP3	C[6]	C[6]	Se	3:4:2:	4:3:3:	3:3:	C[6]-3:C[6]-4:Se-2:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6]-3:	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(SeC[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]Se)	Se(C[6a]C[6a]2)(C[6]C[6]2)	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(SeC[6a]){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]Se){1|C<4>,2|O<2>,4|C<3>,5|H<1>}	Se(C[6a]C[6a]2)(C[6]C[6]2)	120.3140	0.000	1	121.4940	2.785	2	121.4940	2.785	2	121.4940	2.785	2	120.1880	27.945	24	120.1880	27.945	24
762	762	921	0:SP2_SP2_SP3	C[6]	C[6]	Se	3:4:2:	4:3:3:	3:3:	C[6]-3:C[6]-4:Se-2:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6a]-3:C[6]-3:	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(SeC[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]Se)	Se(C[6a]C[6a]2)(C[6]C[6]2)	C[6](C[6]C[6,6]C[6a])(C[6]O[6]HH)(SeC[6a]){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]Se){1|Se<2>,1|C<4>,1|O<2>,4|C<3>,5|H<1>}	Se(C[6a]C[6a]2)(C[6]C[6]2)	122.6740	0.000	1	121.4940	2.785	2	121.4940	2.785	2	121.4940	2.785	2	120.1880	27.945	24	120.1880	27.945	24
762	762	922	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:3:2:	3:3:1:	4:3:1:	C[6]-3:S[6]-3:N-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(S[6]C[6]O)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N)(O)	S[6](C[6]C[6,6a]HH)(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(S[6]C[6]O)(NN){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	S[6](C[6]C[6,6a]HH)(C[6]C[6]N)(O){1|O<1>,2|C<3>}	126.0780	0.000	1	126.0780	0.000	1	126.0780	0.000	1	126.0780	0.000	1	123.1951	3.393	19	123.1951	3.393	19
762	762	922	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:3:3:	3:3:4:	3:3:1:	S[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6](S[6]C[6,6a]O)(C[6]N[6]C)(COO)	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](S[6]C[6,6a]O)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3){1|O<1>,2|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.2960	0.024	2	123.2960	0.001	2	123.2960	0.001	2	123.2960	0.001	2	123.1951	3.393	19	123.1951	3.393	19
762	762	922	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:3:3:	3:4:1:	3:3:1:	C[6a]-3:C[6]-3:S[6]-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]O)	C[6](C[6]C[6a]S[6])(C[6]C[6]CC)(H)	S[6](C[6]C[6a]C[6])2(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]O){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]S[6])(C[6]C[6]CC)(H){1|H<1>,1|O<1>,3|C<3>}	S[6](C[6]C[6a]C[6])2(O){1|C<4>,2|H<1>,4|C<3>}	123.9029	0.670	8	123.9029	0.449	8	123.9029	0.449	8	123.9029	0.449	8	123.1951	3.393	19	123.1951	3.393	19
762	762	922	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:3:3:	4:3:1:	3:3:1:	C[6a]-3:C[6]-3:S[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]O)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(H)	S[6](C[6]C[6a]C[6])2(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]O){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]S[6])(H){1|H<1>,1|O<1>,5|C<3>}	S[6](C[6]C[6a]C[6])2(O){1|C<4>,2|H<1>,4|C<3>}	123.8885	0.624	4	123.8885	0.389	4	123.8885	0.389	4	123.8885	0.389	4	123.1951	3.393	19	123.1951	3.393	19
762	762	922	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:3:3:	4:3:1:	3:3:3:	S[6]-3:C[6]-3:C-3:	B[6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6](S[6]C[6a]C[6])(C[6]B[6]H)(CCC)	C[6](B[6]C[6a]2C[6])(C[6]S[6]C)(H)	S[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](S[6]C[6a]C[6])(C[6]B[6]H)(CCC){6|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]S[6]C)(H){7|C<3>}	S[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|B<4>,3|H<1>,5|C<3>}	119.1010	0.000	1	119.1010	0.000	1	119.1010	0.000	1	118.8090	0.171	2	123.1951	3.393	19	123.1951	3.393	19
762	762	922	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:3:3:	4:3:1:	3:3:3:	S[6]-3:C[6a]-3:C[6]-3:	B[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6](S[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]B[6]H)	C[6](B[6]C[6a]2C[6])(C[6]C[6a]S[6])(H)	S[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](S[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]B[6]H){2|H<1>,8|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]C[6a]S[6])(H){9|C<3>}	S[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|B<4>,3|H<1>,7|C<3>}	118.5170	0.000	1	118.5170	0.000	1	118.5170	0.000	1	118.8090	0.171	2	123.1951	3.393	19	123.1951	3.393	19
762	762	922	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:3:3:	4:3:3:	3:3:3:	C[6]-3:S[6]-3:C[6a]-3:	B[6]-4:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6]C[6a]B[6])(S[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](B[6]C[6a]2C[6])(C[6]C[6a]S[6])(C[6a]C[6a]2)	S[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](C[6]C[6a]B[6])(S[6]C[6a]C[6])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[6](B[6]C[6a]2C[6])(C[6]C[6a]S[6])(C[6a]C[6a]2){10|C<3>,1|H<1>,2|F<1>}	S[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|B<4>,3|H<1>,7|C<3>}	121.6250	0.000	1	121.6250	0.000	1	121.6250	0.000	1	121.8210	0.077	2	123.1951	3.393	19	123.1951	3.393	19
762	762	922	6:SP2_SP2_SP3	C[6]	C[6]	S[6]	3:3:3:	4:3:3:	3:3:3:	C[6]-3:S[6]-3:C[6a]-3:	B[6]-4:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]B[6])(S[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](B[6]C[6a]2C[6])(C[6]C[6a]S[6])(C[6a]C[6a]2)	S[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]B[6])(S[6]C[6a]C[6])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[6](B[6]C[6a]2C[6])(C[6]C[6a]S[6])(C[6a]C[6a]2){10|C<3>,1|H<1>,2|F<1>}	S[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|B<4>,3|H<1>,5|C<3>}	122.0170	0.000	1	122.0170	0.000	1	122.0170	0.000	1	121.8210	0.077	2	123.1951	3.393	19	123.1951	3.393	19
762	762	924	0:SP2_SP-NON_SP2	C[6,6]	C[3x6]	Br	4:3:1:	4:3:4:	3:	C[3x6]-4:C[3x6]-3:Br-1:	C[4x6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6])(Br)	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]Br)(C[6]C[6]HH)	Br(C[6,6]C[3x6]2)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6])(Br){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[3x6]Br)(C[6]C[6]HH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	Br(C[6,6]C[3x6]2)	122.9830	0.000	1	122.9830	0.000	1	122.9830	0.000	1	122.9830	0.000	1	122.9830	0.000	1	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6,6]	C[6,6]	Br	4:3:1:	4:3:1:	3:	C[3x6]-4:C[6,6]-3:Br-1:	C[3x6]-4:C[6,6]-3:Br-1:	C[6,6]-3:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br)(Br)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br)(Br)	Br(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br)(Br){2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]Br)(Br){2|H<1>,3|C<3>}	Br(C[6,6]C[3x6]C[6,6])	126.1395	0.523	2	126.1395	0.273	2	126.1395	0.273	2	125.0334	2.386	5	124.7566	1.906	7	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6,6]	C[6,6]	Br	4:3:1:	4:3:1:	3:	C[3x6]-4:C[6,6]-3:Br-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(Br)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]Br)(H)	Br(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(Br){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]Br)(H){2|C<3>,2|C<4>,2|H<1>}	Br(C[6,6]C[3x6]C[6,6])	123.0570	0.000	1	123.0570	0.000	1	124.2960	2.597	3	125.0334	2.386	5	124.7566	1.906	7	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6,6]	C[6,6]	Br	4:3:1:	4:3:1:	3:	C[3x6]-4:C[6,6]-3:Br-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(Br)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]Br)(H)	Br(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(Br){1|C<3>,1|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]Br)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	Br(C[6,6]C[3x6]C[6,6])	126.1180	0.000	1	126.1180	0.000	1	124.2960	2.597	3	125.0334	2.386	5	124.7566	1.906	7	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6,6]	C[6,6]	Br	4:3:1:	4:3:1:	3:	C[3x6]-4:C[6,6]-3:Br-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(Br)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]Br)(H)	Br(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(Br){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]Br)(H){1|O<1>,1|S<2>,2|C<4>,2|H<1>}	Br(C[6,6]C[3x6]C[6,6])	123.7130	0.000	1	123.7130	0.000	1	124.2960	2.597	3	125.0334	2.386	5	124.7566	1.906	7	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6,6]	C[6,6]	Br	4:3:1:	4:3:4:	3:	C[3x6]-4:C[6,6]-3:Br-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(Br)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]Br)(CH3)	Br(C[6,6]C[3x6]C[6,6])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(Br){2|C<4>,2|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]Br)(CH3){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	Br(C[6,6]C[3x6]C[6,6])	124.0645	0.740	2	124.0645	0.548	2	124.0645	0.548	2	124.0645	0.548	2	124.7566	1.906	7	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[3x6]	Br	3:4:1:	4:4:3:	3:	C[3x6]-3:C[6]-4:Br-1:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[6]-3:	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(Br)	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br)	Br(C[6]C[3x6]C[6])	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(Br){1|C<3>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]Br){2|C<4>,3|C<3>,6|H<1>}	Br(C[6]C[3x6]C[6])	121.5645	0.114	2	121.5645	0.013	2	121.5645	0.013	2	121.5645	0.013	2	121.5645	0.013	2	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6,6]	Br	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6]-3:Br-1:	N[6,6]-3:N[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]N[6,6]N[6])(C[6]N[6]H)(Br)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]Br)	Br(C[6]C[6,6]C[6])	C[6](C[6,6]N[6,6]N[6])(C[6]N[6]H)(Br){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]Br){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	Br(C[6]C[6,6]C[6])	122.2180	0.000	1	122.2180	0.000	1	122.2180	0.000	1	122.2180	0.000	1	120.4251	1.680	9	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6,6]	Br	3:3:1:	4:3:3:	3:	C[6,6]-3:C[6]-3:Br-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(Br)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(C[6]C[6]H)	Br(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(Br){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	Br(C[6]C[6,6]C[6])	118.0390	0.000	1	118.0390	0.000	1	119.3723	0.835	4	119.3723	0.835	4	120.4251	1.680	9	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6,6]	Br	3:3:1:	4:3:3:	3:	C[6,6]-3:C[6]-3:Br-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(Br)	C[6,6](C[6,6]C[6]N[6]Dy)(C[6]C[6]Br)(C[6]C[6]H)	Br(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(Br){1|Dy<13>,1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6,6](C[6,6]C[6]N[6]Dy)(C[6]C[6]Br)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>}	Br(C[6]C[6,6]C[6])	119.8167	0.260	3	119.8167	0.068	3	119.3723	0.835	4	119.3723	0.835	4	120.4251	1.680	9	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6,6]	Br	3:4:1:	4:4:3:	3:	C[6,6]-3:C[6]-4:Br-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(Br)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]Br)	Br(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(Br){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]Br){1|C<4>,2|C<3>,6|H<1>}	Br(C[6]C[6,6]C[6])	120.6600	0.305	3	120.6600	0.093	3	120.6600	0.093	3	120.6600	0.093	3	120.4251	1.680	9	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6,6]	Br	4:3:1:	4:3:4:	3:	C[5,6]-4:C[6,6]-3:Br-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(Br)	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]Br)(C[6]C[6]HH)	Br(C[6]C[5,6]C[6,6])	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(Br){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5,6]Br)(C[6]C[6]HH){3|C<4>,7|H<1>}	Br(C[6]C[5,6]C[6,6])	122.1390	0.000	1	122.1390	0.000	1	122.1390	0.000	1	122.1390	0.000	1	120.4251	1.680	9	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	2:3:1:	3:3:1:	3:	C[6]-2:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6a])(C[6]C[6]H)(Br)	C[6](C[6]C[6,6a]H)(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a])(C[6]C[6]H)(Br){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]Br)(H){2|C<3>}	Br(C[6]C[6]2)	119.3810	0.000	1	119.3810	0.000	1	119.3810	0.000	1	119.3810	0.000	1	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:2:1:	3:3:1:	3:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(Br){1|H<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|O<2>}	Br(C[6]C[6]2)	119.6960	0.000	1	119.6960	0.000	1	118.9597	0.389	4	118.5027	0.718	10	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:2:1:	3:3:1:	3:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(Br){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	Br(C[6]C[6]2)	119.0780	0.000	1	118.7143	0.223	3	118.9597	0.389	4	118.5027	0.718	10	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:2:1:	3:3:1:	3:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){2|C<3>}	Br(C[6]C[6]2)	118.5325	0.497	2	118.7143	0.223	3	118.9597	0.389	4	118.5027	0.718	10	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:2:1:	3:3:1:	3:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)2(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]C[6])(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)2(O){1|C<3>,1|H<1>}	Br(C[6]C[6]2)	116.8980	0.000	1	116.8980	0.000	1	116.8980	0.000	1	118.5027	0.718	10	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]O)(N[6]C[6])(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(O)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]O)(N[6]C[6])(Br){1|C<3>,2|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(O){1|C<3>,1|H<1>}	Br(C[6]C[6]N[6])	119.0700	0.000	1	119.0700	0.000	1	119.0700	0.000	1	118.5027	0.718	10	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6])(Br)	C[6](C[6]N[6]Br)(N[6]C[6]Co)(H)	Br(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6])(Br){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Br)(N[6]C[6]Co)(H){1|C<3>,1|H<1>}	Br(C[6]C[6]N[6])	118.7810	0.000	1	118.7810	0.000	1	118.3050	0.469	4	118.5027	0.718	10	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6])(Br)	C[6](C[6]N[6]Br)(N[6]C[6]Ni)(H)	Br(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6])(Br){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Br)(N[6]C[6]Ni)(H){1|C<3>,1|H<1>}	Br(C[6]C[6]N[6])	118.8490	0.000	1	118.8490	0.000	1	118.3050	0.469	4	118.5027	0.718	10	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:2:1:	3:3:1:	3:	C[6]-3:N[6]-2:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6])(Br)	C[6](C[6]N[6]Br)(N[6]C[6]Re)(H)	Br(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6])(Br){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Br)(N[6]C[6]Re)(H){1|C<3>,1|N<3>}	Br(C[6]C[6]N[6])	117.7950	0.602	2	117.7950	0.363	2	118.3050	0.469	4	118.5027	0.718	10	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:2:1:	3:3:2:	3:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)2(OH)	Br(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]C[6])(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)2(OH){1|C<3>,1|H<1>}	Br(C[6]C[6]2)	119.1430	0.000	1	118.8965	0.122	2	118.8965	0.122	2	118.8965	0.122	2	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:2:1:	3:3:2:	3:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)2(OH)	Br(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]C[6])(Br){1|Br<1>,1|C<3>,1|S<4>}	C[6](C[6]C[6]Br)2(OH){1|C<3>,1|H<1>}	Br(C[6]C[6]2)	118.6500	0.000	1	118.8965	0.122	2	118.8965	0.122	2	118.8965	0.122	2	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:2:1:	3:3:3:	3:	C[6]-3:C[6]-2:Br-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:	C[6](C[6]N[6]N)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	Br(C[6]C[6]2)	C[6](C[6]N[6]N)(C[6]C[6])(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>}	Br(C[6]C[6]2)	118.6540	0.000	1	118.6540	0.000	1	118.6540	0.000	1	118.6540	0.000	1	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:2:1:	4:3:2:	3:	C[6]-3:O[6]-2:Br-1:	C[6]-4:C[6]-3:C-2:	C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(Br)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]Br)(CN)	Br(C[6]C[6]O[6])	C[6](C[6]C[6]C)(O[6]C[6])(Br){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]Br)(CN){4|C<3>}	Br(C[6]C[6]O[6])	123.7000	0.000	1	123.7000	0.000	1	123.7000	0.000	1	123.7000	0.000	1	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6])(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6]C[6]2)	119.6610	0.000	1	119.6610	0.000	1	119.6610	0.000	1	119.7728	1.633	6	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:	C[6](C[6]N[6]H)2(Br)	C[6](C[6]C[6]Br)(N[6]C[6])(H)	Br(C[6]C[6]2)	C[6](C[6]N[6]H)2(Br){1|Co<6>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6])(H){1|N<3>,2|H<1>}	Br(C[6]C[6]2)	120.4720	0.000	1	120.8227	0.094	3	120.8227	0.094	3	119.7728	1.633	6	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:	C[6](C[6]N[6]H)2(Br)	C[6](C[6]C[6]Br)(N[6]C[6])(H)	Br(C[6]C[6]2)	C[6](C[6]N[6]H)2(Br){1|Ru<5>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>}	Br(C[6]C[6]2)	120.9980	0.058	2	120.8227	0.094	3	120.8227	0.094	3	119.7728	1.633	6	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:2:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-2:O-1:	C[6]-3:	C[6](C[6]N[6]H)(C[6]N[6]O)(Br)	C[6](C[6]C[6]Br)(N[6]C[6])(O)	Br(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]N[6]O)(Br){1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(N[6]C[6])(O){1|H<1>,1|N<3>,1|O<1>}	Br(C[6]C[6]2)	118.1040	0.000	1	118.1040	0.000	1	118.1040	0.000	1	119.7728	1.633	6	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:2:1:	3:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6])(H)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,1|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6])(H){1|C<3>,2|H<1>}	Br(C[6]C[6]N[6])	118.4040	0.000	1	118.4040	0.000	1	118.4040	0.000	1	119.7728	1.633	6	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:2:3:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-2:N-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(Br)	C[6](C[6]C[6]Br)(C[6]C[6])(NC[6]H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]N)(Br){1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6])(NC[6]H){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	119.0420	0.000	1	119.0420	0.000	1	119.0420	0.000	1	119.0420	0.000	1	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[5,6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[5,6]C[3,5,6]C[5])(C[6]C[6,6a]O)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]Br)(O)	Br(C[6]C[5,6]C[6])	C[6](C[5,6]C[3,5,6]C[5])(C[6]C[6,6a]O)(Br){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]Br)(O){1|H<1>,2|C<3>,2|C<4>}	Br(C[6]C[5,6]C[6])	116.2470	0.000	1	116.2470	0.000	1	116.7370	0.480	2	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[5,6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]Br)(O)	Br(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(Br){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]Br)(O){1|C<4>,1|H<1>,3|C<3>}	Br(C[6]C[5,6]C[6])	117.2270	0.000	1	117.2270	0.000	1	116.7370	0.480	2	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6,6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(Br)	C[6](C[6]C[6,6]Br)(C[6]C[6]Br)(H)	Br(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(Br){1|Dy<13>,1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]Br)(C[6]C[6]Br)(H){1|Dy<13>,1|C<3>,1|C<4>,1|O<2>}	Br(C[6]C[6,6]C[6])	118.3713	0.427	3	118.3713	0.182	3	118.3713	0.182	3	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6,6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6,6]N[6,6]N[6])(C[6]N[6]H)(Br)	C[6](C[6]C[6,6]Br)(N[6]C[6]C)(H)	Br(C[6]C[6,6]C[6])	C[6](C[6,6]N[6,6]N[6])(C[6]N[6]H)(Br){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]Br)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	Br(C[6]C[6,6]C[6])	118.7210	0.000	1	118.7210	0.000	1	118.7210	0.000	1	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6,6a]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Br)	C[6](C[6]C[6,6a]Br)(C[6]N[6]H)(H)	Br(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Br){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]Br)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	Br(C[6]C[6,6a]C[6])	118.8187	0.731	6	118.8187	0.534	6	118.8187	0.534	6	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[5a,6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[5a,6]O)(C[6]C[6]C)(Br)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[5a,6]O)(C[6]C[6]C)(Br){1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]Br)(O){1|C<4>,4|C<3>}	Br(C[6]C[6]2)	114.1600	0.000	1	114.1600	0.000	1	114.1600	0.000	1	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Br)(O){1|C<3>,2|C<4>,3|H<1>}	Br(C[6]C[6]2)	115.7110	0.000	1	115.6195	0.017	2	115.6195	0.017	2	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Br)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	Br(C[6]C[6]2)	115.5280	0.000	1	115.6195	0.017	2	115.6195	0.017	2	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(Br){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	Br(C[6]C[6]2)	121.6955	0.526	8	121.7875	0.258	10	121.4593	1.014	20	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(Br){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	Br(C[6]C[6]2)	122.1555	0.217	2	121.7875	0.258	10	121.4593	1.014	20	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(Br){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H){1|N<3>,2|C<3>,2|H<1>}	Br(C[6]C[6]2)	121.1311	1.281	10	121.1311	1.642	10	121.4593	1.014	20	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<3>}	Br(C[6]C[6]2)	115.0750	0.229	3	115.0354	0.190	5	114.8302	1.895	20	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|Br<1>,1|I<1>,3|C<3>}	Br(C[6]C[6]2)	114.4080	0.000	1	115.0354	0.190	5	114.8302	1.895	20	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<3>}	Br(C[6]C[6]2)	115.5440	0.000	1	115.0354	0.190	5	114.8302	1.895	20	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(Br){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|C<4>,1|H<1>,3|C<3>}	Br(C[6]C[6]2)	114.2150	0.000	1	114.2150	0.000	1	114.8302	1.895	20	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(Br){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){2|H<1>,3|C<3>}	Br(C[6]C[6]2)	116.2665	0.746	2	116.2665	0.557	2	114.8302	1.895	20	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|H<1>,1|N<3>,3|C<3>}	Br(C[6]C[6]2)	114.2516	1.613	10	114.5565	2.644	12	114.8302	1.895	20	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|N<3>,4|C<3>}	Br(C[6]C[6]2)	116.0810	0.310	2	114.5565	2.644	12	114.8302	1.895	20	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br){1|O<1>,2|C<3>}	Br(C[6]C[6]2)	122.9925	0.191	4	122.7738	0.282	6	122.6364	0.742	46	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br){1|O<2>,2|C<3>}	Br(C[6]C[6]2)	121.7330	0.000	1	122.7738	0.282	6	122.6364	0.742	46	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br){1|O<1>,2|C<3>}	Br(C[6]C[6]2)	122.9400	0.000	1	122.7738	0.282	6	122.6364	0.742	46	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:	C[6](C[6]C[6]Br)(C[6]C[6]C)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	Br(C[6]C[6]2)	C[6](C[6]C[6]Br)(C[6]C[6]C)(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|O<2>,2|C<3>}	Br(C[6]C[6]2)	119.7840	0.000	1	119.7840	0.000	1	122.6364	0.742	46	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(Br)	Br(C[6]C[6]2)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|O<2>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(Br){1|C<3>,1|H<1>,1|O<1>}	Br(C[6]C[6]2)	121.5980	0.000	1	121.5980	0.000	1	122.6364	0.742	46	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	Br(C[6]C[6]2)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|O<1>}	Br(C[6]C[6]2)	122.8951	0.403	10	123.0955	0.310	26	122.6364	0.742	46	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	Br(C[6]C[6]2)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|C<3>,1|O<1>,1|O<2>}	Br(C[6]C[6]2)	122.7550	0.000	1	123.0955	0.310	26	122.6364	0.742	46	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	Br(C[6]C[6]2)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|C<2>,1|C<3>,1|O<1>}	Br(C[6]C[6]2)	123.2022	0.663	12	123.0955	0.310	26	122.6364	0.742	46	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	Br(C[6]C[6]2)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|O<1>}	Br(C[6]C[6]2)	123.5750	0.000	1	123.0955	0.310	26	122.6364	0.742	46	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	Br(C[6]C[6]2)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|C<3>,1|O<1>,1|O<2>}	Br(C[6]C[6]2)	123.3875	0.627	2	123.0955	0.310	26	122.6364	0.742	46	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:	C[6](C[6]C[6]Br)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)2(Br)	Br(C[6]C[6]2)	C[6](C[6]C[6]Br)(C[6]N[6]H)(Br){1|Br<1>,1|Co<6>,1|C<3>}	C[6](C[6]C[6]Br)2(Br){1|N<3>,2|H<1>}	Br(C[6]C[6]2)	122.3003	0.305	6	122.3003	0.093	6	122.6364	0.742	46	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:	C[6](C[6]C[6]Br)2(Br)	C[6](C[6]C[6]Br)(C[6]N[6]H)(Br)	Br(C[6]C[6]2)	C[6](C[6]C[6]Br)2(Br){1|N<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]N[6]H)(Br){1|Br<1>,1|Co<6>,1|C<3>}	Br(C[6]C[6]2)	121.4940	0.295	6	121.4940	0.087	6	122.6364	0.742	46	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br)	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(H){1|C<3>,1|C<4>,1|O<1>}	Br(C[6]C[6]2)	122.0350	0.000	1	120.9737	0.875	3	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br)	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(H){1|C<3>,1|O<1>,1|O<2>}	Br(C[6]C[6]2)	120.6170	0.000	1	120.9737	0.875	3	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br)	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br){1|O<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(H){1|H<1>,1|O<1>,2|C<4>}	Br(C[6]C[6]2)	120.2690	0.000	1	120.9737	0.875	3	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(Br){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(H){1|O<1>,2|C<3>}	Br(C[6]C[6]2)	121.4470	1.455	2	121.4470	2.118	2	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]N)(Br){1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<2>,1|H<1>,1|N<3>}	Br(C[6]C[6]2)	118.9510	0.000	1	118.9510	0.000	1	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(Br)	C[6](C[6]C[6]Br)2(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]N)(Br){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)2(H){1|C<3>,1|N<3>,1|O<1>}	Br(C[6]C[6]2)	117.8700	0.000	1	117.8700	0.000	1	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<2>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|O<1>}	Br(C[6]C[6]2)	117.2070	0.000	1	119.5134	1.298	9	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<2>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|O<2>}	Br(C[6]C[6]2)	118.8180	0.000	1	119.5134	1.298	9	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	Br(C[6]C[6]2)	119.4535	0.148	2	119.5134	1.298	9	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	Br(C[6]C[6]2)	120.9160	0.247	2	119.5134	1.298	9	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	Br(C[6]C[6]2)	119.3810	0.000	1	119.5134	1.298	9	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|C<4>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	Br(C[6]C[6]2)	119.7380	0.660	2	119.5134	1.298	9	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]Cl)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]Cl)(H){1|C<3>,1|H<1>,1|O<1>}	Br(C[6]C[6]2)	117.9650	0.000	1	117.9650	0.000	1	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	Br(C[6]C[6]2)	117.9360	0.000	1	117.9360	0.000	1	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]N)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6](C[6]C[6]Br)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	Br(C[6]C[6]2)	121.1745	0.302	2	121.1745	0.091	2	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	Br(C[6]C[6]2)	122.8220	0.000	1	122.8220	0.000	1	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]S)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<2>,1|S<4>}	C[6](C[6]C[6]Br)(C[6]C[6]S)(H){1|C<3>,1|O<2>}	Br(C[6]C[6]2)	119.6170	0.000	1	119.2219	0.812	9	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]S)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|S<4>}	C[6](C[6]C[6]Br)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	Br(C[6]C[6]2)	119.1725	0.950	8	119.2219	0.812	9	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)2(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)2(H){1|C<3>,1|H<1>,1|O<1>}	Br(C[6]C[6]2)	118.9391	0.573	7	118.9177	0.285	8	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)2(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)2(H){1|C<3>,1|N<3>,1|O<1>}	Br(C[6]C[6]2)	118.7680	0.000	1	118.9177	0.285	8	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]C)(Br){1|C<4>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>}	Br(C[6]C[6]2)	118.2035	0.015	2	118.2035	0.000	2	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|H<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|N<3>,2|H<1>}	Br(C[6]C[6]2)	119.5740	0.000	1	120.3267	0.694	3	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Zn<6>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|N<3>,2|H<1>}	Br(C[6]C[6]2)	120.7030	0.734	2	120.3267	0.694	3	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>}	Br(C[6]C[6]2)	122.5310	0.416	3	121.0089	1.166	103	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,1|I<1>,1|N<3>}	Br(C[6]C[6]2)	122.3560	0.000	1	121.0089	1.166	103	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	Br(C[6]C[6]2)	121.0573	1.394	13	121.0089	1.166	103	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	Br(C[6]C[6]2)	120.4745	1.126	2	121.0089	1.166	103	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	Br(C[6]C[6]2)	120.4652	0.788	4	121.0089	1.166	103	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>}	Br(C[6]C[6]2)	121.8080	0.000	1	121.0089	1.166	103	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	Br(C[6]C[6]2)	120.8940	0.482	2	121.0089	1.166	103	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	Br(C[6]C[6]2)	120.5840	0.763	16	121.0089	1.166	103	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	Br(C[6]C[6]2)	121.2934	0.919	25	121.0089	1.166	103	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	Br(C[6]C[6]2)	120.4730	0.000	1	121.0089	1.166	103	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	Br(C[6]C[6]2)	120.6370	0.000	1	121.0089	1.166	103	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	Br(C[6]C[6]2)	119.9480	0.000	1	121.0089	1.166	103	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	Br(C[6]C[6]2)	120.2942	0.915	6	121.0089	1.166	103	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6]C[6]2)	121.4965	1.667	6	121.0089	1.166	103	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	Br(C[6]C[6]2)	120.8492	0.944	6	121.0089	1.166	103	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	Br(C[6]C[6]2)	121.2920	0.102	2	121.0089	1.166	103	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Os<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	Br(C[6]C[6]2)	120.5923	1.441	3	121.0089	1.166	103	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	Br(C[6]C[6]2)	120.8917	1.643	3	121.0089	1.166	103	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	Br(C[6]C[6]2)	122.6420	0.000	1	121.0089	1.166	103	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6]C[6]2)	120.6795	0.904	2	121.0089	1.166	103	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	Br(C[6]C[6]2)	121.4840	0.000	1	121.0089	1.166	103	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6]C[6]2)	120.1405	0.472	2	121.0089	1.166	103	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	Br(C[6]C[6]2)	122.4350	0.000	1	121.0089	1.166	103	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)2(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)2(H){1|N<3>,2|H<1>}	Br(C[6]C[6]2)	120.2674	0.987	14	120.5188	0.611	41	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)2(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)2(H){1|H<1>,1|N<2>,1|N<3>}	Br(C[6]C[6]2)	119.7630	0.000	1	120.5188	0.611	41	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)2(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)2(H){1|H<1>,2|N<3>}	Br(C[6]C[6]2)	121.1120	0.641	3	120.5188	0.611	41	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)2(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)2(H){1|N<3>,2|H<1>}	Br(C[6]C[6]2)	120.7077	1.502	3	120.5188	0.611	41	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)2(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|Co<6>,1|C<3>}	C[6](C[6]C[6]Br)2(H){1|N<3>,2|H<1>}	Br(C[6]C[6]2)	120.6153	0.437	20	120.5188	0.611	41	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	Br(C[6]C[6]2)	121.1000	0.000	1	120.9720	0.050	3	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|N<2>}	Br(C[6]C[6]2)	120.9080	0.273	2	120.9720	0.050	3	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)2(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)2(H){1|H<1>,1|N<2>,1|N<3>}	Br(C[6]C[6]2)	120.7270	0.000	1	121.2099	0.857	18	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)2(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)2(H){1|H<1>,2|N<3>}	Br(C[6]C[6]2)	121.5643	1.444	3	121.2099	0.857	18	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)2(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)2(H){3|N<3>}	Br(C[6]C[6]2)	121.1684	0.866	14	121.2099	0.857	18	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[5a]C[6])(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|C<3>,1|C<4>,1|O<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]Br)(H){1|Tb<12>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<3>}	Br(C[6]C[6]2)	119.8170	0.000	1	119.8170	0.000	1	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<2>}	Br(C[6]C[6]2)	119.7570	0.000	1	120.0235	0.699	31	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	Br(C[6]C[6]2)	120.7216	0.679	7	120.0235	0.699	31	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	Br(C[6]C[6]2)	120.5090	0.000	1	120.0235	0.699	31	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|H<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	Br(C[6]C[6]2)	120.2567	0.497	8	120.0235	0.699	31	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|O<2>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	Br(C[6]C[6]2)	119.5610	0.372	2	120.0235	0.699	31	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){3|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|Dy<16>,1|C<3>,1|H<1>,1|O<3>}	Br(C[6]C[6]2)	119.5196	0.890	12	120.0235	0.699	31	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|C<2>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	Br(C[6]C[6]2)	119.5605	0.230	2	119.2019	0.136	12	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	Br(C[6]C[6]2)	118.9550	0.000	1	119.2019	0.136	12	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	Br(C[6]C[6]2)	119.0290	0.000	1	119.2019	0.136	12	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|H<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	Br(C[6]C[6]2)	119.1647	0.393	8	119.2019	0.136	12	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|C<3>,1|C<4>,1|O<3>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(H){1|Tb<12>,1|C<3>,1|H<1>,1|O<3>}	Br(C[6]C[6]2)	118.6300	0.000	1	118.1910	0.908	3	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|O<2>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	Br(C[6]C[6]2)	117.9715	1.235	2	118.1910	0.908	3	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|U<9>}	Br(C[6]C[6]2)	120.5880	0.554	2	119.9303	0.751	79	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	Br(C[6]C[6]2)	120.2800	0.643	2	119.9303	0.751	79	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	Br(C[6]C[6]2)	120.4600	1.562	5	119.9303	0.751	79	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	Br(C[6]C[6]2)	119.9115	0.310	2	119.9303	0.751	79	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|N<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	119.7727	0.816	46	119.9303	0.751	79	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|N<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	Br(C[6]C[6]2)	120.1090	0.734	20	119.9303	0.751	79	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|N<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	Br(C[6]C[6]2)	119.4550	1.735	2	119.9303	0.751	79	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)2(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)2(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<2>}	Br(C[6]C[6]2)	118.7650	0.000	1	118.4769	0.244	8	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)2(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)2(H){1|C<3>,1|H<1>,1|O<1>}	Br(C[6]C[6]2)	118.4357	0.518	7	118.4769	0.244	8	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	Br(C[6]C[6]2)	119.0450	0.368	2	119.1673	0.345	11	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H){1|H<1>,1|N<3>,1|U<9>,2|C<3>}	Br(C[6]C[6]2)	119.3750	0.457	2	119.1673	0.345	11	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	Br(C[6]C[6]2)	118.8882	0.677	5	119.1673	0.345	11	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)2(Br){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H){1|Cu<5>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	Br(C[6]C[6]2)	119.7795	0.144	2	119.1673	0.345	11	120.2539	1.398	353	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)2(O)	Br(C[6]C[6]2)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]Br)2(O){1|C<4>,2|H<1>}	Br(C[6]C[6]2)	115.2860	0.583	2	115.2860	0.339	2	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6,6]H)(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(Br){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]Br)(O){1|H<1>,2|C<4>}	Br(C[6]C[6]2)	116.0750	0.231	2	116.0750	0.053	2	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(Br){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(O){3|C<3>}	Br(C[6]C[6]2)	113.8500	0.000	1	113.8500	0.000	1	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|Br<1>,1|C<2>,1|C<3>}	Br(C[6]C[6]2)	115.0938	0.708	12	115.0938	0.502	12	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<2>}	Br(C[6]C[6]2)	115.4970	1.290	2	115.5395	1.079	4	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){2|Br<1>,1|C<3>}	Br(C[6]C[6]2)	116.4670	0.000	1	115.5395	1.079	4	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|O<2>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6]C[6]2)	114.6970	0.000	1	115.5395	1.079	4	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)2(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)2(O){1|Br<1>,1|C<3>,1|O<2>}	Br(C[6]C[6]2)	114.9150	0.000	1	114.9255	0.122	11	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)2(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)2(O){2|Br<1>,1|C<3>}	Br(C[6]C[6]2)	114.9265	0.369	10	114.9255	0.122	11	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6]O)(Br){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6]C[6]2)	113.6505	0.330	2	113.8673	0.196	3	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6]O)(Br){1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	Br(C[6]C[6]2)	114.3010	0.000	1	113.8673	0.196	3	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>}	Br(C[6]C[6]2)	117.1540	0.000	1	117.6587	0.276	10	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	117.9246	0.360	7	117.6587	0.276	10	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|C<4>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	116.9805	0.193	2	117.6587	0.276	10	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	Br(C[6]C[6]2)	116.1650	0.000	1	118.1097	2.844	3	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	119.1710	0.000	1	118.1097	2.844	3	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	118.9930	0.000	1	118.1097	2.844	3	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	118.8960	0.000	1	118.8960	0.000	1	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)2(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<2>,1|C<4>}	C[6](C[6]C[6]Br)2(O){1|C<3>,1|H<1>}	Br(C[6]C[6]2)	118.0410	0.000	1	116.4889	0.647	15	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)2(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)2(O){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	116.6740	0.423	2	116.4889	0.647	15	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)2(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6](C[6]C[6]Br)2(O){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	115.1845	0.168	2	116.4889	0.647	15	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)2(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|S<4>}	C[6](C[6]C[6]Br)2(O){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	116.7451	0.463	8	116.4889	0.647	15	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)2(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)2(O){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	115.8070	0.156	2	116.4889	0.647	15	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]O)2(Br){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<1>}	Br(C[6]C[6]2)	118.3441	1.107	36	118.0949	1.082	70	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]O)2(Br){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<2>}	Br(C[6]C[6]2)	117.5215	1.003	16	118.0949	1.082	70	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]O)2(Br){1|C<3>,2|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<2>}	Br(C[6]C[6]2)	118.1063	0.735	18	118.0949	1.082	70	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)2(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]O)2(Br){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)2(O){1|Br<1>,1|C<3>,1|O<2>}	Br(C[6]C[6]2)	115.1360	0.000	1	116.2273	0.917	3	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)2(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]O)2(Br){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)2(O){1|C<3>,2|O<2>}	Br(C[6]C[6]2)	116.7730	0.218	2	116.2273	0.917	3	117.0665	2.585	137	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Br)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Co)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]Br)(C[6]N[6]H)(Br){1|Br<1>,1|Co<6>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]Co)(H){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6]C[6]2)	117.8488	0.774	6	117.8488	0.600	6	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6]C[6]2)	117.8520	0.000	1	117.8520	0.000	1	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	118.8505	1.195	14	118.5875	1.317	33	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6]C[6]2)	117.6627	0.419	3	118.5875	1.317	33	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|I<1>}	Br(C[6]C[6]2)	118.3860	0.000	1	118.5875	1.317	33	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	118.5403	1.184	15	118.5875	1.317	33	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Co)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|Co<6>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]Co)(H){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	118.9826	0.755	20	119.0234	0.576	21	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Co)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Co)(H){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	119.8400	0.000	1	119.0234	0.576	21	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Cu)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Cu)(H){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	119.6720	0.000	1	119.6800	0.000	2	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Cu)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Cu)(H){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	119.6880	0.000	1	119.6800	0.000	2	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Fe)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Fe)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6]C[6]2)	119.1775	1.021	6	119.1775	1.042	6	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6]C[6]2)	120.0000	0.000	1	119.1480	0.899	52	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6]C[6]2)	119.4190	0.708	3	119.1480	0.899	52	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	119.5770	0.581	3	119.1480	0.899	52	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6]C[6]2)	118.3960	0.000	1	119.1480	0.899	52	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6]C[6]2)	119.6285	0.425	2	119.1480	0.899	52	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6]C[6]2)	119.8821	0.682	16	119.1480	0.899	52	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	118.4532	0.567	25	119.1480	0.899	52	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|H<1>,2|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	121.6120	0.000	1	119.1480	0.899	52	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Ir)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Ir)(H){1|H<1>,2|C<3>}	Br(C[6]C[6]2)	118.8420	0.876	6	118.8420	0.767	6	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Ni)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Ni)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6]C[6]2)	118.9630	1.379	6	118.9543	1.440	8	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Ni)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Ni)(H){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	118.9280	0.752	2	118.9543	1.440	8	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]O)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6]C[6]2)	119.2475	1.904	2	118.3892	1.478	6	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]O)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	117.9600	0.719	4	118.3892	1.478	6	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Os)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Os<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Os)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6]C[6]2)	118.3957	0.671	3	118.3957	0.450	3	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Pd)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Pd)(H){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	118.4537	0.914	3	118.4537	0.835	3	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Pt)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Pt)(H){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	117.2310	0.000	1	117.2310	0.000	1	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Re)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Re)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6]C[6]2)	119.6240	0.000	1	120.0280	0.198	3	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Re)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Re)(H){1|H<1>,2|C<3>}	Br(C[6]C[6]2)	120.2300	0.389	2	120.0280	0.198	3	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Ru)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Ru)(H){1|H<1>,2|C<3>}	Br(C[6]C[6]2)	119.1815	1.910	2	119.1815	3.648	2	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Zn)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Zn)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6]C[6]2)	118.6460	0.000	1	119.1900	0.424	3	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Zn)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Zn<6>,2|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]Zn)(H){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	119.4620	0.635	2	119.1900	0.424	3	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	Br(C[6]C[6]2)	113.5390	0.000	1	113.5390	0.000	1	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Zn)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(Br){1|Zn<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]Zn)(H){1|C<3>,1|H<1>,1|N<2>}	Br(C[6]C[6]2)	117.6800	0.000	1	117.6800	0.000	1	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]O)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]N[6]C)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(N[6]N[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	Br(C[6]C[6]2)	120.9040	0.000	1	120.9040	0.000	1	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]O)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]N[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]N[6]H)(Br){1|N<2>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]N[6]H)(H){1|C<3>,1|O<2>}	Br(C[6]C[6]2)	120.4910	0.000	1	120.4910	0.000	1	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	Br(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]N[6]N)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	Br(C[6]C[6]2)	120.8490	0.000	1	120.8490	0.000	1	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(C[6]N[6]O)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	Br(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]N[6]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	Br(C[6]C[6]2)	119.7640	0.000	1	120.1550	0.306	2	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(C[6]N[6]O)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	Br(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]N[6]O)(Br){1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|N<2>,2|O<1>}	Br(C[6]C[6]2)	120.5460	0.000	1	120.1550	0.306	2	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)2(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Co)(H)	Br(C[6]C[6]2)	C[6](C[6]N[6]H)2(Br){1|Co<6>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]Co)(H){1|N<2>,2|H<1>}	Br(C[6]C[6]2)	121.8010	0.000	1	121.8010	0.000	1	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)2(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Ru)(H)	Br(C[6]C[6]2)	C[6](C[6]N[6]H)2(Br){1|Ru<5>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]Ru)(H){1|C<4>,1|H<1>,1|N<2>}	Br(C[6]C[6]2)	120.3680	0.156	2	120.3680	0.024	2	118.9342	1.328	166	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:O-1:	C[6]-3:	C[6](C[6]N[6]C)(C[6]N[6]O)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(O)	Br(C[6]C[6]2)	C[6](C[6]N[6]C)(C[6]N[6]O)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(O){1|C<4>,2|N<3>}	Br(C[6]C[6]2)	115.9540	0.000	1	115.9540	0.000	1	117.1495	2.858	2	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:O-1:	C[6]-3:	C[6](C[6]N[6]H)(C[6]N[6]O)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(O)	Br(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]N[6]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	Br(C[6]C[6]2)	118.3450	0.000	1	118.3450	0.000	1	117.1495	2.858	2	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:C[6]-3:Br-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(Br)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(Br){1|Cu<4>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]Br)(H){1|H<1>,2|C<3>}	Br(C[6]C[6]2)	118.0516	1.297	10	118.0516	1.682	10	118.0516	1.682	10	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(Br){1|C<3>,2|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>}	Br(C[6]C[6]N[6])	121.1147	0.644	3	120.5890	0.730	5	121.9670	1.428	30	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(Br){1|C<3>,2|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6]C[6]N[6])	119.7060	0.000	1	120.5890	0.730	5	121.9670	1.428	30	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(Br){1|C<3>,2|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|I<1>}	Br(C[6]C[6]N[6])	119.8950	0.000	1	120.5890	0.730	5	121.9670	1.428	30	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]C)(H)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	Br(C[6]C[6]N[6])	121.3650	0.433	3	121.3650	0.188	3	121.9670	1.428	30	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	Br(C[6]C[6]N[6])	122.5670	0.472	2	122.3622	1.148	22	121.9670	1.428	30	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	Br(C[6]C[6]N[6])	122.4810	0.934	6	122.3622	1.148	22	121.9670	1.428	30	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6]C[6]N[6])	124.7580	0.000	1	122.3622	1.148	22	121.9670	1.428	30	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6]C[6]N[6])	124.3580	0.000	1	122.3622	1.148	22	121.9670	1.428	30	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	Br(C[6]C[6]N[6])	121.9631	0.813	11	122.3622	1.148	22	121.9670	1.428	30	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|H<1>,2|C<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	Br(C[6]C[6]N[6])	121.2390	0.000	1	122.3622	1.148	22	121.9670	1.428	30	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Co)(C[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](N[6]C[6]Co)(C[6]C[6]H)(Br){1|H<1>,2|C<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	Br(C[6]C[6]N[6])	118.8700	0.062	2	118.8700	0.004	2	116.9319	1.199	27	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](N[6]C[6]Fe)(C[6]C[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	Br(C[6]C[6]N[6])	117.0910	0.000	1	116.7566	1.092	5	116.9319	1.199	27	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](N[6]C[6]Fe)(C[6]C[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	Br(C[6]C[6]N[6])	118.0720	0.000	1	116.7566	1.092	5	116.9319	1.199	27	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](N[6]C[6]Fe)(C[6]C[6]H)(Br){1|H<1>,2|C<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	Br(C[6]C[6]N[6])	116.2067	0.899	3	116.7566	1.092	5	116.9319	1.199	27	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](N[6]C[6]Ir)(C[6]C[6]H)(Br){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	Br(C[6]C[6]N[6])	116.8960	0.000	1	117.4730	0.666	2	116.9319	1.199	27	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](N[6]C[6]Ir)(C[6]C[6]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	Br(C[6]C[6]N[6])	118.0500	0.000	1	117.4730	0.666	2	116.9319	1.199	27	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](N[6]C[6]Ni)(C[6]C[6]H)(Br){1|H<1>,2|C<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	Br(C[6]C[6]N[6])	116.3306	1.035	8	116.3306	1.070	8	116.9319	1.199	27	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Os)(C[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](N[6]C[6]Os)(C[6]C[6]H)(Br){1|H<1>,2|C<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Os<9>,1|C<3>,1|H<1>}	Br(C[6]C[6]N[6])	117.3480	0.000	1	117.3480	0.000	1	116.9319	1.199	27	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](N[6]C[6]Ru)(C[6]C[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Ru<4>,1|C<3>,1|H<1>}	Br(C[6]C[6]N[6])	117.3233	0.489	4	116.9666	0.914	9	116.9319	1.199	27	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](N[6]C[6]Ru)(C[6]C[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>}	Br(C[6]C[6]N[6])	116.9233	1.596	3	116.9666	0.914	9	116.9319	1.199	27	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](N[6]C[6]Ru)(C[6]C[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	Br(C[6]C[6]N[6])	116.3180	0.373	2	116.9666	0.914	9	116.9319	1.199	27	119.3638	4.527	826	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(OFe)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(OFe){1|Br<1>,1|O<2>,3|C<3>}	Br(C[6]C[6]2)	115.6840	0.000	1	115.6840	0.000	1	115.6840	0.000	1	120.3292	2.217	51	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:N[6]-2:	C[6]-3:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(Br)	C[6](C[6]N[5,6]C[6])(C[6]C[6]Br)(N[6]C[6])	Br(C[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(Br){1|Zn<4>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]C[6])(C[6]C[6]Br)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	Br(C[6]C[6]2)	124.0250	0.000	1	124.0250	0.000	1	124.0250	0.000	1	120.3292	2.217	51	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)2(OC)	Br(C[6]C[6]2)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(Br){1|Br<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]Br)2(OC){1|C<4>,1|O<2>,2|H<1>}	Br(C[6]C[6]2)	117.5170	0.467	3	117.5170	0.218	3	120.4632	1.467	43	120.3292	2.217	51	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)2(OH)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<2>,1|C<4>}	C[6](C[6]C[6]Br)2(OH){1|C<3>,1|H<1>}	Br(C[6]C[6]2)	119.5840	0.000	1	118.8145	1.184	2	120.4632	1.467	43	120.3292	2.217	51	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)2(OH)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<2>,1|S<4>}	C[6](C[6]C[6]Br)2(OH){1|C<3>,1|H<1>}	Br(C[6]C[6]2)	118.0450	0.000	1	118.8145	1.184	2	120.4632	1.467	43	120.3292	2.217	51	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]N[6]H)(OH)	Br(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]N[6]H)(Br){1|N<2>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]N[6]H)(OH){1|H<1>,1|N<3>}	Br(C[6]C[6]2)	120.8140	0.000	1	120.8140	0.000	1	120.4632	1.467	43	120.3292	2.217	51	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC)	Br(C[6]C[6]2)	C[6](C[6]C[6]O)2(Br){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC){1|Br<1>,1|C<3>,1|O<1>}	Br(C[6]C[6]2)	120.1215	0.361	2	120.1215	0.131	2	120.4632	1.467	43	120.3292	2.217	51	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6])	Br(C[6]C[6]2)	C[6](C[6]C[6]O)2(Br){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6]){1|Br<1>,1|C<3>,1|O<1>}	Br(C[6]C[6]2)	121.6070	0.000	1	121.0092	0.259	4	120.4632	1.467	43	120.3292	2.217	51	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6])	Br(C[6]C[6]2)	C[6](C[6]C[6]O)2(Br){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6]){1|C<3>,1|O<1>,1|O<2>}	Br(C[6]C[6]2)	120.9225	0.473	2	121.0092	0.259	4	120.4632	1.467	43	120.3292	2.217	51	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6])	Br(C[6]C[6]2)	C[6](C[6]C[6]O)2(Br){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6]){1|Br<1>,1|C<3>,1|O<1>}	Br(C[6]C[6]2)	120.5850	0.000	1	121.0092	0.259	4	120.4632	1.467	43	120.3292	2.217	51	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH)	Br(C[6]C[6]2)	C[6](C[6]C[6]O)2(Br){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH){1|Br<1>,1|C<3>,1|O<1>}	Br(C[6]C[6]2)	120.4055	0.891	13	120.7950	0.754	31	120.4632	1.467	43	120.3292	2.217	51	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH)	Br(C[6]C[6]2)	C[6](C[6]C[6]O)2(Br){1|C<3>,2|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH){1|Br<1>,1|C<3>,1|O<1>}	Br(C[6]C[6]2)	121.0763	0.756	18	120.7950	0.754	31	120.4632	1.467	43	120.3292	2.217	51	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	117.8270	0.000	1	118.4607	0.901	3	118.4607	0.901	3	120.3292	2.217	51	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>}	Br(C[6]C[6]2)	118.7775	1.095	2	118.4607	0.901	3	118.4607	0.901	3	120.3292	2.217	51	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Br-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(Br)	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(O[6]C[6])	Br(C[6]C[6]2)	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(Br){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(O[6]C[6]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	Br(C[6]C[6]2)	120.1390	0.000	1	120.2410	0.021	2	120.2410	0.021	2	120.3292	2.217	51	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:2:	3:	C[6]-3:C[6]-3:Br-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(Br)	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(O[6]C[6])	Br(C[6]C[6]2)	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(Br){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(O[6]C[6]){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	Br(C[6]C[6]2)	120.3430	0.000	1	120.2410	0.021	2	120.2410	0.021	2	120.3292	2.217	51	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:2:	3:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)(N[6]C[6]O)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(OH)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]O)(N[6]C[6]O)(Br){1|C<3>,2|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>}	Br(C[6]C[6]N[6])	121.2960	0.000	1	121.2960	0.000	1	121.2960	0.000	1	120.3292	2.217	51	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:Br-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(Br)	C[6](C[6]C[6,6a]Br)(C[6a]C[6a]2)(N[6]C[6]C)	Br(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(Br){1|H<1>,6|C<3>}	C[6](C[6]C[6,6a]Br)(C[6a]C[6a]2)(N[6]C[6]C){3|H<1>,4|C<3>}	Br(C[6]C[6,6a]C[6])	118.7535	0.267	2	118.7535	0.071	2	118.7535	0.071	2	120.2064	5.791	42	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]Br)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(Br){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]Br){1|O<1>,3|H<1>,5|C<3>}	Br(C[6]C[6]2)	122.3410	0.000	1	122.3410	0.000	1	122.3410	0.000	1	120.2064	5.791	42	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(Br)	C[6](C[6]C[5,6]H)(C[6]C[6]Br)(CCH)	Br(C[6]C[6]2)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(Br){1|Pd<7>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]Br)(CCH){1|Pd<7>,1|H<1>,2|C<4>}	Br(C[6]C[6]2)	120.0880	1.522	2	120.0880	2.316	2	120.0333	1.167	3	120.2064	5.791	42	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]Br)(C[6]C[6]C)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CHN)	Br(C[6]C[6]2)	C[6](C[6]C[6]Br)(C[6]C[6]C)(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(CHN){1|Br<1>,1|C<3>,1|O<2>}	Br(C[6]C[6]2)	119.9240	0.000	1	119.9240	0.000	1	120.0333	1.167	3	120.2064	5.791	42	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCC)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCC){1|O<1>,2|C<3>}	Br(C[6]C[6]2)	122.8735	0.448	2	122.8735	0.200	2	122.6461	4.053	14	120.2064	5.791	42	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH){1|O<1>,2|C<3>}	Br(C[6]C[6]2)	122.5655	2.286	6	122.5655	5.224	6	122.6461	4.053	14	120.2064	5.791	42	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H){1|O<1>,2|C<3>}	Br(C[6]C[6]2)	122.4947	0.504	3	122.4947	0.254	3	122.6461	4.053	14	120.2064	5.791	42	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NHH)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NHH){1|O<1>,2|C<3>}	Br(C[6]C[6]2)	118.8040	0.000	1	118.8040	0.000	1	122.6461	4.053	14	120.2064	5.791	42	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(NOO)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]N)(Br){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(NOO){1|C<3>,1|H<1>,1|O<1>}	Br(C[6]C[6]2)	123.9320	0.000	1	123.9320	0.000	1	122.6461	4.053	14	120.2064	5.791	42	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(NCC)	Br(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(NCC){1|N<3>,2|H<1>}	Br(C[6]C[6]2)	125.6850	0.000	1	125.6850	0.000	1	122.6461	4.053	14	120.2064	5.791	42	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6]C)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	Br(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,2|C<4>}	Br(C[6]C[6]2)	115.7635	0.540	2	115.7635	0.291	2	118.5638	1.540	21	120.2064	5.791	42	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	Br(C[6]C[6]2)	118.9718	0.713	14	118.7640	0.596	18	118.5638	1.540	21	120.2064	5.791	42	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	118.0360	0.634	3	118.7640	0.596	18	118.5638	1.540	21	120.2064	5.791	42	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	118.0390	0.000	1	118.7640	0.596	18	118.5638	1.540	21	120.2064	5.791	42	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:	C[6](C[6]N[6]H)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	Br(C[6]C[6]2)	C[6](C[6]N[6]H)(C[6]N[6]N)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	Br(C[6]C[6]2)	120.5600	0.000	1	120.5600	0.000	1	118.5638	1.540	21	120.2064	5.791	42	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:Br-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(Br)	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(N[6]C[6]C)	Br(C[6]C[6]2)	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(Br){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	Br(C[6]C[6]2)	121.8380	0.000	1	121.8380	0.000	1	121.8380	0.000	1	120.2064	5.791	42	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5a,6]O)(C[6]C[6]C)(Br)	C[6](C[6]C[5a,6]O)(C[6]C[6]Br)(CHHN)	Br(C[6]C[6]2)	C[6](C[6]C[5a,6]O)(C[6]C[6]C)(Br){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[5a,6]O)(C[6]C[6]Br)(CHHN){1|O<1>,2|C<3>}	Br(C[6]C[6]2)	122.0110	0.000	1	122.0110	0.000	1	121.4976	1.101	11	120.9580	2.435	16	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(Br)	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(CH3)	Br(C[6]C[6]2)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(Br){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(CH3){1|O<1>,3|C<4>}	Br(C[6]C[6]2)	121.5240	0.000	1	121.5240	0.000	1	121.4976	1.101	11	120.9580	2.435	16	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(CCHH)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(Br){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(CCHH){1|O<1>,2|C<3>}	Br(C[6]C[6]2)	122.0490	0.000	1	122.0490	0.000	1	121.4976	1.101	11	120.9580	2.435	16	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(CH3)	Br(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6]O)(Br){2|C<3>,2|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<1>}	Br(C[6]C[6]2)	121.6620	0.000	1	121.6620	0.000	1	121.4976	1.101	11	120.9580	2.435	16	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(CCCH)	Br(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6]O)(Br){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(CCCH){1|Br<1>,1|C<3>,1|O<1>}	Br(C[6]C[6]2)	122.3420	0.000	1	122.3420	0.000	1	121.4976	1.101	11	120.9580	2.435	16	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(CH3)	Br(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6]O)(Br){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(CH3){1|Br<1>,1|C<3>,1|O<1>}	Br(C[6]C[6]2)	122.1040	0.000	1	122.1040	0.000	1	121.4976	1.101	11	120.9580	2.435	16	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(Br)	C[6](C[6]C[6]Br)2(CH3)	Br(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]N[6]C)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)2(CH3){1|C<4>,2|N<3>}	Br(C[6]C[6]2)	119.5480	0.008	2	119.5480	0.000	2	121.4976	1.101	11	120.9580	2.435	16	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CH3)	Br(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	Br(C[6]C[6]2)	121.0170	0.000	1	121.0170	0.000	1	121.4976	1.101	11	120.9580	2.435	16	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)2(CH3)	Br(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)2(CH3){1|C<4>,2|N<3>}	Br(C[6]C[6]2)	122.3345	0.320	2	122.3345	0.103	2	121.4976	1.101	11	120.9580	2.435	16	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3)	Br(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]N[6]C)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	Br(C[6]C[6]2)	117.8990	0.310	2	117.8990	0.096	2	119.7708	3.817	5	120.9580	2.435	16	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]C)(CCHH)	Br(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]C)(Br){1|C<4>,2|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]C)(CCHH){1|C<3>,2|H<1>}	Br(C[6]C[6]2)	120.2570	0.112	2	120.2570	0.012	2	119.7708	3.817	5	120.9580	2.435	16	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	3:3:4:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]C)(C[6]N[6]O)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3)	Br(C[6]C[6]2)	C[6](C[6]N[6]C)(C[6]N[6]O)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3){1|O<1>,2|N<3>}	Br(C[6]C[6]2)	122.5420	0.000	1	122.5420	0.000	1	119.7708	3.817	5	120.9580	2.435	16	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6,6]-3:C[6]-3:Br-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(Br)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]Br)(H)	Br(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(Br){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]Br)(H){1|C<3>,2|H<1>,4|C<4>}	Br(C[6]C[6,6]C[6])	118.9330	0.000	1	118.9330	0.000	1	118.9330	0.000	1	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6,6a]-3:C[6]-3:Br-1:	C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[4,6]H)(Br)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6a]Br)(H)	Br(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[4,6]H)(Br){1|C<4>,2|H<1>,3|C<3>}	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6a]Br)(H){1|H<1>,4|C<3>}	Br(C[6]C[6,6a]C[6])	118.6270	0.000	1	118.6270	0.000	1	118.6270	0.000	1	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6,6a]-3:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(Br)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]Br)(H)	Br(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(Br){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]Br)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	Br(C[6]C[6,6a]C[6])	117.8040	0.000	1	117.8040	0.000	1	117.8040	0.000	1	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6,6a]-3:C[6]-3:Br-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(Br)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]Br)(H)	Br(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(Br){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]Br)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	Br(C[6]C[6,6a]C[6])	116.8190	0.000	1	116.8190	0.000	1	116.8190	0.000	1	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[3,6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[3,6]O)(C[6]C[5,6]H)(Br)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[3,6]O)(C[6]C[5,6]H)(Br){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]Br)(O){1|C<4>,2|C<3>,2|H<1>}	Br(C[6]C[6]2)	116.2280	0.000	1	116.2280	0.000	1	114.8970	3.543	2	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[3,6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[3,6]O)(C[6]C[6,6]C)(Br)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[3,6]O)(C[6]C[6,6]C)(Br){2|C<4>,3|O<2>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]Br)(O){1|H<1>,2|C<4>}	Br(C[6]C[6]2)	113.5660	0.000	1	113.5660	0.000	1	114.8970	3.543	2	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[5,6,6]-4:C[6]-3:Br-1:	C[6]-3:	C[6](C[6]C[5,6,6]Br)(C[6]C[5,6]O)(Br)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]Br)(Br)	Br(C[6]C[6]2)	C[6](C[6]C[5,6,6]Br)(C[6]C[5,6]O)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]Br)(Br){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	Br(C[6]C[6]2)	125.6270	0.000	1	125.6270	0.000	1	125.6270	0.000	1	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:Br-1:	C[6]-3:	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br)	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(Br)	Br(C[6]C[6]2)	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(Br){1|H<1>,1|O<1>,3|C<4>}	Br(C[6]C[6]2)	124.5590	0.000	1	124.5590	0.000	1	124.1287	0.282	3	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:Br-1:	C[6]-3:	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br)	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(Br)	Br(C[6]C[6]2)	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(Br){1|H<1>,1|O<1>,3|C<4>}	Br(C[6]C[6]2)	124.2920	0.000	1	124.2920	0.000	1	124.1287	0.282	3	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:Br-1:	C[6]-3:	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]Br)(Br)	Br(C[6]C[6]2)	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]Br)(Br){1|C<3>,1|O<1>,2|C<4>}	Br(C[6]C[6]2)	123.5350	0.000	1	123.5350	0.000	1	124.1287	0.282	3	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[3,6]O)(C[6]C[5,6]H)(Br)	C[6](C[5,6]C[3,5,6]O[5]C)(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[3,6]O)(C[6]C[5,6]H)(Br){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[3,5,6]O[5]C)(C[6]C[6]Br)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	Br(C[6]C[6]2)	121.8590	0.000	1	121.8590	0.000	1	119.4147	6.641	8	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(Br)	C[6](C[5,6]C[5,6]C[5]Pd)(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(Br){1|Pd<7>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Pd)(C[6]C[6]Br)(H){2|C<3>,3|C<4>}	Br(C[6]C[6]2)	115.8365	1.710	2	115.8365	2.926	2	119.4147	6.641	8	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(Br)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(H){1|O<1>,3|C<3>,3|H<1>}	Br(C[6]C[6]2)	121.8585	0.067	2	120.3572	1.884	5	119.4147	6.641	8	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(Br)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(Br){1|Br<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(H){1|N<2>,2|C<3>,2|O<2>,3|H<1>}	Br(C[6]C[6]2)	119.3563	0.100	3	120.3572	1.884	5	119.4147	6.641	8	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[5,6,6]Br)(C[6]C[5,6]O)(Br)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[5,6,6]Br)(C[6]C[5,6]O)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	Br(C[6]C[6]2)	114.6220	0.000	1	114.6220	0.000	1	115.8975	0.605	14	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br)	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<4>}	Br(C[6]C[6]2)	115.4840	0.000	1	115.4840	0.000	1	115.8975	0.605	14	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br)	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<4>}	Br(C[6]C[6]2)	117.7010	0.000	1	117.7010	0.000	1	115.8975	0.605	14	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	Br(C[6]C[6]2)	114.8140	0.000	1	114.8140	0.000	1	115.8975	0.605	14	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(Br)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(Br){4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]Br)(O){1|H<1>,6|C<3>}	Br(C[6]C[6]2)	115.4670	0.173	2	115.4670	0.030	2	115.8975	0.605	14	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(Br)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(Br){1|C<4>,1|O<2>,2|C<3>}	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]Br)(O){1|C<4>,3|C<3>,3|H<1>}	Br(C[6]C[6]2)	116.1262	0.342	8	116.1262	0.117	8	115.8975	0.605	14	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(Br)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(Br){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]Br)(H){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>}	Br(C[6]C[6]2)	121.2085	0.022	2	121.2085	0.000	2	121.1372	0.702	4	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(Br)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(Br){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]Br)(H){1|O<1>,2|H<1>,4|C<4>}	Br(C[6]C[6]2)	121.0660	1.444	2	121.0660	2.085	2	121.1372	0.702	4	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(Br)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(Br){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Br)(O){2|C<3>,2|H<1>,3|C<4>}	Br(C[6]C[6]2)	113.3130	0.000	1	113.3130	0.000	1	115.1767	2.816	3	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br){1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(O){1|C<4>,2|C<3>,4|H<1>}	Br(C[6]C[6]2)	116.5680	0.000	1	116.5680	0.000	1	115.1767	2.816	3	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6]O)2(Br)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6,6]O)2(Br){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(O){1|O<2>,2|C<4>,4|H<1>}	Br(C[6]C[6]2)	115.6490	0.000	1	115.6490	0.000	1	115.1767	2.816	3	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6,6]HH)(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(Br){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]Br)(O){2|C<4>,2|H<1>}	Br(C[6]C[6]2)	115.2300	1.584	2	115.2300	2.509	2	115.6899	1.917	9	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6]O)(Br){2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]Br)(O){1|C<4>,1|H<1>,3|C<3>}	Br(C[6]C[6]2)	113.7460	0.000	1	113.7460	0.000	1	115.6899	1.917	9	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]N)(C[6]C[6]O)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]C[6]O)(Br){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O){1|C<4>,1|N<3>,2|H<1>}	Br(C[6]C[6]2)	115.7260	0.000	1	115.7260	0.000	1	115.6899	1.917	9	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]O)(C[6]N[6]H)(Br)	C[6](C[6]N[6]BrH)(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]BrH)(C[6]C[6]Br)(O){1|C<3>,1|H<1>,1|N<3>}	Br(C[6]C[6]2)	117.4910	0.000	1	117.4910	0.000	1	115.6899	1.917	9	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]CH)(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6]O)2(Br){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]Br)(O){1|H<1>,1|O<2>,2|C<4>}	Br(C[6]C[6]2)	116.0990	0.000	1	116.0990	0.000	1	115.6899	1.917	9	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(Br){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	Br(C[6]C[6]2)	114.0550	0.000	1	114.0550	0.000	1	115.6899	1.917	9	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O)	Br(C[6]C[6]2)	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(Br){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O){1|C<3>,1|O<2>,2|H<1>}	Br(C[6]C[6]2)	116.8160	0.037	2	116.8160	0.001	2	115.6899	1.917	9	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:1:	3:	P[6]-3:C[6]-3:Br-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](P[6]C[6,6a]C[6a])(C[6]C[6]H)(Br)	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H)	Br(C[6]C[6]P[6])	C[6](P[6]C[6,6a]C[6a])(C[6]C[6]H)(Br){2|C<4>,4|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H){3|C<3>}	Br(C[6]C[6]P[6])	119.0615	0.081	2	119.0615	0.007	2	119.0615	0.007	2	117.7457	9.440	50	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:2:	3:	C[6]-3:C[6]-3:Br-1:	C[6,6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6,6]O)2(Br)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Br)(OC)	Br(C[6]C[6]2)	C[6](C[6]C[6,6]O)2(Br){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Br)(OC){1|O<1>,2|C<4>,4|H<1>}	Br(C[6]C[6]2)	120.4190	0.000	1	120.4190	0.000	1	120.4190	0.000	1	120.6310	0.090	2	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:2:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(OC)	Br(C[6]C[6]2)	C[6](C[6]C[6]O)2(Br){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(OC){1|H<1>,1|O<1>,2|C<4>}	Br(C[6]C[6]2)	120.8430	0.000	1	120.8430	0.000	1	120.8430	0.000	1	120.6310	0.090	2	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:3:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-4:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6]N)(C[6]C[6]O)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH)	Br(C[6]C[6]2)	C[6](C[6]C[6]N)(C[6]C[6]O)(Br){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH){1|C<4>,1|O<1>,2|H<1>}	Br(C[6]C[6]2)	119.2180	0.000	1	119.2180	0.000	1	119.2180	0.000	1	119.2180	0.000	1	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:4:	3:	C[6]-3:C[6]-3:Br-1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[3,6]O)(C[6]C[6,6]C)(Br)	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]Br)(CHHO)	Br(C[6]C[6]2)	C[6](C[6]C[3,6]O)(C[6]C[6,6]C)(Br){2|C<4>,3|O<2>}	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]Br)(CHHO){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	Br(C[6]C[6]2)	121.0660	0.000	1	121.0660	0.000	1	121.0660	0.000	1	121.5755	0.519	2	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:3:1:	4:3:4:	3:	C[6]-3:C[6]-3:Br-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6]OO)(C[6]C[6]Br)(CHHO)	Br(C[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6]O)(Br){1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]C[6]OO)(C[6]C[6]Br)(CHHO){1|C<3>,1|H<1>,1|O<1>}	Br(C[6]C[6]2)	122.0850	0.000	1	122.0850	0.000	1	122.0850	0.000	1	121.5755	0.519	2	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:4:1:	3:3:1:	3:	C[6]-3:C[6]-4:Br-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(Br){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H){1|N<3>,2|C<3>,3|H<1>}	Br(C[6]C[6]2)	121.1740	0.000	1	121.1740	0.000	1	121.1740	0.000	1	121.1740	0.000	1	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:4:1:	3:3:3:	3:	C[6]-3:C[6]-4:Br-1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(N[5]C[5]2)	Br(C[6]C[6]2)	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(Br){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	Br(C[6]C[6]2)	122.2100	0.000	1	122.2100	0.000	1	122.2100	0.000	1	122.2100	0.000	1	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:4:1:	4:3:1:	3:	C[6]-3:C[6]-4:Br-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5,6,6]H)(C[6]C[6]BrH)(Br)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[5,6,6]H)(C[6]C[6]BrH)(Br){2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]Br)(H){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	Br(C[6]C[6]2)	120.7460	1.001	2	120.7460	1.003	2	120.7460	1.003	2	119.6695	2.393	6	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:4:1:	4:3:1:	3:	C[6]-3:C[6]-4:Br-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(Br)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(Br){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(H){1|O<2>,3|C<4>,4|H<1>}	Br(C[6]C[6]2)	118.0570	0.000	1	117.7825	0.151	2	119.1312	2.495	4	119.6695	2.393	6	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:4:1:	4:3:1:	3:	C[6]-3:C[6]-4:Br-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(Br)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[5,6]H)(C[6]C[6]CH)(Br){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(H){1|O<2>,3|H<1>,4|C<4>}	Br(C[6]C[6]2)	117.5080	0.000	1	117.7825	0.151	2	119.1312	2.495	4	119.6695	2.393	6	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	3:4:1:	4:3:1:	3:	C[6]-3:C[6]-4:Br-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(Br)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(Br){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	Br(C[6]C[6]2)	120.4800	0.239	2	120.4800	0.057	2	119.1312	2.495	4	119.6695	2.393	6	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:3:1:	3:	C[5,6,6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]Br)(Br)	C[6](C[6]C[5,6,6]Br)(C[6]C[5,6]O)(Br)	Br(C[6]C[5,6,6]C[6])	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]Br)(Br){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]Br)(C[6]C[5,6]O)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	Br(C[6]C[5,6,6]C[6])	121.2900	0.000	1	121.2900	0.000	1	121.2900	0.000	1	120.5889	4.050	22	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:3:1:	3:	C[5,6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(Br)	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br)	Br(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(Br){1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br){1|O<2>,2|C<4>,2|H<1>}	Br(C[6]C[5,6]C[6])	123.9960	0.000	1	123.9960	0.000	1	123.8583	0.098	3	120.5889	4.050	22	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:3:1:	3:	C[5,6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(Br)	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br)	Br(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(Br){1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br){1|O<2>,2|C<4>,2|H<1>}	Br(C[6]C[5,6]C[6])	123.5000	0.000	1	123.5000	0.000	1	123.8583	0.098	3	120.5889	4.050	22	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:3:1:	3:	C[5,6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]Br)(Br)	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br)	Br(C[6]C[5,6]C[6])	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]Br)(Br){1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	Br(C[6]C[5,6]C[6])	124.0790	0.000	1	124.0790	0.000	1	123.8583	0.098	3	120.5889	4.050	22	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:3:1:	3:	C[5,6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]H)(Br)	C[6](C[6]C[5,6]Br)(C[6]C[6]H)(H)	Br(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]H)(Br){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]Br)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	Br(C[6]C[5,6]C[6])	121.8140	0.946	2	121.8140	0.895	2	120.7756	1.258	5	120.5889	4.050	22	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:3:1:	3:	C[5,6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(Br)	C[6](C[6]C[5,6]Br)(C[6]C[6]H)(H)	Br(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(Br){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]Br)(C[6]C[6]H)(H){1|Fe<10>,1|H<1>,2|C<4>}	Br(C[6]C[5,6]C[6])	119.7550	0.000	1	119.7550	0.000	1	120.7756	1.258	5	120.5889	4.050	22	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:3:1:	3:	C[5,6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]H)(Br)	C[6](C[6]C[5,6]Br)(C[6]C[6]H)(H)	Br(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]H)(Br){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]Br)(C[6]C[6]H)(H){1|Hf<12>,1|H<1>,2|C<4>}	Br(C[6]C[5,6]C[6])	120.2475	0.616	2	120.2475	0.379	2	120.7756	1.258	5	120.5889	4.050	22	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]Br)(H)	Br(C[6]C[6,6]C[6])	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6,6a]H)(Br){1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]Br)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	Br(C[6]C[6,6]C[6])	122.5790	0.000	1	122.5790	0.000	1	122.5790	0.000	1	120.5889	4.050	22	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:3:1:	3:	C[6,6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(Br)	C[6](C[6]C[5,6,6]O)(C[6]C[6,6]Br)(H)	Br(C[6]C[6,6]C[6])	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(Br){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[6,6]Br)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	Br(C[6]C[6,6]C[6])	122.4140	1.963	2	122.4140	3.853	2	122.4140	3.853	2	120.5889	4.050	22	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(Br)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]H)(Br){6|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Br)(H){1|O<2>,5|C<3>}	Br(C[6]C[6]2)	119.0355	0.310	2	119.0355	0.096	2	119.0355	0.096	2	120.5889	4.050	22	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6]DyO)(C[6]C[6]H)(Br)	C[6](C[6]C[6,6]Br)(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6,6]DyO)(C[6]C[6]H)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6](C[6]C[6,6]Br)(C[6]C[6]Br)(H){1|Dy<13>,1|C<3>,1|C<4>,1|O<2>}	Br(C[6]C[6]2)	118.8210	0.332	3	118.8210	0.110	3	118.8419	0.467	8	120.5889	4.050	22	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CH)(C[6]C[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]CH)(C[6]C[6]H)(Br){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	Br(C[6]C[6]2)	118.0760	0.000	2	118.0760	0.000	2	118.8419	0.467	8	120.5889	4.050	22	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CN)(C[6]C[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]CN)(C[6]C[6]H)(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	Br(C[6]C[6]2)	119.7730	0.000	1	119.7870	0.000	2	118.8419	0.467	8	120.5889	4.050	22	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CN)(C[6]C[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]CN)(C[6]C[6]H)(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	Br(C[6]C[6]2)	119.8010	0.000	1	119.7870	0.000	2	118.8419	0.467	8	120.5889	4.050	22	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:3:1:	3:	C[6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(Br)	C[6](C[6]C[6]Br)2(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(Br){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)2(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<2>}	Br(C[6]C[6]2)	118.5460	0.000	1	118.5460	0.000	1	118.8419	0.467	8	120.5889	4.050	22	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:3:2:	3:	C[6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)2(OC)	Br(C[6]C[6]2)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]Br)2(OC){1|C<4>,1|O<2>,2|H<1>}	Br(C[6]C[6]2)	121.3493	0.457	3	121.3493	0.208	3	119.6612	4.022	6	119.6612	4.022	6	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:3:2:	3:	C[6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]CH)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH)	Br(C[6]C[6]2)	C[6](C[6]C[6]CH)(C[6]C[6]O)(Br){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	Br(C[6]C[6]2)	118.8120	0.000	1	118.8120	0.000	1	119.6612	4.022	6	119.6612	4.022	6	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:3:2:	3:	C[6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC)	Br(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]O)(Br){1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	Br(C[6]C[6]2)	118.4300	0.000	1	118.4300	0.000	1	119.6612	4.022	6	119.6612	4.022	6	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:3:2:	3:	C[6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH)	Br(C[6]C[6]2)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(Br){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH){1|Br<1>,2|C<3>,2|C<4>}	Br(C[6]C[6]2)	116.6770	0.000	1	116.6770	0.000	1	119.6612	4.022	6	119.6612	4.022	6	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]C)(Br)	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHO)	Br(C[6]C[6,6]C[6])	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]C)(Br){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHO){2|C<4>,3|O<2>}	Br(C[6]C[6,6]C[6])	120.6160	0.000	2	120.6160	0.000	2	120.6160	0.000	2	120.6160	0.000	2	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:3:4:	3:	C[6,6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]C)(Br)	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHHO)	Br(C[6]C[6,6]C[6])	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]C)(Br){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHHO){2|C<4>,3|O<2>}	Br(C[6]C[6,6]C[6])	121.3690	0.000	2	121.3690	0.000	2	121.3690	0.000	2	121.4013	0.003	3	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:3:4:	3:	C[6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]N)(CC[6a]HO)	Br(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]C)(Br){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]N)(CC[6a]HO){1|C<4>,4|H<1>}	Br(C[6]C[6]2)	121.4660	0.000	1	121.4660	0.000	1	121.4660	0.000	1	121.4013	0.003	3	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:4:1:	3:	C[5,6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br)	C[6](C[6]C[5,6]Br)(C[6]C[6]CH)(H)	Br(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]Br)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,2|O<2>}	Br(C[6]C[5,6]C[6])	120.3030	0.000	1	120.3030	0.000	1	120.4620	0.631	10	120.2327	1.146	11	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:4:1:	3:	C[5,6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br)	C[6](C[6]C[5,6]Br)(C[6]C[6]HH)(H)	Br(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]Br)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	Br(C[6]C[5,6]C[6])	121.1950	0.000	1	121.1950	0.000	1	120.4620	0.631	10	120.2327	1.146	11	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:4:1:	3:	C[5,6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br)	C[6](C[6]C[5,6]Br)(C[6]C[6]HO)(H)	Br(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]Br)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	Br(C[6]C[5,6]C[6])	120.8265	0.757	2	121.0650	0.403	4	120.4620	0.631	10	120.2327	1.146	11	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:4:1:	3:	C[5,6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br)	C[6](C[6]C[5,6]Br)(C[6]C[6]HO)(H)	Br(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]Br)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	Br(C[6]C[5,6]C[6])	121.3035	0.639	2	121.0650	0.403	4	120.4620	0.631	10	120.2327	1.146	11	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:4:1:	3:	C[5,6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(Br)	C[6](C[6]C[5,6]Br)(C[6]C[6]HH)(H)	Br(C[6]C[5,6]C[6])	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(Br){3|H<1>,4|C<4>}	C[6](C[6]C[5,6]Br)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|O<2>}	Br(C[6]C[5,6]C[6])	119.7155	0.274	4	119.7155	0.075	4	120.4620	0.631	10	120.2327	1.146	11	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	3:4:1:	3:	C[6,6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(Br)	C[6](C[6]C[6,6]Br)(C[6]C[6]HH)(H)	Br(C[6]C[6,6]C[6])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(Br){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]Br)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	Br(C[6]C[6,6]C[6])	117.9400	0.000	1	117.9400	0.000	1	117.9400	0.000	1	120.2327	1.146	11	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	4:3:1:	3:	C[3x6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3x6]C[4x6]O[6,6]C)(C[6]C[6]H)(Br)	C[6](C[6]C[3x6]HH)(C[6]C[3x6]Br)(H)	Br(C[6]C[3x6]C[6])	C[6](C[3x6]C[4x6]O[6,6]C)(C[6]C[6]H)(Br){2|H<1>,4|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[3x6]Br)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	Br(C[6]C[3x6]C[6])	119.7483	0.383	3	119.7483	0.146	3	119.7483	0.146	3	120.8255	2.248	37	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	4:3:1:	3:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(Br)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]Br)(H)	Br(C[6]C[5,6]C[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(Br){2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]Br)(H){2|C<4>,2|H<1>,2|O<2>}	Br(C[6]C[5,6]C[6])	119.5935	0.076	2	119.5935	0.006	2	119.5935	0.006	2	120.8255	2.248	37	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	4:3:1:	3:	C[6,6]-4:C[6]-3:Br-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,5,6]H)(Br)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]Br)(H)	Br(C[6]C[6,6]C[6])	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,5,6]H)(Br){1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]Br)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	Br(C[6]C[6,6]C[6])	120.1260	0.000	1	120.1260	0.000	1	120.1260	0.000	1	120.8255	2.248	37	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]H)(Br)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]Br)(H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	Br(C[6]C[6]2)	119.6070	0.000	1	119.6070	0.000	1	119.6070	0.000	1	120.8255	2.248	37	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:Br-1:	C[6]-3:	C[6](C[6]C[6]CO)(C[6]C[6]Br)(Br)	C[6](C[6]C[6]CO)(C[6]C[6]Br)(Br)	Br(C[6]C[6]2)	C[6](C[6]C[6]CO)(C[6]C[6]Br)(Br){1|Br<1>,1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]Br)(Br){1|Br<1>,1|C<2>,1|C<3>,1|O<1>}	Br(C[6]C[6]2)	122.4950	0.509	4	122.2704	0.278	9	122.2574	0.230	11	120.8255	2.248	37	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:Br-1:	C[6]-3:	C[6](C[6]C[6]CO)(C[6]C[6]Br)(Br)	C[6](C[6]C[6]CO)(C[6]C[6]Br)(Br)	Br(C[6]C[6]2)	C[6](C[6]C[6]CO)(C[6]C[6]Br)(Br){1|Br<1>,1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]Br)(Br){1|Br<1>,1|C<2>,1|C<3>,1|O<2>}	Br(C[6]C[6]2)	122.0908	0.520	5	122.2704	0.278	9	122.2574	0.230	11	120.8255	2.248	37	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:Br-1:	C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(Br)	Br(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(Br){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(Br){2|C<3>,2|H<1>}	Br(C[6]C[6]2)	122.1985	0.254	2	122.1985	0.064	2	122.2574	0.230	11	120.8255	2.248	37	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(Br)	C[6](C[6]C[3,6]HO)(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(Br){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[3,6]HO)(C[6]C[6]Br)(H){1|C<4>,2|H<1>,2|O<2>}	Br(C[6]C[6]2)	119.3720	0.000	1	119.3720	0.000	1	120.0726	2.015	14	120.8255	2.248	37	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(Br)	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[5,6]HN)(C[6]C[6]H)(Br){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]Br)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	Br(C[6]C[6]2)	122.1810	0.000	1	122.1810	0.000	1	120.0726	2.015	14	120.8255	2.248	37	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HN)(C[6]C[6]H)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]HN)(C[6]C[6]H)(Br){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	Br(C[6]C[6]2)	119.4810	0.156	2	119.6198	0.541	6	120.0726	2.015	14	120.8255	2.248	37	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HN)(C[6]C[6]H)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]HN)(C[6]C[6]H)(Br){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H){1|C<4>,1|N<3>,3|H<1>}	Br(C[6]C[6]2)	119.6893	0.935	4	119.6198	0.541	6	120.0726	2.015	14	120.8255	2.248	37	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HO)(C[6]C[6]H)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]HO)(C[6]C[6]H)(Br){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H){1|C<4>,2|H<1>,2|O<2>}	Br(C[6]C[6]2)	119.7040	0.000	1	119.7040	0.000	1	120.0726	2.015	14	120.8255	2.248	37	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HO)(C[6]C[6]H)(Br)	C[6](C[6]C[6]HO)(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]C[6]HO)(C[6]C[6]H)(Br){1|C<4>,1|I<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]Br)(H){1|C<4>,2|H<1>,2|O<2>}	Br(C[6]C[6]2)	119.5530	0.817	4	119.5530	0.668	4	120.0726	2.015	14	120.8255	2.248	37	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]O[6]HN)(C[6]C[6]H)(Br)	C[6](C[6]N[6]CH)(C[6]C[6]Br)(H)	Br(C[6]C[6]2)	C[6](C[6]O[6]HN)(C[6]C[6]H)(Br){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]CH)(C[6]C[6]Br)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	Br(C[6]C[6]2)	123.8280	0.000	1	123.8280	0.000	1	120.0726	2.015	14	120.8255	2.248	37	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	4:3:1:	3:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:I-1:	C[6]-3:	C[6](C[6]N[5a,6]HH)(C[6]C[6]I)(Br)	C[6](C[6]C[5a,6]C[6a]2)(C[6]C[6]Br)(I)	Br(C[6]C[6]2)	C[6](C[6]N[5a,6]HH)(C[6]C[6]I)(Br){4|C<3>}	C[6](C[6]C[5a,6]C[6a]2)(C[6]C[6]Br)(I){1|N<3>,2|H<1>,5|C<3>}	Br(C[6]C[6]2)	124.3170	0.000	1	124.3170	0.000	1	124.3170	0.000	1	120.8255	2.248	37	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	4:3:1:	3:	P[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](P[6]C[6,6a]C[6a]Pd)(C[6]C[6]H)(Br)	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H)	Br(C[6]C[6]P[6])	C[6](P[6]C[6,6a]C[6a]Pd)(C[6]C[6]H)(Br){2|C<4>,4|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H){1|Pd<4>,3|C<3>}	Br(C[6]C[6]P[6])	120.3800	0.000	1	120.3800	0.000	1	120.5535	0.219	4	120.8255	2.248	37	119.4907	4.752	1101	119.5380	4.891	1120
762	762	924	0:SP2_SP-NON_SP2	C[6]	C[6]	Br	4:3:1:	4:3:1:	3:	P[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](P[6]C[6,6a]C[6a]Pt)(C[6]C[6]H)(Br)	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H)	Br(C[6]C[6]P[6])	C[6](P[6]C[6,6a]C[6a]Pt)(C[6]C[6]H)(Br){2|C<4>,4|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]P[6]Br)(H){1|Pt<4>,3|C<3>}	Br(C[6]C[6]P[6])	120.6113	0.555	3	120.6113	0.308	3	120.5535	0.219	4	120.8255	2.248	37	119.4907	4.752	1101	119.5380	4.891	1120
762	762	927	0:SP2_SP2_SP2	C[6]	C[6]	B[6a]	3:3:3:	3:2:4:	3:3:3:	B[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[6](B[6a]C[6a,6a]C[6a])(C[6]C[6]C)2	C[6](C[6]B[6a]C[6])(C[6]C[6])(CCCH)	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(C[6]C[6]2)	C[6](B[6a]C[6a,6a]C[6a])(C[6]C[6]C)2{1|C<4>,4|C<3>}	C[6](C[6]B[6a]C[6])(C[6]C[6])(CCCH){1|C<2>,2|C<3>,2|C<4>}	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(C[6]C[6]2){1|Br<1>,1|H<1>,2|C<2>,2|C<4>,3|C<3>}	120.3865	1.524	2	120.3865	2.322	2	120.3865	2.322	2	120.3865	2.322	2	120.3865	2.322	2	120.3865	2.322	2
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[3x6]	C	3:3:3:	3:3:3:	3:2:1:	C[3x6]-3:C[6,6]-3:C-3:	C[3x6]-3:C[3x6]-3:C[6,6]-3:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[3x6]2)(C[6,6]C[3x6]C)(COO)	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[3x6]2)(C[6,6]C[3x6]C)(COO){1|C<1>,2|C<2>,2|C<3>}	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C){1|C<3>,1|C<4>,4|C<2>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	126.3710	0.000	1	122.0200	37.862	2	122.0200	37.862	2	122.0200	37.862	2	122.0200	37.862	2	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[3x6]	C	3:3:3:	3:3:3:	3:2:1:	C[3x6]-3:C[6,6]-3:C-3:	C[3x6]-3:C[3x6]-3:C[6,6]-3:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[3x6]2)(C[6,6]C[3x6]C)(COO)	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[3x6]2)(C[6,6]C[3x6]C)(COO){1|Cl<1>,2|C<2>,2|C<3>}	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C){1|C<3>,1|C<4>,4|C<2>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	117.6690	0.000	1	122.0200	37.862	2	122.0200	37.862	2	122.0200	37.862	2	122.0200	37.862	2	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	3:3:3:	3:3:3:	3:2:1:	P[3x6]-3:C[6,6]-3:C-3:	P[3x6]-3:C[6,6]-3:C-3:	C[6,6]-3:O-2:O-1:	C[6,6](P[3x6]C[5,6,6]2)(C[6,6]P[3x6]C)(COO)	C[6,6](P[3x6]C[5,6,6]2)(C[6,6]P[3x6]C)(COO)	C(C[6,6]C[6,6]P[3x6])(OC)(O)	C[6,6](P[3x6]C[5,6,6]2)(C[6,6]P[3x6]C)(COO){1|N<3>,1|S<2>,2|C<3>}	C[6,6](P[3x6]C[5,6,6]2)(C[6,6]P[3x6]C)(COO){1|N<3>,1|S<2>,2|C<3>}	C(C[6,6]C[6,6]P[3x6])(OC)(O)	124.3715	1.767	2	124.3715	3.123	2	124.3715	3.123	2	124.3715	3.123	2	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	3:3:3:	4:3:1:	3:3:1:	C[6,6]-3:N[3x6]-3:C-3:	C[3x6]-4:C[6,6]-3:O-1:	C[5a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O)	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O){2|C<4>,4|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	121.9514	0.580	8	121.9514	0.336	8	121.9514	0.336	8	121.7227	0.465	20	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	3:3:3:	4:3:1:	3:3:1:	C[6,6]-3:N[3x6]-3:C-3:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6]-3:C[5a]-3:H-1:	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O)	C(C[6,6]C[6,6]N[3x6])(C[5a]C[5a]S[5a])(H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O){2|C<4>,4|H<1>}	C(C[6,6]C[6,6]N[3x6])(C[5a]C[5a]S[5a])(H)	123.1590	0.000	1	123.1590	0.000	1	123.1590	0.000	1	121.7227	0.465	20	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	3:3:3:	4:3:1:	3:3:1:	C[6,6]-3:N[3x6]-3:C-3:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6]-3:C[6a]-3:H-1:	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O)	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O){2|C<4>,4|H<1>}	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	121.4258	0.551	11	121.4258	0.304	11	121.4258	0.304	11	121.7227	0.465	20	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	3:3:3:	4:3:1:	3:4:1:	C[6,6]-3:N[3x6]-3:C-3:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O)	C(C[6,6]C[6,6]N[3x6])(C[6]C[6]2H)(H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6]H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(O){2|C<4>,4|H<1>}	C(C[6,6]C[6,6]N[3x6])(C[6]C[6]2H)(H)	123.5210	0.000	1	123.5210	0.000	1	123.5210	0.000	1	123.5210	0.000	1	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	3:3:3:	4:3:2:	3:3:1:	C[6,6]-3:N[3x6]-3:C-3:	C[3x6]-4:C[6,6]-3:N-2:	C[5a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(NN)	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(NN){2|C<4>,4|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	124.1750	0.000	1	124.1750	0.000	1	125.0930	1.685	2	125.0930	1.685	2	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	3:3:3:	4:3:2:	3:3:1:	C[6,6]-3:N[3x6]-3:C-3:	C[3x6]-4:C[6,6]-3:N-2:	C[5a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(NO)	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]C)(NO){2|C<4>,4|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	126.0110	0.000	1	126.0110	0.000	1	125.0930	1.685	2	125.0930	1.685	2	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	3:3:3:	4:3:3:	3:2:1:	C[3x6]-3:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[3x6]2)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[3x6]2C)(C[6,6]C[3x6]C)(COO)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[3x6]2)(C[6,6]C[3x6]C)(COO){1|C<1>,2|C<2>,2|C<3>}	C[6,6](C[3x6]C[3x6]2C)(C[6,6]C[3x6]C)(COO){2|C<2>,2|C<3>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	120.2610	0.000	1	120.2610	0.000	1	123.8630	25.949	2	123.8630	25.949	2	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	3:3:3:	4:3:3:	3:2:1:	C[3x6]-3:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[3x6]2)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[3x6]2Cl)(C[6,6]C[3x6]C)(COO)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[3x6]2)(C[6,6]C[3x6]C)(COO){1|Cl<1>,2|C<2>,2|C<3>}	C[6,6](C[3x6]C[3x6]2Cl)(C[6,6]C[3x6]C)(COO){2|C<2>,2|C<3>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	127.4650	0.000	1	127.4650	0.000	1	123.8630	25.949	2	123.8630	25.949	2	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	3:3:3:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-3:C[6,6]-3:C-3:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[3x6]2C)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[3x6]2)(C[6,6]C[3x6]C)(COO)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[3x6]2C)(C[6,6]C[3x6]C)(COO){2|C<2>,2|C<3>}	C[6,6](C[3x6]C[3x6]2)(C[6,6]C[3x6]C)(COO){1|C<1>,2|C<2>,2|C<3>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	125.7110	0.000	1	125.7110	0.000	1	126.1465	0.379	2	126.1465	0.379	2	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	3:3:3:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-3:C[6,6]-3:C-3:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[3x6]2Cl)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[3x6]2)(C[6,6]C[3x6]C)(COO)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[3x6]2Cl)(C[6,6]C[3x6]C)(COO){2|C<2>,2|C<3>}	C[6,6](C[3x6]C[3x6]2)(C[6,6]C[3x6]C)(COO){1|Cl<1>,2|C<2>,2|C<3>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	126.5820	0.000	1	126.5820	0.000	1	126.1465	0.379	2	126.1465	0.379	2	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	3:4:1:	3:1:1:	C[5,3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-3:H-1:O-1:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CHO)	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2C)(H)	C(C[6,6]C[5,3x6]C[6,6])(H)(O)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CHO){2|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2C)(H){1|O<2>,2|C<3>,3|H<1>}	C(C[6,6]C[5,3x6]C[6,6])(H)(O)	125.3440	0.000	1	125.3440	0.000	1	125.3440	0.000	1	125.3440	0.000	1	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	3:4:1:	3:2:1:	C[5,4x6]-4:C[6,6]-3:C-3:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-3:O-2:O-1:	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(COO)	C[6,6](C[6,6]C[5,4x6]C)(C[3x6]C[6,6]2O)(H)	C(C[6,6]C[5,4x6]C[6,6])(OC)(O)	C[6,6](C[5,4x6]N[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]H)(COO){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,4x6]C)(C[3x6]C[6,6]2O)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C(C[6,6]C[5,4x6]C[6,6])(OC)(O)	124.4390	0.000	1	124.4390	0.000	1	124.4390	0.000	1	124.4390	0.000	1	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	3:4:1:	3:3:1:	C[5,3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:C[3x6]-4:H-1:	C[6,6]-3:C-3:H-1:	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(CCH)	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H)	C(C[6,6]C[5,3x6]C[6,6])(CCH)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(CCH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6,6]C[5,3x6]C[6,6])(CCH)(H)	124.2300	0.000	1	124.2300	0.000	1	124.2300	0.000	1	124.2300	0.000	1	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:1:1:	C[3x6]-4:C[6,6]-3:C-3:	C[4x6]-4:C[6,6]-3:O-1:	C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CHH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(O)	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CHH){3|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(O){4|C<4>,6|H<1>}	C(C[6,6]C[3x6]C[6,6])(H)2	121.5800	0.000	1	121.6885	0.024	2	121.6885	0.024	2	121.6885	0.024	2	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:1:1:	C[3x6]-4:C[6,6]-3:C-3:	C[4x6]-4:C[6,6]-3:O-1:	C[6,6]-3:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CHH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(O)	C(C[6,6]C[3x6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(CHH){3|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(O){5|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6])(H)2	121.7970	0.000	1	121.6885	0.024	2	121.6885	0.024	2	121.6885	0.024	2	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(COO)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(COO){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	125.0120	0.000	1	125.0120	0.000	1	126.3780	1.513	10	123.9647	8.305	19	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(COO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]H)(COO){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	123.6780	0.000	1	123.6780	0.000	1	126.3780	1.513	10	123.9647	8.305	19	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	127.0120	0.000	1	126.8732	0.392	4	126.3780	1.513	10	123.9647	8.305	19	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	127.1490	0.000	1	126.8732	0.392	4	126.3780	1.513	10	123.9647	8.305	19	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	126.6660	0.997	2	126.8732	0.392	4	126.3780	1.513	10	123.9647	8.305	19	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]H)(COO){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	126.8992	0.636	4	126.8992	0.405	4	126.3780	1.513	10	123.9647	8.305	19	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]H)(COO)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]H)(COO){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	121.0480	0.000	1	121.0480	0.000	1	122.6550	5.165	2	123.9647	8.305	19	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(COO)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]H)(COO){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	124.2620	0.000	1	124.2620	0.000	1	122.6550	5.165	2	123.9647	8.305	19	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[4x6]-4:C[6,6]-3:O-1:	C[6,6]-3:O-2:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(CHO)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]C)(O)	C(C[6,6]C[3x6]C[6,6])(OC)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(CHO){5|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]C)(O){1|O<2>,4|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6])(OC)(H)	120.2080	0.000	1	120.2080	0.000	1	120.2080	0.000	1	123.9647	8.305	19	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:2:1:	C[4,6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:N-2:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHN)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C(C[6,6]C[4,6,6]C[6,6])(NC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHN){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(NC)(H)	121.0053	0.691	6	121.0053	0.478	6	121.0053	0.478	6	123.9647	8.305	19	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CCH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)	C(C[6,6]C[3x6]C[6,6])(CCH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(CCH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6])(CCH)(H)	121.8810	0.000	1	121.8810	0.000	1	121.8810	0.000	1	122.9610	12.337	18	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6a]-3:O-1:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(CC[6a]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]C)(H)	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]Br)(C[6,6]C[3x6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	124.9230	0.000	1	124.9230	0.000	1	123.5680	1.406	3	122.9610	12.337	18	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6a]-3:O-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CC[6a]O)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]C)(H)	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	122.7190	0.000	1	122.8905	0.059	2	123.5680	1.406	3	122.9610	12.337	18	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6a]-3:O-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CC[6a]O)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]C)(H)	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]C)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	123.0620	0.000	1	122.8905	0.059	2	123.5680	1.406	3	122.9610	12.337	18	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:N-3:O-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(CNO)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(H)	C(C[6,6]C[3x6]C[6,6])(NCC)(O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]H)(CNO){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(H){1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6])(NCC)(O)	124.0000	0.000	1	124.0000	0.000	1	124.0000	0.000	1	122.9610	12.337	18	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6]-3:C-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CCH)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(O)	C(C[6,6]C[3x6]C[6,6])(CCH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CCH){2|C<2>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(O){2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]C[6,6])(CCH)(H)	122.9440	0.000	1	122.9440	0.000	1	122.9440	0.000	1	122.9610	12.337	18	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6]-3:C[6a]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(CC[6a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(O)	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(CC[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)	121.4850	0.000	1	121.2940	0.073	2	121.2940	0.073	2	122.9610	12.337	18	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:O-1:	C[6,6]-3:C[6a]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(CC[6a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(O)	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(CC[6a]H){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)	121.1030	0.000	1	121.2940	0.073	2	121.2940	0.073	2	122.9610	12.337	18	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:3:1:	C[4,6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCH)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C(C[6,6]C[4,6,6]C[6,6])(CCC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCH){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(CCC)(H)	131.0010	0.000	1	131.0010	0.000	1	130.1420	1.476	2	122.9610	12.337	18	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:3:1:	C[4,6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCH)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C(C[6,6]C[4,6,6]C[6,6])(CCH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCH){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(CCH)(H)	129.2830	0.000	1	129.2830	0.000	1	130.1420	1.476	2	122.9610	12.337	18	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:3:1:	C[4,6,6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:N-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHN)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C(C[6,6]C[4,6,6]C[6,6])(NC[6a]Ni)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHN){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){2|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(NC[6a]Ni)(H)	122.5097	0.797	4	122.5097	0.635	4	122.5097	0.635	4	122.9610	12.337	18	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:3:1:	C[4x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C-3:H-1:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]H)(CCH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]C)(H)	C(C[6,6]C[4x6]C[6,6])(COO)(H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]H)(CCH){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C(C[6,6]C[4x6]C[6,6])(COO)(H)	125.8280	0.000	1	125.8280	0.000	1	125.8280	0.000	1	122.9610	12.337	18	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:3:1:	C[5,3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C-3:H-1:	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]H)(CCH)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]C)(H)	C(C[6,6]C[5,3x6]C[6,6])(CCH)(H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]H)(CCH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6,6]C[5,3x6]C[6,6])(CCH)(H)	121.3810	0.000	1	121.3810	0.000	1	121.3810	0.000	1	122.9610	12.337	18	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:3:1:	C[6,6]-4:C[6,6]-3:C-3:	C[4,6,6]-4:C[6,6]-3:O-1:	C[6,6]-3:C[6a]-3:H-1:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(O)	C(C[6,6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]H){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(O){3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2)(C[6a]C[6a]2)(H)	115.3110	0.000	1	115.3110	0.000	1	115.3110	0.000	1	122.9610	12.337	18	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:3:1:	C[6,6]-4:C[6,6]-3:C-3:	C[4,6,6]-4:C[6,6]-3:O-1:	C[6,6]-3:C[6a]-3:O-1:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]O)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(O)	C(C[6,6]C[6,6]2)(C[6a]C[6a]2)(O)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]O){2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(O){3|C<4>,4|H<1>}	C(C[6,6]C[6,6]2)(C[6a]C[6a]2)(O)	118.3380	0.000	1	118.3380	0.000	1	118.3380	0.000	1	122.9610	12.337	18	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:4:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C-4:O-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CCO)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)	C(C[6,6]C[3x6]C[6,6])(CH3)(O)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(CCO){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6,6]C[3x6]C[6,6])(CH3)(O)	124.8190	0.000	1	124.8190	0.000	1	123.3126	0.725	5	123.3126	0.725	5	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:4:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C-4:O-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CCO)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]C)(H)	C(C[6,6]C[3x6]C[6,6])(CH3)(O)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CCO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C(C[6,6]C[3x6]C[6,6])(CH3)(O)	122.8575	0.200	2	122.9360	0.022	4	123.3126	0.725	5	123.3126	0.725	5	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:1:	3:4:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C-4:O-1:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CCO)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]C)(H)	C(C[6,6]C[3x6]C[6,6])(CH3)(O)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CCO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]C)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C(C[6,6]C[3x6]C[6,6])(CH3)(O)	123.0145	0.022	2	122.9360	0.022	4	123.3126	0.725	5	123.3126	0.725	5	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:2:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:S-2:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]S)(COO)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(SC)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]S)(COO){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(SC){1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	129.2860	0.000	1	129.2860	0.000	1	129.2860	0.000	1	129.2860	0.000	1	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:2:	3:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:N-2:	C[6,6]-3:C[6a]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CC[6a]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(NC[6a])	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CC[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(NC[6a]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)	121.3570	0.414	3	121.3570	0.172	3	121.3570	0.172	3	121.3570	0.172	3	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:1:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:O-1:O-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]C)(COO)	C(C[6,6]C[3x6]C[6,6])(O)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|C<4>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]C)(COO){1|Fe<10>,1|H<1>,2|C<4>,4|C<3>}	C(C[6,6]C[3x6]C[6,6])(O)2	125.9230	0.000	1	125.9230	0.000	1	125.3860	0.577	2	125.3860	0.577	2	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:1:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:O-1:O-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C(C[6,6]C[3x6]C[6,6])(O)2	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6])(O)2	124.8490	0.000	1	124.8490	0.000	1	125.3860	0.577	2	125.3860	0.577	2	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:2:1:	B[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:O-2:O-1:	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]C)(COO)	C(C[6,6]B[3x6]C[6,6])(OC)(O)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]C)(COO){3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]C)(COO){1|N<3>,2|C<3>,2|H<1>}	C(C[6,6]B[3x6]C[6,6])(OC)(O)	128.2090	0.000	1	128.2090	0.000	1	128.2090	0.000	1	126.2085	4.196	29	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	B[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]C)(COO)	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]C)(COO)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]B[3x6]C)(COO){1|N<3>,2|C<3>,2|H<1>}	C[6,6](B[3x6]C[6,6]2N[6])(C[6,6]C[3x6]C)(COO){3|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	127.3520	0.000	1	127.3520	0.000	1	127.3520	0.000	1	126.2085	4.196	29	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]C)(COO){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]C)(COO){1|C<4>,2|C<3>,3|H<1>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	127.4595	1.041	4	127.4595	1.083	4	126.2387	3.989	25	126.2085	4.196	29	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|C<4>,4|C<3>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	123.3060	0.000	1	124.9140	5.171	2	126.2387	3.989	25	126.2085	4.196	29	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){5|C<3>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	126.5220	0.000	1	124.9140	5.171	2	126.2387	3.989	25	126.2085	4.196	29	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]C)(COO){1|Fe<10>,1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|C<4>,4|C<3>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	124.2227	2.473	3	124.2227	6.117	3	126.2387	3.989	25	126.2085	4.196	29	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C)(COO)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|C<4>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	122.1790	0.000	1	124.7410	13.128	2	126.2387	3.989	25	126.2085	4.196	29	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C)(COO)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){5|C<3>}	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	127.3030	0.000	1	124.7410	13.128	2	126.2387	3.989	25	126.2085	4.196	29	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]C)(COO)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|C<4>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]C)(COO){1|Fe<10>,1|H<1>,2|C<4>,4|C<3>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	126.9120	0.000	1	126.9120	0.000	1	126.2387	3.989	25	126.2085	4.196	29	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]C)(COO)	C(C[6,6]C[3x6]C[6,6])(OH)(O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|C<4>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2C[5])(C[6,6]C[3x6]C)(COO){1|Fe<10>,1|H<1>,2|C<4>,4|C<3>}	C(C[6,6]C[3x6]C[6,6])(OH)(O)	126.3050	0.000	1	126.3050	0.000	1	126.2387	3.989	25	126.2085	4.196	29	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	127.1780	0.287	3	127.1780	0.082	3	126.2387	3.989	25	126.2085	4.196	29	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]2Pd)(C[6,6]C[3x6]C)(COO)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|Pd<4>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2Pd)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	126.1760	0.000	1	126.1760	0.000	1	126.2387	3.989	25	126.2085	4.196	29	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[6,6,6a]2Pd)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[6,6,6a]2Pd)(C[6,6]C[3x6]C)(COO){1|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(COO){1|Pd<4>,4|C<3>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	129.2630	0.000	1	129.2630	0.000	1	126.2387	3.989	25	126.2085	4.196	29	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(CC[6a]O)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO){2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(CC[6a]O){2|H<1>,3|C<3>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	122.6200	0.000	1	122.6200	0.000	1	126.2387	3.989	25	126.2085	4.196	29	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO){2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO){2|H<1>,3|C<3>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	127.5615	0.867	4	127.5615	0.751	4	126.2387	3.989	25	126.2085	4.196	29	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]C)(COO)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(COO){1|C<3>,1|O<1>,1|P<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]C)(COO){1|C<4>,1|W<6>,2|C<3>,2|H<1>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	125.3440	0.000	1	125.3440	0.000	1	126.2387	3.989	25	126.2085	4.196	29	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(COO)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]C)(COO){1|C<4>,1|W<6>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(COO){1|C<3>,1|O<1>,1|P<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	125.7510	0.000	1	125.7510	0.000	1	126.2387	3.989	25	126.2085	4.196	29	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:2:1:	C[3x6]-4:C[6,6]-3:C-3:	P[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:O-2:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]C)(COO)	C[6,6](P[3x6]C[6,6]2Pd)(C[6,6]C[3x6]C)(COO)	C(C[6,6]C[3x6]C[6,6])(OC)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]C)(COO){1|Pd<4>,1|C<4>,3|C<3>}	C[6,6](P[3x6]C[6,6]2Pd)(C[6,6]C[3x6]C)(COO){1|H<1>,1|P<4>,3|C<3>}	C(C[6,6]C[3x6]C[6,6])(OC)(O)	122.1600	0.000	1	122.1600	0.000	1	122.1600	0.000	1	126.2085	4.196	29	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:2:1:	P[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:O-2:O-1:	C[6,6](P[3x6]C[6,6]2Pd)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]C)(COO)	C(C[6,6]C[6,6]P[3x6])(OC)(O)	C[6,6](P[3x6]C[6,6]2Pd)(C[6,6]C[3x6]C)(COO){1|H<1>,1|P<4>,3|C<3>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]P[3x6]C)(COO){1|Pd<4>,1|C<4>,3|C<3>}	C(C[6,6]C[6,6]P[3x6])(OC)(O)	126.3590	0.000	1	126.3590	0.000	1	126.3590	0.000	1	126.2085	4.196	29	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:C[6a]-3:O-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(CC[6a]O)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO)	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(CC[6a]O){2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(COO){2|H<1>,3|C<3>}	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	126.6300	0.000	1	126.6300	0.000	1	124.9267	6.924	3	126.1320	12.656	6	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:C[6a]-3:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(CC[6a]O)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]C)(CC[6a]O)	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(CC[6a]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]C)(CC[6a]O){1|C<3>,1|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	121.8960	0.000	1	121.8960	0.000	1	124.9267	6.924	3	126.1320	12.656	6	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:C[6a]-3:O-1:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]C)(CC[6a]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(CC[6a]O)	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]C)(CC[6a]O){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(CC[6a]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	126.2540	0.000	1	126.2540	0.000	1	124.9267	6.924	3	126.1320	12.656	6	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6]-3:C-3:H-1:	C[6,6](C[3x6]C[6,6,6a]2Te)(C[6,6]C[3x6]C[6a])(CCH)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(C[6a]C[6a]2)	C(C[6,6]C[3x6]C[6,6])(CC[6a]Te)(H)	C[6,6](C[3x6]C[6,6,6a]2Te)(C[6,6]C[3x6]C[6a])(CCH){1|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(C[6a]C[6a]2){1|Te<2>,2|H<1>,6|C<3>}	C(C[6,6]C[3x6]C[6,6])(CC[6a]Te)(H)	129.6510	0.000	1	129.6510	0.000	1	129.6510	0.000	1	126.1320	12.656	6	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:3:1:	C[3x6]-4:C[6,6]-3:C-3:	C[4x6]-4:C[6,6]-3:C-3:	C[6,6]-3:C-3:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]C)(CCH)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(CCO)	C(C[6,6]C[3x6]C[6,6])(CCC)(H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]C)(CCH){1|C<3>,1|O<1>,2|C<4>}	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(CCO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[6,6]C[3x6]C[6,6])(CCC)(H)	130.2230	0.000	1	130.2230	0.000	1	130.2230	0.000	1	126.1320	12.656	6	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C	4:3:3:	4:3:3:	3:3:1:	C[4x6]-4:C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6]-3:C-3:O-1:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(CCO)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]C)(CCH)	C(C[6,6]C[4x6]C[6,6])(CCC)(O)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(CCO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]C)(CCH){1|C<3>,1|O<1>,2|C<4>}	C(C[6,6]C[4x6]C[6,6])(CCC)(O)	122.1380	0.000	1	122.1380	0.000	1	122.1380	0.000	1	126.1320	12.656	6	124.1066	8.227	117	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:2:3:	3:3:3:	3:2:1:	C[6,6]-3:N[6]-2:C-3:	C[6,6,6a]-3:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6,6a]C[6])(N[6]N[6])(COO)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)(C[6]N[6]C)	C(C[6]C[6,6]N[6])(OC)(O)	C[6](C[6,6]C[6,6,6a]C[6])(N[6]N[6])(COO){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<2>,2|C<4>,2|N<3>}	C(C[6]C[6,6]N[6])(OC)(O)	122.8580	0.000	1	122.8580	0.000	1	122.8580	0.000	1	121.9900	1.507	2	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:2:3:	3:3:3:	3:2:1:	C[6,6]-3:N[6]-2:C-3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(COO)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C)	C(C[6]C[6,6]N[6])(OC)(O)	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(COO){1|B<4>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C(C[6]C[6,6]N[6])(OC)(O)	121.1220	0.000	1	121.1220	0.000	1	121.1220	0.000	1	121.9900	1.507	2	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:2:3:	3:3:3:	3:4:1:	C[6,6]-3:N[6]-2:C-3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C-4:O-1:	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CCO)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C)	C(C[6]C[6,6]N[6])(CH3)(O)	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CCO){1|B<4>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C(C[6]C[6,6]N[6])(CH3)(O)	122.7980	0.000	1	122.7980	0.000	1	122.7980	0.000	1	122.7980	0.000	1	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:2:3:	3:4:3:	3:2:1:	C[6,6]-3:O[6]-2:C-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C-2:H-1:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6])(CCH)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]S[6]HH)(C[6]O[6]C)	C(C[6]C[6,6]O[6])(CN)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6])(CCH){1|S<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]S[6]HH)(C[6]O[6]C){1|C<4>,3|C<3>}	C(C[6]C[6,6]O[6])(CN)(H)	125.8420	0.000	1	125.8420	0.000	1	126.6830	0.408	5	126.6830	0.408	5	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:2:3:	3:4:3:	3:2:1:	C[6,6]-3:O[6]-2:C-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C-2:H-1:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]C)	C(C[6]C[6,6]O[6])(CN)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]C){3|C<3>,3|H<1>}	C(C[6]C[6,6]O[6])(CN)(H)	126.3940	0.000	1	126.3940	0.000	1	126.6830	0.408	5	126.6830	0.408	5	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:2:3:	3:4:3:	3:2:1:	C[6,6]-3:O[6]-2:C-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C-2:H-1:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]S[6]HH)(C[6]O[6]C)	C(C[6]C[6,6]O[6])(CN)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH){1|S<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]S[6]HH)(C[6]O[6]C){1|C<4>,3|C<3>}	C(C[6]C[6,6]O[6])(CN)(H)	127.0597	0.456	3	127.0597	0.208	3	126.6830	0.408	5	126.6830	0.408	5	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:2:3:	4:4:3:	3:2:1:	C[6,6]-3:O[6]-2:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(COO)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]C)	C(C[6]C[6,6]O[6])(OC)(O)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(COO){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]C){2|C<4>,6|H<1>}	C(C[6]C[6,6]O[6])(OC)(O)	124.7730	0.000	1	124.7730	0.000	1	124.7730	0.000	1	124.7730	0.000	1	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:3:3:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:C-3:	N[6,6]-3:C[6]-3:N[6]-2:	C[6]-3:C[6a]-3:O-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(CC[6a]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]C)(N[6]C[6])	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(CC[6a]O){2|C<3>,2|C<4>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]C)(N[6]C[6]){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	119.4430	0.000	1	119.4430	0.000	1	119.4430	0.000	1	119.4430	0.000	1	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:3:3:	3:3:3:	3:1:1:	C[6,6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CHH)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CHH){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H){1|Ru<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6,6]C[6])(H)2	116.9700	0.000	1	116.9700	0.000	1	116.9700	0.000	1	120.6490	27.070	2	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:3:3:	3:3:3:	3:1:1:	C[6,6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:H-1:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHO)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6,6]C[6])(H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6,6]C[6])(H)(O)	124.3280	0.000	1	124.3280	0.000	1	124.3280	0.000	1	120.6490	27.070	2	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:3:3:	3:3:3:	3:3:1:	N[5a,6]-3:C[6,6]-3:C-3:	C[6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6a]-3:O-1:	C[6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(CC[6a]O)	C[6,6](C[6]N[5a,6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C(C[6]N[5a,6]C[6,6])(C[6a]C[6a]2)(O)	C[6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(CC[6a]O){1|H<1>,1|O<1>,5|C<3>}	C[6,6](C[6]N[5a,6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C(C[6]N[5a,6]C[6,6])(C[6a]C[6a]2)(O)	127.1690	0.000	1	127.1690	0.000	1	127.1690	0.000	1	127.1690	0.000	1	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:3:3:	3:3:3:	3:4:1:	C[6,6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(CCO)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6,6]C[6])(CH3)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(CCO){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6])(CH3)(O)	120.1730	0.000	1	120.1730	0.000	1	120.1730	0.000	1	120.1730	0.000	1	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:3:3:	4:3:2:	3:3:1:	C[6,6]-3:C[6]-3:C-3:	C[3x6]-4:C[6]-3:O[6]-2:	C[6]-3:C[6a]-3:O-1:	C[6](C[6,6]C[3x6]O[6])(C[6]C[6,6]O)(CC[6a]O)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6](C[6,6]C[3x6]O[6])(C[6]C[6,6]O)(CC[6a]O){1|C<3>,5|C<4>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){2|O<1>,4|H<1>,5|C<4>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	120.9397	0.869	3	120.9397	0.755	3	120.9397	0.755	3	120.9397	0.755	3	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:3:3:	4:3:3:	3:2:1:	C[5,6]-3:C[6,6]-3:C-3:	C[6,6]-4:N[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]N[6])(COO)	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	C(C[6]C[5,6]C[6,6])(OC)(O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]N[6])(COO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|C<4>,5|C<3>}	C(C[6]C[5,6]C[6,6])(OC)(O)	118.8305	0.337	2	118.8305	0.114	2	119.0217	0.167	3	119.3423	0.522	4	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:3:3:	4:3:3:	3:2:1:	C[5,6]-3:C[6,6]-3:C-3:	C[6,6]-4:N[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]N[6])(COO)	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	C(C[6]C[5,6]C[6,6])(OC)(O)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]N[6])(COO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[5,6]C[6,6])(OC)(O)	119.4040	0.000	1	119.4040	0.000	1	119.0217	0.167	3	119.3423	0.522	4	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:3:3:	4:3:3:	3:2:1:	C[6,6]-3:C[6]-3:C-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(COO)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]C)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(COO){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C(C[6]C[6,6]C[6])(OC)(O)	120.3040	0.000	1	120.3040	0.000	1	120.3040	0.000	1	119.3423	0.522	4	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:3:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6a]-3:O-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(CC[6a]O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(C[6]C[6]C)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(CC[6a]O){2|O<2>,5|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	121.7840	0.000	1	121.7840	0.000	1	121.7840	0.000	1	121.7840	0.000	1	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:3:3:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:C-3:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C-4:O-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(CCO)	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]C)(C[6]C[6]O)	C(C[6]C[6,6]C[6])(CH3)(O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(CCO){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]C)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6])(CH3)(O)	123.4360	0.000	1	123.4360	0.000	1	123.4360	0.000	1	123.4360	0.000	1	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:3:3:	4:3:3:	3:4:3:	C[6,6]-3:C[6]-3:C-3:	C[5,6,6]-4:C[5,6,6]-3:C[6]-3:	C[6]-3:C-4:C-3:	C[6](C[6,6]C[5,6,6]2)(C[6]C[6]O)(CCC)	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]C[5,6]2)(C[6]C[6]C)	C(C[6]C[6,6]C[6])(CH3)(COO)	C[6](C[6,6]C[5,6,6]2)(C[6]C[6]O)(CCC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]C[5,6]2)(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,7|C<4>}	C(C[6]C[6,6]C[6])(CH3)(COO)	128.2680	0.000	1	128.2680	0.000	1	128.2680	0.000	1	128.2680	0.000	1	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	3:2:3:	3:3:1:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:O[6]-2:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	120.8360	0.000	1	120.3317	0.191	3	120.3317	0.191	3	119.3280	4.157	4	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	3:2:3:	3:3:1:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:O[6]-2:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C){1|C<3>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	120.1000	0.000	1	120.3317	0.191	3	120.3317	0.191	3	119.3280	4.157	4	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	3:2:3:	3:3:1:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:O[6]-2:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	120.0590	0.000	1	120.3317	0.191	3	120.3317	0.191	3	119.3280	4.157	4	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	3:2:3:	3:3:1:	C[6,6]-3:C[6]-4:C-3:	N[6,6]-3:N[6]-2:C[6]-3:	C[5a]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[5a]H)	C[6,6](N[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]C)	C(C[5a]C[5a]O[5a])(C[6]C[6,6]C[6])(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[5a]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]C){1|C<4>,1|S<1>,2|C<3>,4|H<1>}	C(C[5a]C[5a]O[5a])(C[6]C[6,6]C[6])(H)	116.3170	0.000	1	116.3170	0.000	1	116.3170	0.000	1	119.3280	4.157	4	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	121.5200	0.000	1	121.5200	0.000	1	121.3735	0.043	2	121.3735	0.043	2	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CC[6a]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CC[6a]H){1|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){2|C<3>,2|N<3>,5|H<1>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	121.2270	0.000	1	121.2270	0.000	1	121.3735	0.043	2	121.3735	0.043	2	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	3:3:3:	3:1:1:	C[6,6]-3:C[6]-4:C-3:	N[6]-3:N[6,6]-3:C[6]-3:	C[6]-3:H-1:O-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CHO)	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]C)	C(C[6]C[6,6]C[6])(H)(O)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CHO){1|C<4>,2|C<3>,3|H<1>}	C[6,6](N[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6])(H)(O)	119.6815	0.419	2	119.6815	0.176	2	119.6815	0.176	2	119.6815	0.176	2	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-3:N[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(COO)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(N[6]C[6]H)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(OC)(O)	120.2220	0.000	1	120.2220	0.000	1	120.2220	0.000	1	120.2220	0.000	1	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C-3:	N[6,6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6a]-3:O-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	120.0640	0.000	1	120.0892	0.109	4	120.0892	0.109	4	120.3154	0.337	5	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C-3:	N[6,6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6a]-3:O-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	120.2270	0.474	2	120.0892	0.109	4	120.0892	0.109	4	120.3154	0.337	5	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C-3:	N[6,6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6a]-3:O-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O)	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O){1|N<3>,2|H<1>,3|C<4>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(N[6]C[6]H){1|C<3>,2|C<4>,7|H<1>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	119.8390	0.000	1	120.0892	0.109	4	120.0892	0.109	4	120.3154	0.337	5	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C-3:	N[6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]C)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	121.2200	0.000	1	121.2200	0.000	1	121.2200	0.000	1	120.3154	0.337	5	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	4:3:3:	3:1:1:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CHH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CHH){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6])(H)2	122.2360	0.000	1	122.2380	0.000	2	121.0950	3.919	3	121.0950	3.919	3	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	4:3:3:	3:1:1:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CHH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CHH){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(H)2	122.2400	0.000	1	122.2380	0.000	2	121.0950	3.919	3	121.0950	3.919	3	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	4:3:3:	3:1:1:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2H)(CHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2H)(CHH){2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(H)2	118.8090	0.000	1	118.8090	0.000	1	121.0950	3.919	3	121.0950	3.919	3	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5]C[6]H)(CC[6]H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6,6]C[6])(C[6]C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5]C[6]H)(CC[6]H){1|C<3>,3|H<1>,6|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(C[6]C[6]O[6]O)(H)	117.5900	0.014	2	117.5900	0.000	2	117.5900	0.000	2	117.5900	0.000	2	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	4:4:3:	3:2:1:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(COO)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(COO){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C){2|C<3>,4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(OC)(O)	121.0855	0.233	2	121.0855	0.054	2	123.0492	4.440	5	123.0492	4.440	5	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	4:4:3:	3:2:1:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C(C[6]C[6,6]C[6])(OH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6])(OH)(O)	123.8720	0.000	1	123.8720	0.000	1	123.0492	4.440	5	123.0492	4.440	5	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	4:4:3:	3:2:1:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(COO)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(COO){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|N<3>,2|C<3>,6|H<1>}	C(C[6]C[6,6]C[6])(OC)(O)	124.6015	2.121	2	124.6015	4.497	2	123.0492	4.440	5	123.0492	4.440	5	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(CCH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	C(C[6]C[6,6]C[6])(CHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(CCH){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6])(CHH)(H)	124.0590	0.000	1	124.0590	0.000	1	125.0891	1.553	7	125.0891	1.553	7	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C)	C(C[6]C[6,6]C[6])(CHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6])(CHH)(H)	123.5600	0.000	1	123.5600	0.000	1	125.0891	1.553	7	125.0891	1.553	7	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	C(C[6]C[6,6]C[6])(CCH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6])(CCH)(H)	125.9815	0.756	4	125.9815	0.571	4	125.0891	1.553	7	125.0891	1.553	7	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	C(C[6]C[6,6]C[6])(CHH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCH){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6])(CHH)(H)	124.0790	0.000	1	124.0790	0.000	1	125.0891	1.553	7	125.0891	1.553	7	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C-4:O-1:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(CCO)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]C)	C(C[6]C[6,6]C[6])(CH3)(O)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(CCO){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]C){1|O<2>,5|C<4>,7|H<1>}	C(C[6]C[6,6]C[6])(CH3)(O)	129.7100	0.000	1	129.7100	0.000	1	129.7100	0.000	1	129.7100	0.000	1	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	3:4:3:	4:4:3:	3:4:3:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C-4:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCC)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	C(C[6]C[6,6]C[6])(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(CCC){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6])(CH3)(CHH)	125.6640	0.000	1	125.6640	0.000	1	125.6640	0.000	1	125.6640	0.000	1	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	4:3:3:	3:3:3:	3:3:1:	C[6,6]-4:C[6,6]-3:C-3:	N[6,6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6a]-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]N[6])(CC[6a]O)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H)	C(C[6]C[6,6]2)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]N[6])(CC[6a]O){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H){4|C<4>,6|H<1>}	C(C[6]C[6,6]2)(C[6a]C[6a]2)(O)	119.9827	0.406	3	120.1677	0.247	4	120.1677	0.247	4	120.4158	0.493	5	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	4:3:3:	3:3:3:	3:3:1:	C[6,6]-4:C[6,6]-3:C-3:	N[6,6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6a]-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]N[6])(CC[6a]O)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H)	C(C[6]C[6,6]2)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]N[6])(CC[6a]O){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6,6]C)(N[6]C[6]H){5|C<4>,5|H<1>}	C(C[6]C[6,6]2)(C[6a]C[6a]2)(O)	120.7230	0.000	1	120.1677	0.247	4	120.1677	0.247	4	120.4158	0.493	5	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6,6]-3:C-3:	N[6,6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6,6]N[6,6]N[6])(CC[6]O)	C[6,6](N[6,6]C[5,6]C[6])(C[6]C[6]C)(N[6]C[6]H)	C(C[6]C[6,6]C[6])(C[6]C[6]2)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6,6]N[6,6]N[6])(CC[6]O){2|C<3>,2|H<1>,4|C<4>}	C[6,6](N[6,6]C[5,6]C[6])(C[6]C[6]C)(N[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6])(C[6]C[6]2)(O)	121.4080	0.000	1	121.4080	0.000	1	121.4080	0.000	1	120.4158	0.493	5	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	4:3:3:	4:3:3:	3:2:1:	C[5,6]-4:C[6,6]-3:C-3:	C[6,6]-4:N[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6,6]N[6])(COO)	C[6,6](C[6,6]C[5a,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C)	C(C[6]C[5,6]C[6,6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6,6]N[6])(COO){1|N<3>,1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[5a,6]S[6]H)(N[6]C[6,6a]H)(C[6]C[5,6]C){1|N<3>,5|C<3>}	C(C[6]C[5,6]C[6,6])(OC)(O)	118.7010	0.000	1	118.7010	0.000	1	118.7010	0.000	1	119.3420	0.822	2	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]2)(COO)	C[6,6](C[6,6]C[6,6]S[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]C)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]2)(COO){1|C<4>,2|H<1>,2|S<2>,4|C<3>}	C[6,6](C[6,6]C[6,6]S[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]C){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C(C[6]C[6,6]C[6])(OC)(O)	119.9830	0.000	1	119.9830	0.000	1	119.9830	0.000	1	119.3420	0.822	2	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6,6]	C	4:3:3:	4:4:3:	3:2:1:	C[6]-4:C[6,6]-3:C-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(COO)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6,6]C[6,6]C[6])(COO){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]C){3|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6])(OC)(O)	120.7003	0.795	3	120.7003	0.632	3	120.7003	0.632	3	120.7003	0.632	3	122.0227	8.988	67	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	2:3:3:	2:3:1:	3:2:1:	O[6]-2:C[6]-3:C-3:	O[6]-2:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]O[6]H)(COO)	C[6](O[6]C[6,6a])(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(OC)(O)	C[6](O[6]C[6,6a])(C[6]O[6]H)(COO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]C)(H){2|C<3>}	C(C[6]C[6]O[6])(OC)(O)	120.9460	0.000	1	120.9460	0.000	1	120.9460	0.000	1	120.9460	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	2:3:3:	2:3:1:	3:3:1:	O[6]-2:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6](O[6]C[6,6a])(C[6]O[6]O)(CN[6]H)	C[6](O[6]C[6,6a])(C[6]O[6]C)(O)	C(C[6]C[6]O[6])(N[6]C[6]2)(H)	C[6](O[6]C[6,6a])(C[6]O[6]O)(CN[6]H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]O[6]C)(O){2|C<3>}	C(C[6]C[6]O[6])(N[6]C[6]2)(H)	117.6780	0.000	1	117.6780	0.000	1	117.6780	0.000	1	117.6780	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	2:3:3:	2:3:1:	3:4:1:	N[6]-2:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCH)	C[6](O[6]C[5,6,6])(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(CCCH)(H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCH){2|C<4>}	C[6](O[6]C[5,6,6])(C[6]N[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CCCH)(H)	118.8780	0.000	1	118.8780	0.000	1	118.8780	0.000	1	121.4593	4.997	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	2:3:3:	2:3:1:	3:4:1:	S[6]-2:C[6]-3:C-3:	S[6]-2:C[6]-3:H-1:	C[6]-3:C[5]-4:O-1:	C[6](S[6]C[5x3,5x5,21x6])(C[6]S[6]H)(CC[5]O)	C[6](S[6]C[5x3,5x5,21x6])(C[6]S[6]C)(H)	C(C[6]C[6]S[6])(C[5]C[5]2Fe)(O)	C[6](S[6]C[5x3,5x5,21x6])(C[6]S[6]H)(CC[5]O){1|C<6>,4|B<6>}	C[6](S[6]C[5x3,5x5,21x6])(C[6]S[6]C)(H){1|C<6>,4|B<6>}	C(C[6]C[6]S[6])(C[5]C[5]2Fe)(O)	122.7500	0.000	2	122.7500	0.000	2	122.7500	0.000	2	121.4593	4.997	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	2:3:3:	2:3:1:	3:4:3:	N[6]-2:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6]-3:C-4:C-3:	C[6](N[6]C[3x6])(C[6]O[6]O)(CCC)	C[6](O[6]C[3x6])(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(CH3)(CCO)	C[6](N[6]C[3x6])(C[6]O[6]O)(CCC){2|C<4>}	C[6](O[6]C[3x6])(C[6]N[6]C)(O){1|C<3>,2|C<4>}	C(C[6]C[6]N[6])(CH3)(CCO)	120.1220	0.000	1	120.1220	0.000	1	120.1220	0.000	1	120.1220	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	2:3:3:	2:3:2:	3:3:1:	S[6]-2:C[6]-3:C-3:	N[6]-2:C[6]-3:O-2:	C[6]-3:C[6a]-3:H-1:	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H)	C[6](N[6]C[6,6a])(C[6]S[6]C)(OC)	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H){2|C<3>}	C[6](N[6]C[6,6a])(C[6]S[6]C)(OC){2|C<3>}	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	120.3930	0.000	1	120.3930	0.000	1	120.3930	0.000	1	120.3930	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	2:3:3:	2:3:3:	3:1:1:	C[6]-2:C[6]-3:C-3:	C[6]-2:C[6]-3:N-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6,6])(C[6]C[6]N)(CHH)	C[6](C[6]C[6,6])(C[6]C[6]C)(NCH)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6])(C[6]C[6]N)(CHH){2|C<3>}	C[6](C[6]C[6,6])(C[6]C[6]C)(NCH){1|C<3>,1|O<2>}	C(C[6]C[6]2)(H)2	119.7200	0.000	1	119.7200	0.000	1	119.7200	0.000	1	119.7200	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	2:3:3:	3:3:1:	3:2:2:	O[6]-2:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:S-2:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCS)	C[6](C[6]C[6,6a]H)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(CN)(SC)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCS){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]C)(H){2|C<3>}	C(C[6]C[6]O[6])(CN)(SC)	125.8860	0.000	1	125.8860	0.000	1	125.8860	0.000	1	125.8860	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	2:3:3:	3:3:1:	3:3:1:	N[6]-2:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6,6a])(C[6]N[6]H)(CNO)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NHH)(O)	C[6](N[6]C[6,6a])(C[6]N[6]H)(CNO){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(H){2|C<3>}	C(C[6]C[6]N[6])(NHH)(O)	117.6920	0.000	1	117.6920	0.000	1	117.9360	0.119	2	118.3475	6.886	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	2:3:3:	3:3:1:	3:3:1:	N[6]-2:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6,6a])(C[6]N[6]H)(CNO)	C[6](N[6]C[6,6a]Pt)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NHH)(O)	C[6](N[6]C[6,6a])(C[6]N[6]H)(CNO){1|Pt<4>,2|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]N[6]C)(H){2|C<3>}	C(C[6]C[6]N[6])(NHH)(O)	118.1800	0.000	1	118.1800	0.000	1	117.9360	0.119	2	118.3475	6.886	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	2:3:3:	3:3:1:	3:3:1:	O[6]-2:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]C)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(CC[6a]H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCH){3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]O[6]C)(H){2|C<3>}	C(C[6]C[6]O[6])(CC[6a]H)(H)	125.3200	0.000	1	125.3200	0.000	1	125.3200	0.000	1	118.3475	6.886	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	2:3:3:	3:3:1:	3:3:1:	O[6]-2:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]H)	C[6](C[6]C[6,6a]C)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]H){3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]O[6]C)(H){2|C<3>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	122.7810	0.000	1	122.7810	0.000	1	122.7810	0.000	1	118.3475	6.886	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	2:3:3:	3:3:1:	3:3:1:	S[6]-2:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-1:	C[6](S[6]C[6,6a])(C[6]N[6]H)(CC[6a]O)	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(H)	C(C[6]C[6]S[6])(C[6a]C[6a]2)(O)	C[6](S[6]C[6,6a])(C[6]N[6]H)(CC[6a]O){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(H){2|C<3>}	C(C[6]C[6]S[6])(C[6a]C[6a]2)(O)	122.9460	0.000	1	122.9460	0.000	1	122.9460	0.000	1	118.3475	6.886	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	2:3:3:	3:3:1:	3:3:1:	S[6]-2:C[6]-3:C-3:	N[6]-3:C[6]-3:O-1:	C[6]-3:C[6a]-3:H-1:	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H)	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(O)	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(O){2|C<3>}	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	117.3355	1.352	15	117.3355	1.828	15	117.3355	1.828	15	118.3475	6.886	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	2:3:3:	3:3:1:	3:3:3:	O[6]-2:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]2)	C[6](C[6]C[6,6a]H)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(C[6a]C[6a]2)2	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]2){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]C)(H){2|C<3>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)2	126.1620	1.319	2	126.1620	1.741	2	126.1620	1.741	2	126.1620	1.741	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	2:3:3:	3:3:1:	3:3:4:	O[6]-2:C-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:P[6]-4:	C[6](O[6]C[6,6a])(CC[6a]P[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(P[6]O[6]2O)	C[6](O[6]C[6,6a])(CC[6a]P[6])(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]O[6]C)(H){2|C<3>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)(P[6]O[6]2O)	127.1603	1.138	3	127.1603	1.295	3	127.1603	1.295	3	127.1603	1.295	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	2:3:3:	3:3:4:	3:4:1:	S[6]-2:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-1:	C[6](S[6]C[6,6a])(C[6]N[6]C)(CCO)	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3)	C(C[6]C[6]S[6])(CH3)(O)	C[6](S[6]C[6,6a])(C[6]N[6]C)(CCO){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3){2|C<3>}	C(C[6]C[6]S[6])(CH3)(O)	129.3570	0.000	1	129.3570	0.000	1	129.3570	0.000	1	129.3570	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	2:3:3:	4:3:1:	3:2:1:	N[6]-2:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[5,6])(C[6]C[6]H)(COO)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[5,6])(C[6]C[6]H)(COO){1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(H){4|C<3>}	C(C[6]C[6]N[6])(OC)(O)	122.8040	0.000	1	122.8040	0.000	1	122.8040	0.000	1	123.3887	1.597	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	2:3:3:	4:3:1:	3:2:1:	O[6]-2:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](O[6]C[5,6])(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(OC)(O)	C[6](O[6]C[5,6])(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]O[6])(OC)(O)	124.9100	0.000	1	124.9100	0.000	1	123.6674	2.049	5	123.3887	1.597	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	2:3:3:	4:3:1:	3:2:1:	O[6]-2:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](O[6]C[6,6])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(OC)(O)	C[6](O[6]C[6,6])(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]O[6])(OC)(O)	123.1810	1.228	2	123.1810	1.507	2	123.6674	2.049	5	123.3887	1.597	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	2:3:3:	4:3:1:	3:2:1:	O[6]-2:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(OC)(O)	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H){4|C<3>}	C(C[6]C[6]O[6])(OC)(O)	122.0100	0.000	1	122.0100	0.000	1	123.6674	2.049	5	123.3887	1.597	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	2:3:3:	4:3:1:	3:2:1:	O[6]-2:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]HH)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(OC)(O)	C[6](O[6]C[6,6a])(C[6]C[6]H)(COO){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]C)(H){2|C<3>}	C(C[6]C[6]O[6])(OC)(O)	125.0550	0.000	1	125.0550	0.000	1	123.6674	2.049	5	123.3887	1.597	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	2:3:3:	4:3:1:	3:2:1:	O[6]-2:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:S-2:O-1:	C[6](O[6]C[5,6])(C[6]C[6]H)(COS)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(SC)(O)	C[6](O[6]C[5,6])(C[6]C[6]H)(COS){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]O[6])(SC)(O)	122.5800	0.000	1	122.5800	0.000	1	122.5800	0.000	1	123.3887	1.597	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	2:3:3:	4:3:3:	3:3:1:	O[6]-2:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-3:H-1:	C[6](O[6]C[6,6])(C[6]C[6]C)(CCH)	C[6](C[6]C[6]CC)(C[6]O[6]C)(CCO)	C(C[6]C[6]O[6])(CC[6a]H)(H)	C[6](O[6]C[6,6])(C[6]C[6]C)(CCH){1|O<2>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]O[6]C)(CCO){1|C<4>,2|H<1>}	C(C[6]C[6]O[6])(CC[6a]H)(H)	123.0410	0.255	2	123.0410	0.065	2	123.0410	0.065	2	123.0410	0.065	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:2:1:	3:1:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:H-1:H-1:	C[6](C[6]O[6]O)(O[6]C[6])(CHH)	C[6](C[6]O[6]C)(O[6]C[6])(O)	C(C[6]C[6]O[6])(H)2	C[6](C[6]O[6]O)(O[6]C[6])(CHH){1|C<4>,1|O<1>}	C[6](C[6]O[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6])(H)2	122.6320	0.000	1	122.6320	0.000	1	122.6320	0.000	1	122.6320	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:O-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6])(O)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(O){1|C<3>,1|H<1>}	C(C[6]C[6]2)(NC[6a])(H)	121.3170	0.000	1	121.3170	0.000	1	121.3170	0.000	1	121.3170	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]N[6]H)(C[6]C[6])(CNO)	C[6](C[6]C[6]C)(N[6]C[6])(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]N[6]H)(C[6]C[6])(CNO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|C<3>,1|H<1>}	C(C[6]C[6]2)(NHH)(O)	123.7210	0.000	1	123.7210	0.000	1	123.7210	0.000	1	123.7210	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:2:1:	3:3:3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N-3:C-3:	C[6](C[6]C[6]H)(C[6]C[6])(CCN)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6]C[6]2)(NTeC)(CHH)	C[6](C[6]C[6]H)(C[6]C[6])(CCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>}	C(C[6]C[6]2)(NTeC)(CHH)	124.6080	0.000	1	124.6080	0.000	1	124.6080	0.000	1	124.6080	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:O-2:	C[6]-3:C-2:C-2:	C[6](C[6]C[6]O)(C[6]C[6])(CCC)	C[6](C[6]C[6]C)(C[6]C[6])(OC)	C(C[6]C[6]2)(CN)2	C[6](C[6]C[6]O)(C[6]C[6])(CCC){1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6])(OC){2|C<3>}	C(C[6]C[6]2)(CN)2	121.8280	0.000	1	121.8280	0.000	1	121.8280	0.000	1	121.8280	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:2:2:	3:3:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-2:O-2:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]O)(N[6]C[6])(CNO)	C[6](C[6]N[6]C)(C[6]N[6])(OH)	C(C[6]C[6]N[6])(NCC)(O)	C[6](C[6]C[6]O)(N[6]C[6])(CNO){1|C<4>,1|N<3>}	C[6](C[6]N[6]C)(C[6]N[6])(OH){1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(NCC)(O)	123.0820	0.000	1	123.0820	0.000	1	123.0820	0.000	1	123.0820	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:2:2:	3:3:3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:O-2:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](C[6]C[6]O)(C[6]C[6])(CC[5a]2)	C[6](C[6]C[6]C)(C[6]C[6])(OC)	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[6](C[6]C[6]O)(C[6]C[6])(CC[5a]2){1|C<2>}	C[6](C[6]C[6]C)(C[6]C[6])(OC){1|C<2>}	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	116.9580	12.192	2	116.9580	148.643	2	116.9580	148.643	2	116.9580	148.643	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:2:3:	3:1:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]C)(N[6]C[6])(CHH)	C[6](C[6]N[6]C)(N[6]C[6])(CHH)	C(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6])(CHH){1|C<3>,1|C<4>}	C[6](C[6]N[6]C)(N[6]C[6])(CHH){2|C<3>}	C(C[6]C[6]N[6])(H)2	122.3230	0.000	1	122.3885	0.009	2	122.3885	0.009	2	122.3885	0.009	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:2:3:	3:1:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]C)(N[6]C[6])(CHH)	C[6](C[6]N[6]C)(N[6]C[6])(CHH)	C(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6])(CHH){2|C<3>}	C[6](C[6]N[6]C)(N[6]C[6])(CHH){1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(H)2	122.4540	0.000	1	122.3885	0.009	2	122.3885	0.009	2	122.3885	0.009	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:2:3:	3:2:1:	C[6]-3:N[6]-2:C-3:	C[6a]-3:O[6]-2:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]O[6])(N[6]N[6])(COO)	C[6](C[6a]C[6a]2)(O[6]Si[5,6])(C[6]N[6]C)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[6a]O[6])(N[6]N[6])(COO){1|Si<4>,2|C<3>}	C[6](C[6a]C[6a]2)(O[6]Si[5,6])(C[6]N[6]C){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6])(OC)(O)	121.9000	0.000	1	121.9000	0.000	1	121.9000	0.000	1	122.5863	8.755	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:2:3:	3:2:1:	C[6]-3:S[6]-2:C-3:	C[6]-3:S[6]-2:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]S[6]C)(S[6]C[6])(COO)	C[6](C[6]S[6]C)(S[6]C[6])(COO)	C(C[6]C[6]S[6])(OC)(O)	C[6](C[6]S[6]C)(S[6]C[6])(COO){1|C<3>,1|S<2>}	C[6](C[6]S[6]C)(S[6]C[6])(COO){1|C<3>,1|S<2>}	C(C[6]C[6]S[6])(OC)(O)	122.9295	4.099	2	122.9295	16.803	2	122.9295	16.803	2	122.5863	8.755	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:2:3:	3:3:1:	C[6]-3:S[6]-2:C-3:	C[5a]-3:N[6]-2:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[5a]N[6])(S[6]C[5a,6])(CC[6a]H)	C[6](C[5a]C[5a]S[5a])(N[6]N[5a,6])(C[6]S[6]C)	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[5a]N[6])(S[6]C[5a,6])(CC[6a]H){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	C[6](C[5a]C[5a]S[5a])(N[6]N[5a,6])(C[6]S[6]C){1|H<1>,4|C<3>}	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	122.2650	0.000	1	122.2650	0.000	1	122.2650	0.000	1	120.2805	7.876	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:2:3:	3:3:1:	C[6]-3:S[6]-2:C-3:	C[6a]-3:N[6]-2:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6a]N[6])(S[6]C[5a,6])(CCH)	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]C)	C(C[6]C[6]S[6])(CC[6a]O)(H)	C[6](C[6]C[6a]N[6])(S[6]C[5a,6])(CCH){1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[5a,6])(C[6]S[6]C){2|H<1>,4|C<3>}	C(C[6]C[6]S[6])(CC[6a]O)(H)	118.2960	0.000	1	118.2960	0.000	1	118.2960	0.000	1	120.2805	7.876	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:2:4:	3:1:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]C)(N[6]C[6])(CHH)	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6])(CHH){2|C<3>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){2|C<3>}	C(C[6]C[6]N[6])(H)2	122.6140	0.000	1	122.6140	0.000	1	122.6140	0.000	1	122.6140	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:2:4:	3:3:1:	C[6]-3:S[6]-2:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]O[6]C)(S[6]C[6])(CNO)	C[6](C[6]S[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]S[6])(NC[6a]H)(O)	C[6](C[6]O[6]C)(S[6]C[6])(CNO){1|C<4>,2|H<1>}	C[6](C[6]S[6]C)(O[6]C[6])(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]S[6])(NC[6a]H)(O)	122.2670	2.440	3	122.2670	5.956	3	122.2670	5.956	3	121.6620	1.859	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:2:4:	3:3:1:	C[6]-3:S[6]-2:C-3:	C[6]-3:S[6]-2:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]S[6]C)(S[6]C[6])(CNO)	C[6](C[6]S[6]C)(S[6]C[6])(CH3)	C(C[6]C[6]S[6])(NCH)(O)	C[6](C[6]S[6]C)(S[6]C[6])(CNO){2|C<3>}	C[6](C[6]S[6]C)(S[6]C[6])(CH3){1|C<3>,1|C<4>}	C(C[6]C[6]S[6])(NCH)(O)	121.3595	0.512	6	121.3595	0.262	6	121.3595	0.262	6	121.6620	1.859	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(COO)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6])(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>}	C(C[6]C[6]2)(O)2	119.0320	0.000	1	119.0320	0.000	1	119.0320	0.000	1	121.4379	2.810	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(CHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)2	121.5230	1.120	2	121.5230	1.255	2	121.7877	0.837	3	121.4379	2.810	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6])(CHH){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]N[6]C)2(H){1|C<3>}	C(C[6]C[6]N[6])(H)2	122.3170	0.000	1	122.3170	0.000	1	121.7877	0.837	3	121.4379	2.810	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]H)(N[6]C[6])(CHO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(H)(O)	C[6](C[6]C[6]H)(N[6]C[6])(CHO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)(O)	120.8550	0.939	2	120.8550	0.882	2	120.8550	0.882	2	121.4379	2.810	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(N[6]C[6])(COO)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(O)2	C[6](C[6]C[6]H)(N[6]C[6])(COO){1|O<1>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(O)2	124.1510	0.075	2	124.1510	0.006	2	121.8583	4.092	6	121.4379	2.810	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(N[6]C[6])(COO)	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C(C[6]C[6]N[6])(O)2	C[6](C[6]C[6]H)(N[6]C[6])(COO){1|N<3>,2|O<1>}	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(O)2	122.4390	0.000	1	122.4390	0.000	1	121.8583	4.092	6	121.4379	2.810	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(N[6]C[6])(COO)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(O)2	C[6](C[6]C[6]H)(N[6]C[6])(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)2(H){1|Mg<6>,1|C<3>}	C(C[6]C[6]N[6])(O)2	120.4950	0.000	1	120.4950	0.000	1	121.8583	4.092	6	121.4379	2.810	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(N[6]N[6])(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(O)2	C[6](C[6]C[6]H)(N[6]N[6])(COO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|N<3>}	C(C[6]C[6]N[6])(O)2	119.9570	0.717	2	119.9570	0.514	2	121.8583	4.092	6	121.4379	2.810	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]C[6])(COO){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>}	C(C[6]C[6]2)(OC)(O)	122.7120	0.000	1	122.7120	0.000	1	122.7120	0.000	1	121.3861	4.058	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-2:C-3:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a,6]H)(N[6]C[6])(COO)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[5a,6]H)(N[6]C[6])(COO){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OC)(O)	123.8605	0.210	2	123.8605	0.044	2	123.8605	0.044	2	121.3861	4.058	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6])(COO)	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6])(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>}	C(C[6]C[6]N[6])(OH)(O)	122.6505	0.282	2	122.6505	0.080	2	122.6505	0.080	2	121.3861	4.058	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]H)(N[6]C[6])(COO)	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]N[6]H)(N[6]C[6])(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OC)(O)	120.7400	0.000	1	120.7400	0.000	1	119.2480	4.452	2	121.3861	4.058	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]H)(N[6]C[6])(COO)	C[6](C[6]N[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]N[6])(OBi)(O)	C[6](C[6]N[6]H)(N[6]C[6])(COO){1|C<3>,2|H<1>}	C[6](C[6]N[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OBi)(O)	117.7560	0.000	1	117.7560	0.000	1	119.2480	4.452	2	121.3861	4.058	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-2:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]H)(N[6]C[6])(COO)	C[6](N[6]C[6]Hg)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OC[6a])(O)	C[6](C[6]N[6]H)(N[6]C[6])(COO){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OC[6a])(O)	120.8633	0.208	3	120.8633	0.043	3	120.2542	1.513	4	121.3861	4.058	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-2:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]H)(N[6]C[6])(COO)	C[6](N[6]C[6]Hg)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]N[6]H)(N[6]C[6])(COO){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OH)(O)	118.4270	0.000	1	118.4270	0.000	1	120.2542	1.513	4	121.3861	4.058	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CCH)(O)	C[6](C[6]C[6]H)(C[6]C[6])(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCH)(O)	118.1230	0.000	1	118.1230	0.000	1	118.1230	0.000	1	122.1929	6.225	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CC[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]O[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C(C[6]C[6]O[6])(C[6]C[6]2)(H)	116.9300	0.000	1	116.9300	0.000	1	116.9300	0.000	1	122.1929	6.225	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6])(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]C[6])(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ag<3>,1|C<3>}	C(C[6]C[6]2)(NHH)(O)	123.9440	0.000	1	123.9440	0.000	1	123.9440	0.000	1	122.1929	6.225	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6])(CCH)	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Ti<10>,1|C<3>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	121.9375	3.524	2	121.9375	12.415	2	121.9375	12.415	2	122.1929	6.225	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]H)(N[6]N[6])(CN[6]O)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(N[6]C[6]2)(O)	C[6](C[6]C[6]H)(N[6]N[6])(CN[6]O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){2|N<3>}	C(C[6]C[6]N[6])(N[6]C[6]2)(O)	121.0330	0.000	1	121.0330	0.000	1	121.0330	0.000	1	122.1929	6.225	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CCH)	C[6](C[6]N[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CCH){1|C<3>,2|H<1>}	C[6](C[6]N[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	122.3380	0.000	1	122.3380	0.000	1	122.3380	0.000	1	122.1929	6.225	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-2:C-3:	N[5,6]-3:C[6]-3:O-1:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]N[5,6]O)(N[6]C[6])(CC[6a]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]N[5,6]O)(N[6]C[6])(CC[6a]H){1|C<3>,1|C<4>,1|O<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]C)(O){1|C<4>,1|S<2>,3|C<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	117.8640	0.000	1	117.8640	0.000	1	117.8640	0.000	1	122.1929	6.225	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-2:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6])(CCH)	C[6](N[6]C[6]Cu)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]N[6]H)(N[6]C[6])(CCH){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	121.2860	0.031	2	121.2860	0.001	2	121.2860	0.001	2	122.1929	6.225	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-2:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]N[6]H)(N[6]C[6])(CNO)	C[6](N[6]C[6]Au)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NHH)(O)	C[6](C[6]N[6]H)(N[6]C[6])(CNO){1|Au<2>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Au)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NHH)(O)	119.5440	0.000	1	119.5440	0.000	1	119.8949	1.824	7	122.1929	6.225	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-2:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]N[6]H)(N[6]C[6])(CNO)	C[6](N[6]C[6]Zn)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]H)(O)	C[6](C[6]N[6]H)(N[6]C[6])(CNO){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(O)	119.9608	1.897	4	119.9608	3.599	4	119.8949	1.824	7	122.1929	6.225	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-2:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]N[6]H)(N[6]C[6])(CNO)	C[6](N[6]C[6]Zn)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NHH)(O)	C[6](C[6]N[6]H)(N[6]C[6])(CNO){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NHH)(O)	119.9385	0.062	2	119.9385	0.004	2	119.8949	1.824	7	122.1929	6.225	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]H)(O[6]C[6])(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]O[6])(CCH)(H)	122.6397	0.899	4	123.8933	4.267	6	123.8933	4.267	6	122.1929	6.225	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]H)(O[6]C[6])(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6,6]H)(O[6]C[6])(CCH){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|H<1>,3|C<3>}	C(C[6]C[6]O[6])(CCH)(H)	126.4005	0.230	2	123.8933	4.267	6	123.8933	4.267	6	122.1929	6.225	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(O[6]B[6])(CCH)	C[6](C[6]C[6a]O[6])(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(O[6]B[6])(CCH){1|C<3>,1|O<2>,2|F<1>}	C[6](C[6]C[6a]O[6])(C[6]O[6]C)(H){1|B<4>,2|C<3>}	C(C[6]C[6]O[6])(CC[6a]H)(H)	122.7150	0.000	1	122.7150	0.000	1	124.0928	2.092	11	122.1929	6.225	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(O[6]B[6])(CCH)	C[6](C[6]O[6]C)2(H)	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6]H)(O[6]B[6])(CCH){1|C<3>,1|O<2>,2|F<1>}	C[6](C[6]O[6]C)2(H){1|B<4>}	C(C[6]C[6]O[6])(CCH)(H)	121.1560	0.000	1	121.1560	0.000	1	124.0928	2.092	11	122.1929	6.225	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(O[6]B[6])(CCH)	C[6](C[6]O[6]C)2(H)	C(C[6]C[6]O[6])(CC[5a]H)(H)	C[6](C[6]C[6]H)(O[6]B[6])(CCH){1|C<3>,1|O<2>,2|F<1>}	C[6](C[6]O[6]C)2(H){1|B<4>}	C(C[6]C[6]O[6])(CC[5a]H)(H)	123.1935	0.069	2	123.1935	0.005	2	124.0928	2.092	11	122.1929	6.225	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CCH)	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCH){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	C(C[6]C[6]O[6])(CCH)(H)	123.6420	0.000	1	123.6420	0.000	1	124.0928	2.092	11	122.1929	6.225	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CCH)	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(CC[5a]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCH){3|C<3>}	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	C(C[6]C[6]O[6])(CC[5a]H)(H)	125.4395	0.442	2	125.4395	0.195	2	124.0928	2.092	11	122.1929	6.225	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CCH)	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCH){3|C<3>}	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	C(C[6]C[6]O[6])(CC[6a]H)(H)	125.0605	0.579	4	125.0605	0.336	4	124.0928	2.092	11	122.1929	6.225	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[6]O)(O[6]C[6])(CC[6a]H)	C[6](C[6]O[6]C)2(O)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]O)(O[6]C[6])(CC[6a]H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]O[6]C)2(O){1|C<4>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	122.2518	0.698	4	122.2518	0.488	4	122.2518	0.488	4	122.1929	6.225	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]N)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NN)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NN)	119.1310	0.000	1	119.1310	0.000	1	120.0507	1.046	3	120.9140	3.776	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]N)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(NN)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(NN)	120.5105	0.907	2	120.5105	0.823	2	120.0507	1.046	3	120.9140	3.776	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-2:	C[6](C[6]C[6]H)(N[6]N[6])(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NHH)(NO)	C[6](C[6]C[6]H)(N[6]N[6])(CNN){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|N<3>}	C(C[6]C[6]N[6])(NHH)(NO)	122.6360	1.183	3	122.6360	1.399	3	122.6360	1.399	3	120.9140	3.776	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-2:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](C[6]N[6]H)(N[6]C[6])(CNO)	C[6](N[6]C[6]Mn)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCH)(OMn)	C[6](C[6]N[6]H)(N[6]C[6])(CNO){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCH)(OMn)	118.3380	0.000	1	118.3380	0.000	1	118.3380	0.000	1	120.9140	3.776	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6])(CC[5a]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6])(CC[5a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	122.0180	0.000	1	122.0180	0.000	1	122.0180	0.000	1	120.7238	1.913	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6])(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6]N)(NCdN)	C[6](C[6]C[6]H)(C[6]C[6])(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6]N)(NCdN)	119.1830	0.000	1	119.1830	0.000	1	119.5325	0.244	2	120.7238	1.913	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6])(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6]N)(NCuN)	C[6](C[6]C[6]H)(C[6]C[6])(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6]N)(NCuN)	119.8820	0.000	1	119.8820	0.000	1	119.5325	0.244	2	120.7238	1.913	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-3:	C[6](C[6]C[6]H)(C[6]C[6])(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NTeC)(CHH)	C[6](C[6]C[6]H)(C[6]C[6])(CCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>}	C(C[6]C[6]2)(NTeC)(CHH)	120.1950	0.000	1	120.1950	0.000	1	120.1950	0.000	1	120.7238	1.913	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CRuC)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]C){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CRuC)	122.3410	0.000	1	122.3410	0.000	1	122.3410	0.000	1	120.7238	1.913	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)(C[6]C[6])(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CHHS)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C(C[6]C[6]2)(CHHS)(H)	120.5670	0.000	1	120.5670	0.000	1	120.5670	0.000	1	120.5670	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:4:2:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-2:	C[6](C[6]C[6]H)(C[6]C[6])(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CCHH)(NN)	C[6](C[6]C[6]H)(C[6]C[6])(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCHH)(NN)	120.4030	0.000	1	120.4030	0.000	1	119.9385	0.432	2	120.0293	0.241	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:4:2:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-2:	C[6](C[6]C[6]H)(C[6]C[6])(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CH3)(NS)	C[6](C[6]C[6]H)(C[6]C[6])(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CH3)(NS)	119.4740	0.000	1	119.4740	0.000	1	119.9385	0.432	2	120.0293	0.241	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:1:	3:4:2:	C[6]-3:N[6]-2:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-2:	C[6](C[6]N[6]H)(N[6]C[6])(CCN)	C[6](N[6]C[6]Sn)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CH3)(NN)	C[6](C[6]N[6]H)(N[6]C[6])(CCN){1|Sn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CH3)(NN)	120.2110	0.000	1	120.2110	0.000	1	120.2110	0.000	1	120.0293	0.241	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:C-1:C-1:	C[6](C[6]C[6]N)(C[6]C[6])(CCC)	C[6](C[6]C[6]C)2(NC)	C(C[6]C[6]2)(C)2	C[6](C[6]C[6]N)(C[6]C[6])(CCC){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)2(NC){1|C<2>}	C(C[6]C[6]2)(C)2	121.8845	1.992	2	121.8845	3.968	2	121.8845	3.968	2	122.2066	0.915	8	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:S-2:	C[6]-3:C-1:C-1:	C[6](C[6]C[6]S)(C[6]C[6])(CCC)	C[6](C[6]C[6]C)2(SC[6a])	C(C[6]C[6]2)(C)2	C[6](C[6]C[6]S)(C[6]C[6])(CCC){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)2(SC[6a]){1|C<2>}	C(C[6]C[6]2)(C)2	122.3580	0.677	4	122.3580	0.459	4	122.3580	0.459	4	122.2066	0.915	8	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:2:	3:1:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]O)(N[6]C[6])(CHH)	C[6](C[6]C[6]C)(C[6]N[6]C)(OFe)	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]O)(N[6]C[6])(CHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(OFe){1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(H)2	122.8440	0.000	1	122.8440	0.000	1	122.8440	0.000	1	122.2066	0.915	8	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:2:	3:1:1:	C[6]-3:S[6]-2:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]O)(S[6]C[6])(CHO)	C[6](C[6]C[6]S)(C[6]S[6]C)(ORu)	C(C[6]C[6]S[6])(H)(O)	C[6](C[6]C[6]O)(S[6]C[6])(CHO){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(C[6]S[6]C)(ORu){1|C<3>,1|H<1>}	C(C[6]C[6]S[6])(H)(O)	121.6080	0.000	1	121.6080	0.000	1	121.6080	0.000	1	122.2066	0.915	8	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]2)(C[6]C[6])(COO)	C[6](C[6]C[6,6]2)(C[6]C[6]C)(C[6]C[6])	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]2)(C[6]C[6])(COO){1|H<1>,3|C<3>}	C[6](C[6]C[6,6]2)(C[6]C[6]C)(C[6]C[6]){1|H<1>,2|C<2>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	122.7790	0.000	1	122.7790	0.000	1	122.7790	0.000	1	124.1124	12.957	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:2:	3:2:1:	C[6]-3:N[6]-2:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(N[6]N[6])(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(ORu)	C(C[6]C[6]N[6])(ORu)(O)	C[6](C[6]C[6,6a]O)(N[6]N[6])(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(ORu){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(ORu)(O)	125.5000	1.059	2	125.5000	1.122	2	123.2330	15.979	3	124.1124	12.957	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:2:	3:2:1:	C[6]-3:N[6]-2:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6])(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6])(COO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(OC)(O)	118.6990	0.000	1	118.6990	0.000	1	123.2330	15.979	3	124.1124	12.957	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:2:	3:2:1:	C[6]-3:S[6]-2:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]O)(S[6]C[6])(COO)	C[6](C[6]C[6]S)(C[6]S[6]C)(OH)	C(C[6]C[6]S[6])(OC)(O)	C[6](C[6]C[6]O)(S[6]C[6])(COO){1|C<3>,1|N<3>,1|S<1>}	C[6](C[6]C[6]S)(C[6]S[6]C)(OH){1|C<3>,1|N<3>}	C(C[6]C[6]S[6])(OC)(O)	128.0840	0.000	1	128.0840	0.000	1	128.0840	0.000	1	124.1124	12.957	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(OCu)	C(C[6]C[6]2)(NC[6]Cu)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OCu){1|C<3>,1|H<1>}	C(C[6]C[6]2)(NC[6]Cu)(H)	123.8620	0.000	1	123.8620	0.000	1	122.8142	2.128	5	124.2183	7.170	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(OCu)	C(C[6]C[6]2)(NCuC)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OCu){1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCuC)(H)	123.4900	0.000	1	123.4900	0.000	1	122.8142	2.128	5	124.2183	7.170	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(ONi)	C(C[6]C[6]2)(NC[6]Ni)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(ONi){1|C<3>,1|H<1>}	C(C[6]C[6]2)(NC[6]Ni)(H)	121.7700	0.000	1	121.7700	0.000	1	122.8142	2.128	5	124.2183	7.170	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(ONi)	C(C[6]C[6]2)(NNiC)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(ONi){1|C<3>,1|H<1>}	C(C[6]C[6]2)(NNiC)(H)	120.7960	0.000	1	120.7960	0.000	1	122.8142	2.128	5	124.2183	7.170	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(OZn)	C(C[6]C[6]2)(NZnO)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OZn){1|C<3>,1|H<1>}	C(C[6]C[6]2)(NZnO)(H)	124.1530	0.000	1	124.1530	0.000	1	122.8142	2.128	5	124.2183	7.170	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:2:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-3:S-1:	C[6](C[6]C[6]O)(O[6]C[6])(CNS)	C[6](C[6]C[6]S)(C[6]O[6]C)(OH)	C(C[6]C[6]O[6])(NCH)(S)	C[6](C[6]C[6]O)(O[6]C[6])(CNS){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]S)(C[6]O[6]C)(OH){1|C<3>,1|H<1>}	C(C[6]C[6]O[6])(NCH)(S)	127.7285	0.081	2	127.7285	0.007	2	127.7285	0.007	2	124.2183	7.170	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]2)(C[6]C[6])(CHH)	C[6](C[6]C[6]2)(C[6]C[6]C)2	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]2)(C[6]C[6])(CHH){2|C<3>,2|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)2	120.9230	0.000	1	120.9230	0.000	1	120.9230	0.000	1	123.3509	3.136	8	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:3:	3:1:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]N[6]N)(N[6]C[6])(COO)	C[6](C[6]N[6]C)(N[6]C[6]H)(NHH)	C(C[6]C[6]N[6])(O)2	C[6](C[6]N[6]N)(N[6]C[6])(COO){1|C<3>,2|H<1>}	C[6](C[6]N[6]C)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(O)2	121.4510	0.092	2	121.4510	0.008	2	121.4510	0.008	2	123.3509	3.136	8	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:3:	3:1:1:	C[6]-3:N[6]-2:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-1:O-1:	C[6](C[6]N[6]C)(N[6]C[6])(COO)	C[6](N[6]C[6]Co)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(O)2	C[6](C[6]N[6]C)(N[6]C[6])(COO){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]N[6]C)(COO){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(O)2	124.5467	0.316	3	124.5467	0.100	3	124.5964	0.268	5	123.3509	3.136	8	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:3:	3:1:1:	C[6]-3:N[6]-2:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-1:O-1:	C[6](C[6]N[6]C)(N[6]C[6])(COO)	C[6](N[6]C[6]Pd)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(O)2	C[6](C[6]N[6]C)(N[6]C[6])(COO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]N[6]C)(COO){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(O)2	125.3250	0.000	1	125.3250	0.000	1	124.5964	0.268	5	123.3509	3.136	8	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:3:	3:1:1:	C[6]-3:N[6]-2:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-1:O-1:	C[6](C[6]N[6]C)(N[6]C[6])(COO)	C[6](N[6]C[6]Pt)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(O)2	C[6](C[6]N[6]C)(N[6]C[6])(COO){1|Pt<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]N[6]C)(COO){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(O)2	124.0170	0.000	1	124.0170	0.000	1	124.5964	0.268	5	123.3509	3.136	8	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]N)(N[6]C[6])(COO)	C[6](C[6]N[6]C)(C[6]O[6]N)(NC[6a]H)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[6]N)(N[6]C[6])(COO){1|C<3>,1|N<2>,1|O<2>}	C[6](C[6]N[6]C)(C[6]O[6]N)(NC[6a]H){1|C<3>}	C(C[6]C[6]N[6])(OC)(O)	120.9370	0.000	1	120.9370	0.000	1	120.9370	0.000	1	122.3789	10.673	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]N)(N[6]C[6])(COO)	C[6](C[6]N[6]C)(N[6]C[6]H)(NHH)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]N[6]N)(N[6]C[6])(COO){1|C<3>,2|H<1>}	C[6](C[6]N[6]C)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OH)(O)	119.7132	0.534	6	119.7132	0.285	6	119.7132	0.285	6	122.3789	10.673	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-2:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]C)(N[6]C[6])(COO)	C[6](N[6]C[6]Cu)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]N[6]C)(N[6]C[6])(COO){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]N[6]C)(COO){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OH)(O)	124.5740	0.000	1	124.5740	0.000	1	125.8662	2.614	5	122.3789	10.673	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-2:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]C)(N[6]C[6])(COO)	C[6](N[6]C[6]Fe)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OFe)(O)	C[6](C[6]N[6]C)(N[6]C[6])(COO){1|Fe<6>,2|C<3>}	C[6](N[6]C[6]Fe)(C[6]N[6]C)(COO){2|C<3>}	C(C[6]C[6]N[6])(OFe)(O)	124.6490	0.000	1	124.6490	0.000	1	125.8662	2.614	5	122.3789	10.673	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-2:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]C)(N[6]C[6])(COO)	C[6](N[6]C[6]Mn)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OMn)(O)	C[6](C[6]N[6]C)(N[6]C[6])(COO){1|Mn<6>,2|C<3>}	C[6](N[6]C[6]Mn)(C[6]N[6]C)(COO){2|C<3>}	C(C[6]C[6]N[6])(OMn)(O)	124.8760	0.000	1	124.8760	0.000	1	125.8662	2.614	5	122.3789	10.673	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-2:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]C)(N[6]C[6])(COO)	C[6](N[6]C[6]Ni)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]N[6]C)(N[6]C[6])(COO){1|Ni<6>,2|C<3>}	C[6](N[6]C[6]Ni)(C[6]N[6]C)(COO){2|C<3>}	C(C[6]C[6]N[6])(OH)(O)	127.6160	0.450	2	127.6160	0.202	2	125.8662	2.614	5	122.3789	10.673	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:O-3:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(OCoNi)	C(C[6]C[6]2)(NNiC)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OCoNi){1|C<3>,1|H<1>}	C(C[6]C[6]2)(NNiC)(H)	124.4560	0.000	1	124.4560	0.000	1	124.4560	0.000	1	124.1660	0.168	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:3:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(CCH)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]C)	C(C[6]C[6]O[6])(COO)(H)	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(CCH){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]C){2|H<1>,4|C<3>}	C(C[6]C[6]O[6])(COO)(H)	123.8760	0.000	1	123.8760	0.000	1	123.8760	0.000	1	124.1660	0.168	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:3:	3:3:2:	C[6]-3:N[6]-2:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:N-3:O-2:	C[6](C[6]N[6]C)(N[6]C[6])(CNO)	C[6](N[6]C[6]Cu)(C[6]N[6]C)(CNO)	C(C[6]C[6]N[6])(NCH)(OCu)	C[6](C[6]N[6]C)(N[6]C[6])(CNO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]N[6]C)(CNO){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCH)(OCu)	122.5930	0.000	2	122.5930	0.000	2	122.5930	0.000	2	122.5930	0.000	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:3:	3:4:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:Si-4:H-1:	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(CSiH)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]C)	C(C[6]C[6]O[6])(SiC[6a]2C)(H)	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(CSiH){5|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]C){2|H<1>,6|C<3>}	C(C[6]C[6]O[6])(SiC[6a]2C)(H)	129.5790	0.000	1	129.5790	0.000	1	129.5790	0.000	1	129.5790	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:4:	3:4:1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:N-4:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]N)(C[6]C[6])(CCH)	C[6](C[6]C[6]C)2(NH3)	C(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]N)(C[6]C[6])(CCH){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)2(NH3){1|C<3>}	C(C[6]C[6]2)(CH3)(H)	121.4810	0.000	1	121.4810	0.000	1	121.4810	0.000	1	122.7957	1.629	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:3:4:	3:4:1:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]N[6]C)(N[6]N[6])(CCO)	C[6](C[6]N[6]C)(N[6]B[6]H)(CH3)	C(C[6]C[6]N[6])(CH3)(O)	C[6](C[6]N[6]C)(N[6]N[6])(CCO){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]B[6]H)(CH3){1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(CH3)(O)	123.4530	0.816	2	123.4530	0.666	2	123.4530	0.666	2	122.7957	1.629	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	3:4:3:	3:4:1:	C[6]-3:O[6]-2:C-3:	C[6]-3:P[6]-4:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]P[6])(O[6]C[6,6a])(CCH)	C[6](C[6]C[6,6a]H)(P[6]O[6]2O)(C[6]O[6]C)	C(C[6]C[6]O[6])(CH3)(H)	C[6](C[6]C[6]P[6])(O[6]C[6,6a])(CCH){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]H)(P[6]O[6]2O)(C[6]O[6]C){2|C<3>,2|C<4>}	C(C[6]C[6]O[6])(CH3)(H)	128.0970	0.000	1	128.0970	0.000	1	128.0970	0.000	1	128.0970	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:1:	3:1:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(CHO)	C[6](C[6]C[6]2H)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(H)(O)	C[6](C[6]C[6]H)(O[6]C[6])(CHO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]O[6]C)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6]O[6])(H)(O)	120.4630	0.000	1	120.4630	0.000	1	120.4630	0.000	1	120.4630	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:1:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]H)(O[6]C[6])(COO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[5,6]H)(O[6]C[6])(COO){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6])(OC)(O)	123.8395	0.295	2	123.8395	0.087	2	123.8395	0.087	2	124.6210	5.788	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:1:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]H)(O[6]C[6])(COO)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6,6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]O[6])(OC)(O)	120.6040	0.000	1	120.6040	0.000	1	120.6040	0.000	1	124.6210	5.788	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:1:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6,6]C[3]H)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C[3]H)(C[6]O[6]C)(H){1|C<3>,1|H<1>,4|C<4>}	C(C[6]C[6]O[6])(OC)(O)	126.0955	0.054	2	126.0955	0.003	2	125.1471	5.143	17	124.6210	5.788	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:1:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H){1|C<4>,4|C<3>}	C(C[6]C[6]O[6])(OC)(O)	126.1790	0.000	1	126.1790	0.000	1	125.1471	5.143	17	124.6210	5.788	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:1:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6]CH)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]O[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]O[6])(OC)(O)	122.3060	0.000	1	122.3060	0.000	1	125.1471	5.143	17	124.6210	5.788	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:1:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]O[6])(OC)(O)	125.7440	0.000	1	125.0996	6.463	12	125.1471	5.143	17	124.6210	5.788	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:1:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,4|C<3>}	C(C[6]C[6]O[6])(OC)(O)	126.5740	0.498	2	125.0996	6.463	12	125.1471	5.143	17	124.6210	5.788	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:1:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|H<1>,4|C<3>}	C(C[6]C[6]O[6])(OC)(O)	127.1547	0.567	3	125.0996	6.463	12	125.1471	5.143	17	124.6210	5.788	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:1:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){2|C<4>,3|C<3>}	C(C[6]C[6]O[6])(OC)(O)	126.8990	0.000	1	125.0996	6.463	12	125.1471	5.143	17	124.6210	5.788	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:1:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6])(OC)(O)	124.0720	0.000	1	125.0996	6.463	12	125.1471	5.143	17	124.6210	5.788	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:1:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){2|H<1>,3|C<3>}	C(C[6]C[6]O[6])(OC)(O)	126.3630	0.000	1	125.0996	6.463	12	125.1471	5.143	17	124.6210	5.788	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:1:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){4|C<3>}	C(C[6]C[6]O[6])(OC)(O)	121.1380	0.000	1	125.0996	6.463	12	125.1471	5.143	17	124.6210	5.788	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:1:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]O[6])(OC)(O)	120.6780	0.000	1	125.0996	6.463	12	125.1471	5.143	17	124.6210	5.788	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:1:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,3|C<3>}	C(C[6]C[6]O[6])(OC)(O)	121.6890	0.000	1	125.0996	6.463	12	125.1471	5.143	17	124.6210	5.788	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:1:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(OC[6])(O)	C[6](C[6]C[6]H)(O[6]C[6])(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]O[6])(OC[6])(O)	125.6300	0.000	1	125.6300	0.000	1	125.1471	5.143	17	124.6210	5.788	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:1:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:S-2:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(COS)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(SC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(COS){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6])(SC)(O)	121.2560	0.000	1	121.2560	0.000	1	121.2560	0.000	1	124.6210	5.788	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:1:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(O[6]C[6])(CCH)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(CCH)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|C<4>,1|H<1>,1|N<4>}	C(C[6]C[6]O[6])(CCH)(H)	123.2335	2.280	4	123.2335	5.197	4	123.2335	5.197	4	123.1262	3.157	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:1:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-3:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(CCO)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(CCC)(O)	C[6](C[6]C[6]H)(O[6]C[6])(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(H){1|C<4>,2|H<1>}	C(C[6]C[6]O[6])(CCC)(O)	122.7440	0.000	1	122.7440	0.000	1	122.7440	0.000	1	123.1262	3.157	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:1:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(O[6]C[6])(CNO)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(NCH)(O)	C[6](C[6]C[6]H)(O[6]C[6])(CNO){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6])(NCH)(O)	123.0790	0.000	1	123.0790	0.000	1	123.0790	0.000	1	123.1262	3.157	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:2:	3:3:3:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:N-2:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6]C[6]N)(O[6]C[6])(CC[6a]2)	C[6](C[6]C[6]HH)(C[6]O[6]C)(NO)	C(C[6]C[6]O[6])(C[6a]C[6a]2)2	C[6](C[6]C[6]N)(O[6]C[6])(CC[6a]2){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(NO){1|C<4>,2|H<1>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)2	126.2080	0.854	4	126.2080	0.730	4	126.2080	0.730	4	126.2080	0.730	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:2:	3:4:3:	C[6]-3:S[6]-2:C-3:	P-4:C[6]-3:S[6]-2:	C[6]-3:P-4:C[5]-3:	C[6](C[6]S[6]P)(S[6]C[6])(CC[5]P)	C[6](PC[6a]2Mo)(C[6]S[6]C)(S[6]C[6])	C(C[6]C[6]S[6])(PC[6a]2Mo)(C[5]S[5]2)	C[6](C[6]S[6]P)(S[6]C[6])(CC[5]P){1|C<3>,1|C<4>}	C[6](PC[6a]2Mo)(C[6]S[6]C)(S[6]C[6]){1|C<3>,1|C<4>}	C(C[6]C[6]S[6])(PC[6a]2Mo)(C[5]S[5]2)	124.8030	2.065	2	124.8030	4.263	2	124.8030	4.263	2	124.8030	4.263	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:3:	3:2:1:	C[6]-3:N[6]-2:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]C)(N[6]C[6])(COO)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[6]C)(N[6]C[6])(COO){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	C(C[6]C[6]N[6])(OC)(O)	123.6500	1.095	3	123.6500	1.198	3	123.6500	1.198	3	124.0200	3.869	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:3:	3:2:1:	C[6]-3:O[6]-2:C-3:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]C)(O[6]C[6,6a])(COO)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6]O[6]C)(COO)	C(C[6]C[6]O[6])(OC)(O)	C[6](C[6]C[6,6]C)(O[6]C[6,6a])(COO){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6]O[6]C)(COO){4|C<3>}	C(C[6]C[6]O[6])(OC)(O)	127.0300	0.000	1	127.0300	0.000	1	127.0300	0.000	1	124.0200	3.869	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:3:	3:2:1:	C[6]-3:S[6]-2:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]C)(S[6]C[6])(COO)	C[6](C[6]C[6]HN)(C[6]S[6]C)(COO)	C(C[6]C[6]S[6])(OC)(O)	C[6](C[6]C[6]C)(S[6]C[6])(COO){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]S[6]C)(COO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]S[6])(OC)(O)	122.1200	0.000	1	122.1200	0.000	1	122.1200	0.000	1	124.0200	3.869	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:3:	3:3:1:	C[6]-3:N[6]-2:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6a]-3:O-1:	C[6](C[6]C[6]C)(N[6]N[6])(CC[6a]O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CC[6a]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6](C[6]C[6]C)(N[6]N[6])(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CC[6a]O){1|C<4>,1|N<2>,2|C<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	121.8700	0.000	1	121.8700	0.000	1	121.8700	0.000	1	123.8645	7.956	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:3:	3:3:1:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]C)(O[6]C[6])(CNO)	C[6](C[6]C[6]HO)(C[6]O[6]C)(COO)	C(C[6]C[6]O[6])(NHO)(O)	C[6](C[6]C[6]C)(O[6]C[6])(CNO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]C)(COO){1|O<2>,2|C<4>}	C(C[6]C[6]O[6])(NHO)(O)	125.8590	0.000	1	125.8590	0.000	1	125.8590	0.000	1	123.8645	7.956	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:2:3:	4:3:3:	3:3:3:	C[6]-3:O[6]-2:C-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C-3:C-3:	C[6](C[6]C[6a]C[6])(O[6]C[6])(CCC)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]C)	C(C[6]C[6]O[6])(CC[6a]H)(CC[6a]O)	C[6](C[6]C[6a]C[6])(O[6]C[6])(CCC){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]C){1|C<2>,2|H<1>,5|C<3>}	C(C[6]C[6]O[6])(CC[6a]H)(CC[6a]O)	123.7460	0.161	2	123.7460	0.026	2	123.7460	0.026	2	123.7460	0.026	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:3:3:	C-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5]-3:C[6]-3:	C[6](CC[5a]C[5])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]2)	C[6](CC[5a]C[5])(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<2>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]2)	124.3530	0.000	1	124.3530	0.000	1	122.8310	4.633	2	122.8310	4.633	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:2:	3:3:1:	3:3:3:	C-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5]-3:C[6]-3:	C[6](CC[5a]C[5])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(C[6]C[6]2)	C[6](CC[5a]C[5])(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(C[6]C[6]2)	121.3090	0.000	1	121.3090	0.000	1	122.8310	4.633	2	122.8310	4.633	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-2:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CHH)	C[6](C[6]C[5,6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CHH){1|C<3>,1|P<4>}	C[6](C[6]C[5,6])(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)2	121.6560	0.000	1	121.6560	0.000	1	121.6560	0.000	1	119.0277	5.198	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:1:1:	C[6]-3:N[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6]-3:H-1:H-1:	C[6](C[6]O[6]O)(N[6]C[6]C)(CHH)	C[6](O[6]C[6,6])(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(H)2	C[6](C[6]O[6]O)(N[6]C[6]C)(CHH){1|C<4>,1|O<1>}	C[6](O[6]C[6,6])(C[6]N[6]C)(O){1|C<4>,3|C<3>}	C(C[6]C[6]N[6])(H)2	117.7135	0.186	2	117.7135	0.035	2	117.7135	0.035	2	119.0277	5.198	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	N[6]-2:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]H)(CHN)	C[6](N[6]C[6,6a])(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]H)(CHN){2|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NN)(H)	124.1775	0.726	2	124.1775	0.527	2	124.1775	0.527	2	122.5025	3.966	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	N[6]-2:C[6]-3:H-1:	C[6]-3:N-2:O-1:	C[6](N[6]C[6,6a]Pt)(C[6]N[6]H)(CNO)	C[6](N[6]C[6,6a])(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NPt)(O)	C[6](N[6]C[6,6a]Pt)(C[6]N[6]H)(CNO){2|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]C)(H){1|Pt<4>,2|C<3>}	C(C[6]C[6]N[6])(NPt)(O)	120.5540	0.000	1	120.5540	0.000	1	120.5540	0.000	1	122.5025	3.966	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	N[6]-2:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Re)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a])(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ORe)(O)	C[6](N[6]C[6,6a]Re)(C[6]N[6]H)(COO){2|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	C(C[6]C[6]N[6])(ORe)(O)	121.1010	0.000	1	121.1010	0.000	1	121.1010	0.000	1	122.5025	3.966	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]O[6]O)2(CC[5a]H)	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[6](C[6]O[6]O)2(CC[5a]H){1|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>}	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	120.3795	4.834	6	120.3795	23.363	6	120.3795	23.363	6	120.1815	15.093	26	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]C)(C[6]O[6]O)(CCH)	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	C(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6]C)(C[6]O[6]O)(CCH){2|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){1|C<3>,3|C<4>}	C(C[6]C[6]2)(COO)(H)	119.3480	0.000	1	119.3480	0.000	1	120.2057	7.582	3	120.1815	15.093	26	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]O[6]O)2(CCH)	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]O[6]O)2(CCH){1|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CCH)(H)	120.6345	3.750	2	120.6345	14.061	2	120.2057	7.582	3	120.1815	15.093	26	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6]-3:C-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(CCH)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CCH)(O)	121.6470	0.000	1	121.6470	0.000	1	121.6470	0.000	1	120.1815	15.093	26	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|O<1>,2|C<3>}	C(C[6]C[6]2)(NCH)(H)	115.2550	0.000	1	115.2550	0.000	1	116.9435	3.168	4	120.1815	15.093	26	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(NC[5a]H)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|O<1>,2|C<3>}	C(C[6]C[6]2)(NC[5a]H)(H)	116.3340	0.000	1	116.3340	0.000	1	116.9435	3.168	4	120.1815	15.093	26	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|O<1>,2|C<3>}	C(C[6]C[6]2)(NC[6a]H)(H)	119.4420	0.000	1	119.4420	0.000	1	116.9435	3.168	4	120.1815	15.093	26	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(NHN)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|O<1>,2|C<3>}	C(C[6]C[6]2)(NHN)(H)	116.7430	0.000	1	116.7430	0.000	1	116.9435	3.168	4	120.1815	15.093	26	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]O[6]O)2(CC[6a]H)	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]O[6]O)2(CC[6a]H){1|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	121.8137	4.761	8	121.8137	22.670	8	121.8137	22.670	8	120.1815	15.093	26	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	N[6]-2:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6,6a]Ni)(C[6]N[6]H)(CHN)	C[6](N[6]C[6,6a])(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	C[6](N[6]C[6,6a]Ni)(C[6]N[6]H)(CHN){2|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	120.9570	0.133	2	120.9570	0.018	2	120.9570	0.018	2	120.1815	15.093	26	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]O[6]O)(CCH)	C[6](O[6]C[6,6a])(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6,6a]H)(C[6]O[6]O)(CCH){2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]C)(O){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CCO)(H)	117.4020	0.000	1	117.4020	0.000	1	117.9895	0.690	2	120.1815	15.093	26	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]O[6]O)(CCH)	C[6](O[6]C[6,6a])(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(COO)(H)	C[6](N[6]C[6,6a]H)(C[6]O[6]O)(CCH){2|C<3>}	C[6](O[6]C[6,6a])(C[6]N[6]C)(O){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(COO)(H)	118.5770	0.000	1	118.5770	0.000	1	117.9895	0.690	2	120.1815	15.093	26	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6]-3:C-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(CCH)(OH)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CCH)(OH)	122.1280	0.000	1	122.1280	0.000	1	122.1280	0.000	1	122.1280	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6a]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]N)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]N){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)	118.9590	0.151	2	118.9590	0.023	2	119.3730	0.236	4	119.3730	0.236	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6a]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]N)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(NHH)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]N){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NHH)	119.7870	0.020	2	119.7870	0.000	2	119.3730	0.236	4	119.3730	0.236	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:3:4:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6]-3:N-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(NC[6a]H)(CH3)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|O<1>,2|C<3>}	C(C[6]C[6]2)(NC[6a]H)(CH3)	119.9420	0.000	2	119.9420	0.000	2	119.9420	0.000	2	119.9420	0.000	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	N[6]-2:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]N[6,6a]N)(C[6]N[6]H)(CCO)	C[6](N[6]C[6,6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]N[6,6a]N)(C[6]N[6]H)(CCO){2|C<3>}	C[6](N[6]C[6,6a])(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(CH3)(O)	119.4470	0.000	1	119.4470	0.000	1	119.4470	0.000	1	119.4470	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:4:2:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6]-3:C-4:O-2:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)(OH)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CH3)(OH)	121.8150	0.000	1	121.8150	0.000	1	121.8150	0.000	1	121.8150	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)(NCH)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CH3)(NCH)	118.9685	0.286	2	118.9685	0.082	2	119.3647	0.512	3	119.3647	0.512	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)(NHN)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CH3)(NHN)	120.1570	0.000	1	120.1570	0.000	1	119.3647	0.512	3	119.3647	0.512	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]O)(COO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(OCd)	C(C[6]C[6]2)(OCd)(O)	C[6](C[6]C[6,6a]H)(C[6]O[6]O)(COO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(OCd){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OCd)(O)	122.0390	0.000	1	122.0390	0.000	1	121.4055	0.803	2	121.2990	0.435	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]O)(COO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(OMn)	C(C[6]C[6]2)(OMn)(O)	C[6](C[6]C[6,6a]H)(C[6]O[6]O)(COO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(OMn){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OMn)(O)	120.7720	0.000	1	120.7720	0.000	1	121.4055	0.803	2	121.2990	0.435	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:2:	3:2:1:	N[6]-3:C[6]-3:C-3:	N[6]-2:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Zn)(C[6]N[6]O)(COO)	C[6](N[6]C[6,6a])(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(OZn)(O)	C[6](N[6]C[6,6a]Zn)(C[6]N[6]O)(COO){2|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]C)(OH){1|Zn<6>,2|C<3>}	C(C[6]C[6]N[6])(OZn)(O)	121.0860	0.000	1	121.0860	0.000	1	121.0860	0.000	1	121.2990	0.435	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:N-2:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CNO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a])	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CNO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a]){1|H<1>,2|C<3>}	C(C[6]C[6]2)(NC[6a]H)(O)	123.5210	0.000	1	123.5210	0.000	1	122.9294	0.469	5	121.2343	8.084	8	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:N-2:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CNO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a])	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CNO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a]){1|H<1>,2|C<3>}	C(C[6]C[6]2)(NHH)(O)	122.7815	0.693	4	122.7815	0.480	4	122.9294	0.469	5	121.2343	8.084	8	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:N-2:	C[6]-3:N-3:S-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CNS)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NH)	C(C[6]C[6]2)(NHH)(S)	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CNS){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NH){1|H<1>,2|C<3>}	C(C[6]C[6]2)(NHH)(S)	121.7150	0.000	1	121.7150	0.000	1	121.7150	0.000	1	121.2343	8.084	8	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:N-2:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CC[6a]O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a])	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CC[6a]O){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a]){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	116.7560	0.004	2	116.7560	0.000	2	116.7560	0.000	2	121.2343	8.084	8	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:2:	3:3:4:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-2:	C[6]-3:N-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]O[6]O)(CCN)	C[6](O[6]C[6,6a])(C[6]C[6]C)(OPd)	C(C[6]C[6]2)(NPdN)(CH3)	C[6](C[6]C[6,6a]H)(C[6]O[6]O)(CCN){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(OPd){1|H<1>,2|C<3>}	C(C[6]C[6]2)(NPdN)(CH3)	124.1980	0.000	1	124.1980	0.000	1	124.1980	0.000	1	124.1980	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	2:3:4:	3:3:4:	N[6]-3:C[6]-3:C-3:	N[6]-2:C[6]-3:C-4:	C[6]-3:N-3:C-4:	C[6](N[6]C[6,6a]Re)(C[6]N[6]C)(CCN)	C[6](N[6]C[6,6a])(C[6]N[6]C)(CH3)	C(C[6]C[6]N[6])(NReN)(CH3)	C[6](N[6]C[6,6a]Re)(C[6]N[6]C)(CCN){2|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]C)(CH3){1|Re<6>,1|C<3>,1|N<3>}	C(C[6]C[6]N[6])(NReN)(CH3)	124.3820	0.000	1	124.3820	0.000	1	124.3820	0.000	1	124.3820	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(O)2	120.1630	0.000	1	120.1630	0.000	1	121.4755	3.445	2	121.7277	1.913	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cd<6>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(O)2	122.7880	0.000	1	122.7880	0.000	1	121.4755	3.445	2	121.7277	1.913	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHH)	C[6](C[6]C[6]C)(N[6]C[6])(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHH){2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)2	122.2320	0.000	1	122.2320	0.000	1	122.2320	0.000	1	121.7277	1.913	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C-2:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6]C[6]2)(CC)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Br<1>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC)(H)	117.7420	0.000	1	117.7420	0.000	1	117.7420	0.000	1	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6]C[6]2)(NC[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NC[6])(H)	121.9100	0.000	1	121.9100	0.000	1	121.9100	0.000	1	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]C[6]N)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(O)	120.9460	0.000	1	120.9460	0.000	1	120.7397	2.578	3	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pd<4>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	122.2320	0.000	1	122.2320	0.000	1	120.7397	2.578	3	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6])(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6])(H){1|Pt<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	119.0410	0.000	1	119.0410	0.000	1	120.7397	2.578	3	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]N[6])(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]N[6])(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	119.1210	0.000	1	119.1210	0.000	1	120.0290	0.919	5	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(N[6]C[6])(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|N<3>,2|O<1>}	C(C[6]C[6]2)(OH)(O)	120.4660	0.000	1	120.4660	0.000	1	120.0290	0.919	5	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]H)2(COO)	C[6](C[6]C[6]C)(N[6]C[6])(H)	C(C[6]C[6]2)(OPt)(O)	C[6](C[6]N[6]H)2(COO){1|Pt<4>,1|C<3>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OPt)(O)	120.1860	1.137	3	120.1860	1.292	3	120.0290	0.919	5	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:S-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]C)(C[6]N[6]S)(COO)	C[6](C[6]C[6]C)(N[6]C[6])(S)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[6]C)(C[6]N[6]S)(COO){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6])(S){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	118.4490	0.000	1	118.4490	0.000	1	118.4490	0.000	1	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:N-2:H-1:	C[6](C[6]O[6]O)2(CHN)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(NC[6])(H)	C[6](C[6]O[6]O)2(CHN){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(NC[6])(H)	119.4480	2.653	2	119.4480	7.039	2	119.4480	7.039	2	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]C)(C[6]O[6]O)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]C)(C[6]O[6]O)(COO){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	117.9470	0.503	2	117.9470	0.253	2	117.6378	2.167	5	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]O[6]O)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	118.5850	0.339	2	118.5850	0.115	2	117.6378	2.167	5	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]O[6]C)(C[6]O[6]O)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]O[6]C)(C[6]O[6]O)(COO){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(OC)(O)	115.1250	0.000	1	115.1250	0.000	1	117.6378	2.167	5	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:O[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]O[6]H)(N[6]C[6]C)(COO)	C[6](C[6]N[6]C)(O[6]C[6])(H)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]O[6]H)(N[6]C[6]C)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(O[6]C[6])(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OC)(O)	121.5180	0.000	1	121.5180	0.000	1	121.5180	0.000	1	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Bi)(C[6]N[6]H)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(OBi)(O)	C[6](N[6]C[6]Bi)(C[6]N[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Bi<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OBi)(O)	120.6545	1.783	2	120.6545	3.178	2	122.8374	1.858	29	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cd)(C[6]N[6]H)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(OCd)(O)	C[6](N[6]C[6]Cd)(C[6]N[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Cd<6>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(OCd)(O)	122.6830	0.468	2	122.6830	0.219	2	122.8374	1.858	29	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Co)(C[6]N[6]H)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(OCo)(O)	C[6](N[6]C[6]Co)(C[6]N[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(OCo)(O)	123.2467	0.762	3	123.2467	0.581	3	122.8374	1.858	29	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cu)(C[6]N[6]H)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(OCu)(O)	C[6](N[6]C[6]Cu)(C[6]N[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCu)(O)	125.1400	0.021	2	125.1400	0.000	2	122.8374	1.858	29	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Fe)(C[6]N[6]H)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(OFe)(O)	C[6](N[6]C[6]Fe)(C[6]N[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Fe<6>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(OFe)(O)	123.7330	0.000	1	123.4083	0.285	3	122.8374	1.858	29	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Fe)(C[6]N[6]H)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(OFe)(O)	C[6](N[6]C[6]Fe)(C[6]N[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OFe)(O)	123.2460	0.642	2	123.4083	0.285	3	122.8374	1.858	29	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ir)(C[6]N[6]H)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(OIr)(O)	C[6](N[6]C[6]Ir)(C[6]N[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Ir<6>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(OIr)(O)	122.9410	0.000	1	122.9410	0.000	1	122.8374	1.858	29	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Mn)(C[6]N[6]H)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(OMn)(O)	C[6](N[6]C[6]Mn)(C[6]N[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OMn)(O)	124.0780	0.000	1	124.0780	0.000	1	122.8374	1.858	29	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ni)(C[6]N[6]H)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(ONi)(O)	C[6](N[6]C[6]Ni)(C[6]N[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ONi)(O)	122.2320	3.127	2	122.5970	5.288	3	122.8374	1.858	29	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ni)(C[6]N[6]H)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(ONi)(O)	C[6](N[6]C[6]Ni)(C[6]N[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Ni<6>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(ONi)(O)	123.3270	0.000	1	122.5970	5.288	3	122.8374	1.858	29	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Re)(C[6]N[6]H)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(ORe)(O)	C[6](N[6]C[6]Re)(C[6]N[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ORe)(O)	123.9810	0.939	2	123.9810	0.882	2	122.8374	1.858	29	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Sn)(C[6]N[6]H)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(OSn)(O)	C[6](N[6]C[6]Sn)(C[6]N[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Sn<6>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(OSn)(O)	122.7300	1.113	2	122.1894	0.706	9	122.8374	1.858	29	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Sn)(C[6]N[6]H)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(OSn)(O)	C[6](N[6]C[6]Sn)(C[6]N[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Sn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OSn)(O)	122.5815	0.480	4	122.1894	0.706	9	122.8374	1.858	29	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Sn)(C[6]N[6]H)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(OSn)(O)	C[6](N[6]C[6]Sn)(C[6]N[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Sn<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OSn)(O)	121.3063	0.300	3	122.1894	0.706	9	122.8374	1.858	29	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Zn)(C[6]N[6]H)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(OZn)(O)	C[6](N[6]C[6]Zn)(C[6]N[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Zn<6>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(OZn)(O)	122.8870	0.000	1	122.8870	0.000	1	122.8374	1.858	29	121.4865	5.268	48	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:2:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:C-2:C-2:	C[6](C[6]N[6]Cl)(N[6]C[6]H)(CCC)	C[6](C[6]N[6]C)(N[6]C[6])(Cl)	C(C[6]C[6]N[6])(CN)2	C[6](C[6]N[6]Cl)(N[6]C[6]H)(CCC){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(Cl){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CN)2	128.1770	0.000	1	128.1770	0.000	1	128.1770	0.000	1	128.1770	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[3]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[3]H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[3]N[3]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)2(CC[3]H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C(C[3]N[3]2)(C[6]C[6]2)(H)	122.3920	0.000	1	122.3920	0.000	1	122.3920	0.000	1	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CCH)(H)	118.5130	0.000	1	118.5130	0.000	1	117.3375	2.764	2	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6]C[6]2)(CPP)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CPP)(H)	116.1620	0.000	1	116.1620	0.000	1	117.3375	2.764	2	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C-3:O-1:	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6]C[6]2)(CCH)(O)	C[6](C[6]C[6]H)2(CCO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Br<1>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCH)(O)	118.3650	0.000	1	118.3650	0.000	1	118.3650	0.000	1	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CHN)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6]C[6]2)(NCuC)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(NCuC)(H)	116.0230	0.000	1	116.0230	0.000	1	118.8812	22.757	4	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6]C[6]2)(NMnC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NMnC)(H)	119.7740	0.000	1	119.7740	0.000	1	118.8812	22.757	4	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6]C[6]2)(NNiN)(H)	C[6](C[6]C[6]H)2(CHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NNiN)(H)	114.5080	0.000	1	114.5080	0.000	1	118.8812	22.757	4	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6]C[6]2)(NPdC)(H)	C[6](C[6]C[6]H)2(CHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NPdC)(H)	125.2200	0.000	1	125.2200	0.000	1	118.8812	22.757	4	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]C)(N[6]N[6])(H)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]N[6])(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CCH)(H)	118.0390	0.000	1	118.0390	0.000	1	118.0390	0.000	1	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]O[6]O)2(CC[5a]H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)	C[6](C[6]O[6]O)2(CC[5a]H){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)	120.8725	6.643	2	120.8725	44.133	2	120.6622	25.958	6	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]O[6]O)2(CC[5a]H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[6](C[6]O[6]O)2(CC[5a]H){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	120.5570	5.339	4	120.5570	28.508	4	120.6622	25.958	6	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]O[6]O)2(CCH)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]O[6]O)2(CCH){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CCH)(H)	120.2900	3.479	6	120.2900	12.103	6	120.4519	20.679	20	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]O[6]O)2(CCH)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(CCO)(H)	C[6](C[6]O[6]O)2(CCH){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CCO)(H)	120.5212	5.055	14	120.5212	25.552	14	120.4519	20.679	20	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]O[6]O)2(CHN)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(NCO)(H)	C[6](C[6]O[6]O)2(CHN){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(NCO)(H)	119.6660	9.301	2	119.6660	86.514	2	119.6532	5.637	62	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]O[6]O)2(CHN)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(NC[5a]H)(H)	C[6](C[6]O[6]O)2(CHN){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(NC[5a]H)(H)	119.7693	2.434	16	119.7693	5.924	16	119.6532	5.637	62	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]O[6]O)2(CHN)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(NC[6]H)(H)	C[6](C[6]O[6]O)2(CHN){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(NC[6]H)(H)	119.5350	2.946	2	119.5350	8.678	2	119.6532	5.637	62	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]O[6]O)2(CHN)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]O[6]O)2(CHN){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(NC[6a]H)(H)	119.6311	1.942	36	119.6311	3.773	36	119.6532	5.637	62	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]O[6]O)2(CHN)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(NHH)(H)	C[6](C[6]O[6]O)2(CHN){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(NHH)(H)	119.6715	3.169	2	119.6715	10.040	2	119.6532	5.637	62	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]O[6]O)2(CHN)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(NN[5a]H)(H)	C[6](C[6]O[6]O)2(CHN){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(NN[5a]H)(H)	119.4307	2.397	4	119.4307	5.748	4	119.6532	5.637	62	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]O[6]O)2(CC[6a]H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]O[6]O)2(CC[6a]H){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	120.3499	3.251	8	120.3499	10.571	8	121.0089	20.393	30	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]O[6]O)2(CC[6a]H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]O[6]O)2(CC[6a]H){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	121.2485	4.941	22	121.2485	24.412	22	121.0089	20.393	30	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCH)	C[6](C[6]N[6]C)(C[6]C[6])(H)	C(C[6]C[6]N[6])(CC[6a]Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(C[6]C[6])(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]Fe)(H)	124.1730	0.000	1	124.1730	0.000	1	124.1730	0.000	1	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]N[6]C)(C[6]C[6])(H)	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(C[6]C[6])(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	122.9740	0.000	1	122.9740	0.000	1	122.9740	0.000	1	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Co)(C[6]N[6]H)(CNO)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(NC[6a]Co)(O)	C[6](N[6]C[6]Co)(C[6]N[6]H)(CNO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Co)(O)	122.7085	0.711	8	122.7085	0.506	8	123.7466	9.056	28	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Co)(C[6]N[6]H)(CNO)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(NCoC)(O)	C[6](N[6]C[6]Co)(C[6]N[6]H)(CNO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoC)(O)	122.3515	2.340	6	125.5974	16.997	11	123.7466	9.056	28	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Co)(C[6]N[6]H)(CNO)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(NCoC)(O)	C[6](N[6]C[6]Co)(C[6]N[6]H)(CNO){2|C<3>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoC)(O)	129.4924	0.938	5	125.5974	16.997	11	123.7466	9.056	28	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Fe)(C[6]N[6]H)(CNO)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(O)	C[6](N[6]C[6]Fe)(C[6]N[6]H)(CNO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(O)	122.8374	0.799	5	122.8374	0.638	5	123.7466	9.056	28	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Ni)(C[6]N[6]H)(CNO)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(O)	C[6](N[6]C[6]Ni)(C[6]N[6]H)(CNO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(O)	120.9170	0.006	2	120.9170	0.000	2	123.7466	9.056	28	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Pd)(C[6]N[6]H)(CNO)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(NC[6a]Pd)(O)	C[6](N[6]C[6]Pd)(C[6]N[6]H)(CNO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Pd)(O)	122.8225	0.530	2	122.8225	0.281	2	123.7466	9.056	28	120.7823	13.928	157	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:2:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:C[6a]-3:O-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CC[6a]O)	C[6](C[6]C[6,6a]C)(O[6]C[6])(O)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CC[6a]O){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(O[6]C[6])(O){1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(OH)	116.2173	0.333	4	116.2173	0.111	4	116.2173	0.111	4	119.8213	7.605	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:C-1:	Ge[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)2(CGe[6]O)	C[6](C[6]C[6]C)(C[6]C[6])(C)	C(Ge[6]Si[6]2)(C[6]C[6]2)(OSi)	C[6](C[6]C[6]C)2(CGe[6]O){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6])(C){1|C<1>,1|C<2>,1|C<4>}	C(Ge[6]Si[6]2)(C[6]C[6]2)(OSi)	120.4790	3.608	2	120.4790	13.015	2	120.4790	13.015	2	119.8213	7.605	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:N-3:O-2:	C[6](C[6]O[6]O)2(CNO)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(NC[6a]H)(OC)	C[6](C[6]O[6]O)2(CNO){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(NC[6a]H)(OC)	119.8860	1.088	2	119.8860	1.183	2	119.8860	1.183	2	119.8213	7.605	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:N-3:S-2:	C[6](C[6]O[6]O)2(CNS)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(NCH)(SC)	C[6](C[6]O[6]O)2(CNS){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(NCH)(SC)	120.2415	1.517	2	120.2415	2.301	2	120.3427	1.683	6	119.8213	7.605	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:N-3:S-2:	C[6](C[6]O[6]O)2(CNS)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(NC[6a]H)(SC)	C[6](C[6]O[6]O)2(CNS){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(NC[6a]H)(SC)	120.3932	1.424	4	120.3932	2.028	4	120.3427	1.683	6	119.8213	7.605	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6a]-3:C[6]-3:S-2:	C[6](C[6]O[6]O)2(CC[6a]S)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(SC)	C[6](C[6]O[6]O)2(CC[6a]S){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(SC)	121.6905	0.118	2	121.6905	0.014	2	121.6905	0.014	2	119.8213	7.605	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N-3:O-2:	C[6](N[6]C[6]Co)(C[6]N[6]H)(CNO)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(NHH)(OCo)	C[6](N[6]C[6]Co)(C[6]N[6]H)(CNO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NHH)(OCo)	125.9260	0.000	1	125.9260	0.000	1	125.9260	0.000	1	119.8213	7.605	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:3:	C-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[5]-3:C[6a]-3:C[6]-3:	C[6](CC[6a]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(C[6]C[6]2)	C[6](CC[6a]C[5])(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(C[6]C[6]2)	121.0430	0.000	1	121.0430	0.000	1	121.0430	0.000	1	122.3214	6.651	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:3:	C-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[5a]-3:C[5]-3:C[6]-3:	C[6](CC[5a]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]2)	C[6](CC[5a]C[5])(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]2)	120.4490	0.000	1	120.4490	0.000	1	120.4490	0.000	1	122.3214	6.651	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:3:	C-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[5a]-3:C[6a]-3:C[6]-3:	C[6](CC[5a]C[6a])(C[6]O[6]O)2	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[6]C[6]2)	C[6](CC[5a]C[6a])(C[6]O[6]O)2{1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[6]C[6]2)	122.0395	0.172	2	122.0395	0.030	2	122.0395	0.030	2	122.3214	6.651	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C-3:C-3:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6]C[6]2)(CCO)2	C[6](C[6]C[6]H)2(CCC){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CCO)2	122.4050	0.000	1	122.4050	0.000	1	120.7423	2.078	3	122.3214	6.651	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C-3:C-3:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6]C[6]2)(CC[5]C)(CCC)	C[6](C[6]C[6]H)2(CCC){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	C(C[6]C[6]2)(CC[5]C)(CCC)	119.8460	0.000	1	119.8460	0.000	1	120.7423	2.078	3	122.3214	6.651	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C-3:C-3:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6]C[6]2)(CC[6a]Sn)(CC[6a]C)	C[6](C[6]C[6]H)2(CCC){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]Sn)(CC[6a]C)	119.9760	0.000	1	119.9760	0.000	1	120.7423	2.078	3	122.3214	6.651	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C-3:N-3:	C[6](C[6]C[6]H)2(CCN)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6]C[6]2)(CC[6]N)(NCuN)	C[6](C[6]C[6]H)2(CCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6]N)(NCuN)	119.6960	0.000	1	119.6960	0.000	1	120.5715	1.533	2	122.3214	6.651	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C-3:N-3:	C[6](C[6]C[6]H)2(CCN)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6]C[6]2)(CC[6a]N)(NCuN)	C[6](C[6]C[6]H)2(CCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]N)(NCuN)	121.4470	0.000	1	121.4470	0.000	1	120.5715	1.533	2	122.3214	6.651	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6a]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)2(CC[6a]C)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CRuC)	C[6](C[6]C[6]H)2(CC[6a]C){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CRuC)	119.3370	0.000	1	120.3730	1.043	3	120.3730	1.043	3	122.3214	6.651	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6a]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)2(CC[6a]C)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CRuC)	C[6](C[6]C[6]H)2(CC[6a]C){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CRuC)	120.8910	0.690	2	120.3730	1.043	3	120.3730	1.043	3	122.3214	6.651	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:O-1:	C[6]-3:N-3:N-3:	C[6](C[6]N[6]O)2(CNN)	C[6](C[6]C[6]C)(N[6]C[6])(O)	C(C[6]C[6]2)(NC[6a]H)2	C[6](C[6]N[6]O)2(CNN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6])(O){1|O<1>,2|N<3>}	C(C[6]C[6]2)(NC[6a]H)2	121.1580	0.000	1	121.1580	0.000	1	121.1580	0.000	1	122.3214	6.651	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:N-3:N-3:	C[6](C[6]O[6]O)2(CNN)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(NCH)2	C[6](C[6]O[6]O)2(CNN){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(NCH)2	119.9150	0.455	2	119.9150	0.207	2	120.0623	0.622	6	122.3214	6.651	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:N-3:N-3:	C[6](C[6]O[6]O)2(CNN)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(NC[6a]H)(NCC)	C[6](C[6]O[6]O)2(CNN){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(NC[6a]H)(NCC)	120.1360	0.972	4	120.1360	0.946	4	120.0623	0.622	6	122.3214	6.651	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6a]-3:C[6]-3:C-3:	C[6](C[6]O[6]O)2(CC[6a]C)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(COO)	C[6](C[6]O[6]O)2(CC[6a]C){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(COO)	122.1980	2.244	2	122.1980	5.037	2	122.1980	5.037	2	122.3214	6.651	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N-3:N-3:	C[6](N[6]C[6]Cu)(C[6]N[6]H)(CNN)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(NCuN)(NHH)	C[6](N[6]C[6]Cu)(C[6]N[6]H)(CNN){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuN)(NHH)	125.3960	0.471	2	125.3960	0.222	2	125.5976	1.551	10	122.3214	6.651	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N-3:N-3:	C[6](N[6]C[6]Mn)(C[6]N[6]H)(CNN)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(NMnN)(NHH)	C[6](N[6]C[6]Mn)(C[6]N[6]H)(CNN){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnN)(NHH)	125.8408	1.596	6	125.8408	2.548	6	125.5976	1.551	10	122.3214	6.651	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N-3:N-3:	C[6](N[6]C[6]Ni)(C[6]N[6]H)(CNN)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(NNiN)(NHH)	C[6](N[6]C[6]Ni)(C[6]N[6]H)(CNN){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiN)(NHH)	125.0695	0.062	2	125.0695	0.004	2	125.5976	1.551	10	122.3214	6.651	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:N-3:C-4:	C[6](C[6]C[6]O)(C[6]O[6]O)(CCN)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(NC[6a]H)(CCHH)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(NC[6a]H)(CCHH)	120.8210	0.000	1	120.8210	0.000	1	119.9110	0.154	8	122.6286	2.625	47	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:N-3:C-4:	C[6](C[6]C[6]O)(C[6]O[6]O)(CCN)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(NC[6a]H)(CH3)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(NC[6a]H)(CH3)	119.7810	0.149	7	119.7810	0.022	7	119.9110	0.154	8	122.6286	2.625	47	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6a]-3:C[6]-3:C-4:	C[6](C[6]O[6]O)2(CC[6a]C)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6](C[6]O[6]O)2(CC[6a]C){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	122.4851	0.676	22	122.4851	0.457	22	122.4851	0.457	22	122.6286	2.625	47	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCN)	C[6](C[6]N[6]C)(C[6]C[6])(H)	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(C[6]C[6])(H){1|Al<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)	124.3760	0.000	1	124.3760	0.000	1	124.3760	0.000	1	122.6286	2.625	47	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Cd)(C[6]N[6]H)(CCN)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(NCdN)(CH3)	C[6](N[6]C[6]Cd)(C[6]N[6]H)(CCN){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCdN)(CH3)	123.2390	0.000	1	123.2390	0.000	1	124.0753	0.933	16	122.6286	2.625	47	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]N[6]H)(CCN)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(NCoN)(CH3)	C[6](N[6]C[6]Co)(C[6]N[6]H)(CCN){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoN)(CH3)	124.2500	0.000	1	124.2500	0.000	1	124.0753	0.933	16	122.6286	2.625	47	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mn)(C[6]N[6]H)(CCN)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(NMnN)(CH3)	C[6](N[6]C[6]Mn)(C[6]N[6]H)(CCN){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Mn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnN)(CH3)	123.9720	0.000	1	123.8473	0.117	4	124.0753	0.933	16	122.6286	2.625	47	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mn)(C[6]N[6]H)(CCN)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(NMnN)(CH3)	C[6](N[6]C[6]Mn)(C[6]N[6]H)(CCN){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnN)(CH3)	123.8057	0.406	3	123.8473	0.117	4	124.0753	0.933	16	122.6286	2.625	47	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ni)(C[6]N[6]H)(CCN)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(NNiN)(CH3)	C[6](N[6]C[6]Ni)(C[6]N[6]H)(CCN){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiN)(CH3)	125.6913	0.907	3	125.6913	0.822	3	124.0753	0.933	16	122.6286	2.625	47	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ni)(C[6]N[6]H)(CCN)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(NNiO)(CH3)	C[6](N[6]C[6]Ni)(C[6]N[6]H)(CCN){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiO)(CH3)	123.3895	0.122	2	123.3895	0.015	2	124.0753	0.933	16	122.6286	2.625	47	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Zn)(C[6]N[6]H)(CCN)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(NZnC)(CH3)	C[6](N[6]C[6]Zn)(C[6]N[6]H)(CCN){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NZnC)(CH3)	124.0180	0.000	1	124.0180	0.000	1	124.0753	0.933	16	122.6286	2.625	47	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Zn)(C[6]N[6]H)(CCN)	C[6](C[6]N[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(NZnN)(CH3)	C[6](N[6]C[6]Zn)(C[6]N[6]H)(CCN){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(H){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NZnN)(CH3)	123.6140	0.689	4	123.6140	0.474	4	124.0753	0.933	16	122.6286	2.625	47	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:S-1:	C[6]-3:C-4:O-1:	C[6](C[6]N[6]C)(C[6]N[6]S)(CCO)	C[6](C[6]C[6]C)(N[6]C[6])(S)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]N[6]C)(C[6]N[6]S)(CCO){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6])(S){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CH3)(O)	118.8710	0.000	1	118.8710	0.000	1	118.8710	0.000	1	118.8710	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6]O)(C[6]O[6]O)(CCN)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(CH3)(NCH)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CH3)(NCH)	119.1600	0.877	2	119.1600	0.769	2	119.5607	0.476	4	119.5607	0.476	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6]O)(C[6]O[6]O)(CCN)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(CH3)(NHN)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CH3)(NHN)	119.9615	0.129	2	119.9615	0.017	2	119.5607	0.476	4	119.5607	0.476	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:4:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(CCC){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(CH3)2	118.0225	1.142	2	118.0225	1.304	2	118.0225	1.304	2	120.2048	7.590	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	3:4:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:C-4:C-4:	C[6](C[6]O[6]O)2(CCC)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(CCHH)(CH3)	C[6](C[6]O[6]O)2(CCC){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CCHH)(CH3)	122.3870	1.554	2	122.3870	2.416	2	122.3870	2.416	2	120.2048	7.590	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(CC[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[5,6]C[6]H)(C[6]C[6]2)(H)	C[6](C[6]C[6]O)(C[6]O[6]O)(CC[6]H){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[5,6]C[6]H)(C[6]C[6]2)(H)	126.2430	0.000	1	126.2430	0.000	1	126.2430	0.000	1	126.2430	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:1:	4:3:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[5]-4:C[6]-3:C-4:	C[6](C[6]O[6]O)2(CC[5]C)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[5]C[5]2Fe)(C[6]C[6]2)(CH3)	C[6](C[6]O[6]O)2(CC[5]C){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2Fe)(C[6]C[6]2)(CH3)	122.2555	0.810	2	122.2555	0.656	2	122.2555	0.656	2	122.2555	0.656	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:2:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:C-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHH)	C[6](C[6]C[6]C)(C[6]C[6])(CC)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CHH){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6])(CC){1|C<2>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(H)2	123.3460	0.000	1	123.3460	0.000	1	123.3460	0.000	1	122.7690	0.666	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:2:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:O-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHH)	C[6](C[6]C[6]C)(C[6]C[6])(OH)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(CHH){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6])(OH){1|O<1>,2|C<2>}	C(C[6]C[6]2)(H)2	122.1920	0.000	1	122.1920	0.000	1	122.1920	0.000	1	122.7690	0.666	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:N-3:	C[6]-3:O-2:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]N)(COO)	C[6](C[6]C[5a,6]C)(O[6]C[6])(NC[6a]H)	C(C[6]C[5a,6]C[6])(OC)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]N)(COO){1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]C)(O[6]C[6])(NC[6a]H){1|N<2>,2|C<3>}	C(C[6]C[5a,6]C[6])(OC)(O)	115.6510	0.180	2	115.6510	0.032	2	115.6510	0.032	2	124.0334	13.087	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Co)(C[6]N[6]C)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(COO)	C(C[6]C[6]N[6])(OCo)(O)	C[6](N[6]C[6]Co)(C[6]N[6]C)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(COO){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCo)(O)	123.5367	0.209	3	123.5367	0.044	3	125.6984	11.702	10	124.0334	13.087	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cu)(C[6]N[6]C)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(COO)	C(C[6]C[6]N[6])(OCu)(O)	C[6](N[6]C[6]Cu)(C[6]N[6]C)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(COO){1|Cu<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCu)(O)	122.0720	0.000	1	122.0720	0.000	1	125.6984	11.702	10	124.0334	13.087	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Fe)(C[6]N[6]C)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(COO)	C(C[6]C[6]N[6])(OFe)(O)	C[6](N[6]C[6]Fe)(C[6]N[6]C)(COO){2|C<3>}	C[6](C[6]N[6]C)(N[6]C[6])(COO){1|Fe<6>,2|C<3>}	C(C[6]C[6]N[6])(OFe)(O)	126.1130	0.000	1	126.1130	0.000	1	125.6984	11.702	10	124.0334	13.087	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Mn)(C[6]N[6]C)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(COO)	C(C[6]C[6]N[6])(OMn)(O)	C[6](N[6]C[6]Mn)(C[6]N[6]C)(COO){2|C<3>}	C[6](C[6]N[6]C)(N[6]C[6])(COO){1|Mn<6>,2|C<3>}	C(C[6]C[6]N[6])(OMn)(O)	125.6150	0.000	1	125.6150	0.000	1	125.6984	11.702	10	124.0334	13.087	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ni)(C[6]N[6]C)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(COO)	C(C[6]C[6]N[6])(ONi)(O)	C[6](N[6]C[6]Ni)(C[6]N[6]C)(COO){2|C<3>}	C[6](C[6]N[6]C)(N[6]C[6])(COO){1|Ni<6>,2|C<3>}	C(C[6]C[6]N[6])(ONi)(O)	131.8125	0.329	2	131.8125	0.108	2	125.6984	11.702	10	124.0334	13.087	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Pd)(C[6]N[6]C)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(COO)	C(C[6]C[6]N[6])(OPd)(O)	C[6](N[6]C[6]Pd)(C[6]N[6]C)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(COO){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OPd)(O)	124.3910	0.000	1	124.3910	0.000	1	125.6984	11.702	10	124.0334	13.087	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Pt)(C[6]N[6]C)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(COO)	C(C[6]C[6]N[6])(OPt)(O)	C[6](N[6]C[6]Pt)(C[6]N[6]C)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(COO){1|Pt<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OPt)(O)	124.5580	0.000	1	124.5580	0.000	1	125.6984	11.702	10	124.0334	13.087	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:N-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Co)(C[6]N[6]N)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(NHH)	C(C[6]C[6]N[6])(OCo)(O)	C[6](N[6]C[6]Co)(C[6]N[6]N)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(NHH){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCo)(O)	124.2020	0.000	1	124.2020	0.000	1	124.0448	0.135	10	124.0334	13.087	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:N-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Mn)(C[6]N[6]N)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(NHH)	C(C[6]C[6]N[6])(OMn)(O)	C[6](N[6]C[6]Mn)(C[6]N[6]N)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(NHH){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OMn)(O)	123.9845	0.688	2	123.9845	0.473	2	124.0448	0.135	10	124.0334	13.087	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:N-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ni)(C[6]N[6]N)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(NHH)	C(C[6]C[6]N[6])(ONi)(O)	C[6](N[6]C[6]Ni)(C[6]N[6]N)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(NHH){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ONi)(O)	123.9110	0.419	4	123.9110	0.175	4	124.0448	0.135	10	124.0334	13.087	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:N-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Sn)(C[6]N[6]N)(COO)	C[6](C[6]N[6]C)(N[6]C[6])(NHH)	C(C[6]C[6]N[6])(OSn)(O)	C[6](N[6]C[6]Sn)(C[6]N[6]N)(COO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(NHH){1|Sn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OSn)(O)	124.2110	0.121	3	124.2110	0.015	3	124.0448	0.135	10	124.0334	13.087	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:3:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6a]-3:N[6]-2:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(CCH)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]N[6]C)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(CCH){4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]N[6]C){3|H<1>,4|C<3>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	123.6327	0.223	3	123.6327	0.050	3	123.6327	0.050	3	124.2892	0.833	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:3:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Cu)(C[6]N[6]C)(CNO)	C[6](C[6]N[6]C)(N[6]C[6])(CNO)	C(C[6]C[6]N[6])(NCuC)(O)	C[6](N[6]C[6]Cu)(C[6]N[6]C)(CNO){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(CNO){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuC)(O)	125.2740	0.000	2	125.2740	0.000	2	125.2740	0.000	2	124.2892	0.833	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]C)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]S[6])(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[6]C)(C[6]N[6]H)(COO){1|C<4>,1|S<4>}	C[6](C[6]C[6]C)(N[6]S[6])(CH3){1|H<1>,1|N<3>,2|O<1>}	C(C[6]C[6]2)(OC)(O)	125.4660	0.000	1	125.4660	0.000	1	125.4660	0.000	1	125.1925	0.150	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]O[6]C)(C[6]O[6]O)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CC3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]O[6]C)(C[6]O[6]O)(COO){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(CC3){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(OC)(O)	124.9190	0.000	1	124.9190	0.000	1	124.9190	0.000	1	125.1925	0.150	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:4:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Al)(C[6]N[6]C)(CCH)	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Al)(C[6]N[6]C)(CCH){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|Al<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CCO)(H)	120.6110	0.047	2	120.5542	0.085	4	120.7141	0.071	10	120.7141	0.071	10	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:4:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Al)(C[6]N[6]C)(CCH)	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Al)(C[6]N[6]C)(CCH){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|Al<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CCO)(H)	120.4975	0.490	2	120.5542	0.085	4	120.7141	0.071	10	120.7141	0.071	10	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:4:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Al)(C[6]N[6]C)(CCH)	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Al)(C[6]N[6]C)(CCH){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|Al<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	120.8207	0.205	6	120.8207	0.042	6	120.7141	0.071	10	120.7141	0.071	10	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:4:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Zn)(C[6]N[6]C)(CCN)	C[6](C[6]N[6]C)(N[6]C[6])(CH3)	C(C[6]C[6]N[6])(NZnN)(CH3)	C[6](N[6]C[6]Zn)(C[6]N[6]C)(CCN){1|C<3>,1|H<1>}	C[6](C[6]N[6]C)(N[6]C[6])(CH3){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NZnN)(CH3)	126.1550	0.305	2	126.1550	0.093	2	126.1550	0.093	2	126.1550	0.093	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:4:	3:4:1:	C[5a,6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]C)(CCO)	C[6](C[6]C[5a,6]C)(O[6]C[6])(CH3)	C(C[6]C[5a,6]C[6])(CH3)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]C)(CCO){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]C)(O[6]C[6])(CH3){1|N<2>,2|C<3>}	C(C[6]C[5a,6]C[6])(CH3)(O)	120.1090	0.000	1	120.1090	0.000	1	120.1090	0.000	1	119.3015	1.304	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:2:4:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]C)(C[6]O[6]C)(CCO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]C)(C[6]O[6]C)(CCO){1|C<3>,1|N<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<2>,1|C<3>,1|N<2>}	C(C[6]C[6]2)(CH3)(O)	118.4940	0.000	1	118.4940	0.000	1	118.4940	0.000	1	119.3015	1.304	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:Br-1:Br-1:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]O)(CBr2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C)(O)	C(C[6]C[6,6a]C[6])(Br)2	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]O)(CBr2){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C)(O){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6])(Br)2	118.9720	0.000	1	118.9720	0.000	1	118.9720	0.000	1	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHH)	C[6](C[6]C[6,6a]C)(C[6]O[6]O)(H)	C(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]C)(C[6]O[6]O)(H){2|C<3>}	C(C[6]C[6,6a]C[6])(H)2	120.9970	0.000	1	120.9970	0.000	1	120.9970	0.000	1	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHO)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C(C[6]C[6,6a]C[6])(H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Ir<6>,2|C<3>}	C(C[6]C[6,6a]C[6])(H)(O)	118.0330	0.000	1	118.0330	0.000	1	118.0330	0.000	1	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	C(C[6]C[6,6a]C[6])(O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	C(C[6]C[6,6a]C[6])(O)2	117.0440	0.000	1	117.0440	0.000	1	118.3127	1.556	4	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C(C[6]C[6,6a]C[6])(O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(O)2	118.7357	1.123	3	118.7357	1.261	3	118.3127	1.556	4	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CHH)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CHH){1|C<3>,1|H<1>,1|P<4>}	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(H){1|Nb<6>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)2	121.4370	0.000	1	121.0905	0.240	2	121.0905	0.240	2	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CHH)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CHH){1|C<3>,1|P<4>}	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(H){1|Nb<7>,1|C<2>,1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[6]2)(H)2	120.7440	0.000	1	121.0905	0.240	2	121.0905	0.240	2	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-3:C[6]-3:O-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CHH)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]C)(O)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CHH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(H)2	117.7590	0.000	1	117.7590	0.000	1	117.7590	0.000	1	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:Cl-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CClO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(Cl)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CClO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(Cl)(O)	117.9350	0.000	1	117.9350	0.000	1	119.2947	8.996	3	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:Cl-1:O-1:	C[6](C[6]C[6]H)2(CClO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(Cl)(O)	C[6](C[6]C[6]H)2(CClO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(Cl)(O)	119.9745	3.901	2	119.9745	15.219	2	119.2947	8.996	3	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CHH)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CHH){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)2	121.5520	0.000	1	121.5520	0.000	1	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(H)2	118.6420	0.000	1	118.6420	0.000	1	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(CHH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)2	116.2200	0.000	1	116.2200	0.000	1	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]2)(H)2	121.9880	1.300	2	121.0023	2.314	4	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)2	119.1900	0.000	1	121.0023	2.314	4	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)2	120.8430	0.000	1	121.0023	2.314	4	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH){1|C<3>,1|C<4>,1|P<3>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(H)2	119.9905	0.766	2	119.9905	0.586	2	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(H)2	122.2290	0.000	1	122.2680	2.082	3	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(H)2	120.8450	0.000	1	122.2680	2.082	3	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(H)2	123.7300	0.000	1	122.2680	2.082	3	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHH)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(CHH){2|C<3>}	C[6](C[6]C[6]C)2(H){1|N<2>,2|H<1>}	C(C[6]C[6]2)(H)2	120.5540	0.000	1	120.5540	0.000	1	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)2	121.5700	0.000	1	121.1343	2.810	51	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]2)(H)2	121.1720	0.431	2	121.1343	2.810	51	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)2	123.0270	0.000	1	121.1343	2.810	51	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C(C[6]C[6]2)(H)2	121.6410	0.000	1	121.1343	2.810	51	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)2	121.2590	2.158	2	121.1343	2.810	51	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<6>,1|H<1>}	C(C[6]C[6]2)(H)2	121.4775	0.623	2	121.1343	2.810	51	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)2	120.6585	0.950	2	121.1343	2.810	51	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[6]2)(H)2	120.7725	0.030	2	121.1343	2.810	51	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	C(C[6]C[6]2)(H)2	121.0985	0.019	2	121.1343	2.810	51	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C(C[6]C[6]2)(H)2	120.9142	1.416	16	121.1343	2.810	51	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)2	121.1224	2.542	14	121.1343	2.810	51	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(H)2	121.3993	1.678	6	121.1343	2.810	51	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)2	120.3160	0.000	1	120.3160	0.000	1	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]2)(H)2	121.9390	0.030	2	121.4510	0.715	3	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)2	120.4750	0.000	1	121.4510	0.715	3	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|N<4>}	C(C[6]C[6]2)(H)2	119.9450	0.000	1	119.9450	0.000	1	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]2)(H)2	121.2295	0.153	2	121.9831	0.930	10	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)2	121.2050	0.710	2	121.9831	0.930	10	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(H)2	121.5955	0.950	2	121.9831	0.930	10	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)2	122.9428	0.452	4	121.9831	0.930	10	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]Mo)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]Mo)(C[6]C[6]H)(CHH){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|Mo<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)2	117.0450	0.059	2	117.0450	0.004	2	121.0389	3.021	81	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHO)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHO){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(H)(O)	118.7060	0.000	1	118.7060	0.000	1	120.2605	19.291	15	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHO)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHO){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(H)(O)	120.0835	0.145	2	120.0835	0.021	2	120.2605	19.291	15	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)(O)	120.9770	0.000	1	122.3212	0.635	5	120.2605	19.291	15	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)(O)	122.8340	0.371	2	122.3212	0.635	5	120.2605	19.291	15	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)(O)	122.4805	0.145	2	122.3212	0.635	5	120.2605	19.291	15	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]H)2(CHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)2(CHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(H)(O)	116.6560	14.385	2	116.6560	206.939	2	120.2605	19.291	15	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]H)2(CHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)2(CHO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)(O)	120.0550	0.000	1	120.8587	2.292	3	120.2605	19.291	15	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]H)2(CHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)2(CHO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)(O)	121.2605	1.901	2	120.8587	2.292	3	120.2605	19.291	15	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]H)2(CHO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)2(CHO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(H)(O)	119.3960	0.000	1	119.3960	0.000	1	120.2605	19.291	15	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]N[6]Pd)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[6]Pd)(C[6]C[6]H)(CHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)(O)	118.1450	0.000	1	118.1450	0.000	1	120.2605	19.291	15	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:N-1:	C[6](C[6]C[6]H)2(CNN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(N)2	C[6](C[6]C[6]H)2(CNN){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(N)2	120.6820	0.000	2	120.6820	0.000	2	119.8315	0.964	4	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-1:N-1:	C[6](C[6]C[6]H)2(CNN)	C[6](C[6]C[6]C)(C[6]C[6]I)(H)	C(C[6]C[6]2)(N)2	C[6](C[6]C[6]H)2(CNN){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]C)(C[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(N)2	118.9810	0.000	2	118.9810	0.000	2	119.8315	0.964	4	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[5]N[6])(C[6]C[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(O)2	115.7260	0.301	2	115.4507	0.137	4	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[5]N[6])(C[6]C[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(O)2	115.1755	0.135	2	115.4507	0.137	4	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(O)2	118.9070	0.820	3	118.9070	0.672	3	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(O)2	119.1480	0.000	1	119.1480	0.000	1	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,2|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(O)2	118.1620	0.000	1	118.1620	0.000	1	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(O)2	118.3340	0.509	2	117.1820	4.111	3	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(O)2	114.8780	0.000	1	117.1820	4.111	3	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|C<4>}	C(C[6]C[6]2)(O)2	118.7140	0.000	1	118.7140	0.000	1	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]F)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Co<6>,1|C<3>,1|F<1>}	C[6](C[6]C[6]C)(C[6]C[6]F)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(O)2	122.5800	0.000	1	122.5800	0.000	1	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(O)2	121.1482	0.828	4	121.8311	0.746	54	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(O)2	121.4245	0.882	12	121.8311	0.746	54	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(O)2	122.1925	0.069	2	121.8311	0.746	54	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(O)2	123.4920	0.293	2	121.8311	0.746	54	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(O)2	121.7665	0.129	2	121.8311	0.746	54	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(O)2	122.4910	0.783	4	121.8311	0.746	54	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(O)2	121.8180	0.000	1	121.8311	0.746	54	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(O)2	121.5880	0.283	2	121.8311	0.746	54	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(O)2	121.2050	0.000	1	121.8311	0.746	54	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(O)2	123.1300	0.000	1	121.8311	0.746	54	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(O)2	120.7860	0.000	1	121.8311	0.746	54	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(O)2	122.0920	0.000	1	121.8311	0.746	54	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(O)2	121.8200	0.831	11	121.8311	0.746	54	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(O)2	121.4840	0.000	1	121.8311	0.746	54	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(O)2	122.3100	0.000	1	121.8311	0.746	54	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(O)2	121.1570	0.000	1	121.8311	0.746	54	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(O)2	122.2738	0.674	4	121.8311	0.746	54	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(O)2	122.0170	1.049	3	121.8311	0.746	54	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(O)2	121.7790	0.082	2	121.5437	0.170	3	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cd<6>,1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(O)2	121.0730	0.000	1	121.5437	0.170	3	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ni<6>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(O)2	120.5075	0.252	2	120.5075	0.064	2	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C(C[6]C[6]2)(O)2	119.1283	1.421	4	119.1283	2.019	4	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]O)(COO){1|Re<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(O)2	118.5720	1.710	2	118.5720	2.923	2	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	C(C[6]C[6]2)(O)2	118.5210	0.000	1	118.5210	0.000	1	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(O)2	120.3430	0.000	1	120.3847	1.005	11	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Mg<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(O)2	119.3323	0.982	3	120.3847	1.005	11	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(O)2	121.8690	0.000	1	120.3847	1.005	11	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(O)2	120.5460	0.000	1	120.3847	1.005	11	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(O)2	121.7220	0.000	1	120.3847	1.005	11	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(O)2	120.6460	0.000	1	120.3847	1.005	11	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(O)2	120.4250	0.000	1	120.3847	1.005	11	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(O)2	120.3420	0.840	2	120.3847	1.005	11	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(O)2	121.8036	0.610	5	120.9418	1.098	124	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(O)2	120.2977	0.989	4	120.9418	1.098	124	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mg<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(O)2	122.4770	0.576	3	120.9418	1.098	124	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(O)2	120.4880	0.000	1	120.9418	1.098	124	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(O)2	122.4445	1.599	2	120.9418	1.098	124	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(O)2	121.4545	1.089	6	120.9418	1.098	124	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(O)2	121.1000	0.000	1	120.9418	1.098	124	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(O)2	119.7220	0.000	1	120.9418	1.098	124	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(O)2	120.9870	0.000	1	120.9418	1.098	124	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(O)2	121.0440	0.000	1	120.9418	1.098	124	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(O)2	120.9148	1.622	10	120.9418	1.098	124	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(O)2	120.9864	0.457	59	120.9418	1.098	124	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(O)2	120.4073	1.515	26	120.9418	1.098	124	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(O)2	121.0965	0.381	2	120.9418	1.098	124	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(O)2	121.0325	0.507	2	120.9418	1.098	124	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>}	C(C[6]C[6]2)(O)2	118.8780	0.000	1	118.8780	0.000	1	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(O)2	119.8317	1.043	4	120.2016	2.664	16	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(O)2	121.9073	0.541	4	120.2016	2.664	16	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(O)2	118.2565	1.023	2	120.2016	2.664	16	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(O)2	119.9593	1.713	6	120.2016	2.664	16	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)2(COO){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Mn<8>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(O)2	119.9050	0.000	1	119.9050	0.000	1	120.8086	2.266	233	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)2	120.3180	0.000	1	120.3180	0.000	1	120.3180	0.000	1	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHO)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHO){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)(O)	119.1530	0.000	1	119.1530	0.000	1	119.1577	0.018	3	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHO)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHO){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)(O)	119.1600	0.188	2	119.1600	0.035	2	119.1577	0.018	3	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(O)2	122.4320	0.000	1	122.4320	0.000	1	120.9630	4.316	2	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,2|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(O)2	119.4940	0.000	1	119.4940	0.000	1	120.9630	4.316	2	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:Cl-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CClO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(Cl)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CClO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(Cl)(O)	122.0750	0.000	1	122.0750	0.000	1	122.0750	0.000	1	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]2)(C[6]N[6]H)(COO){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(O)2	117.9210	0.000	1	117.9210	0.000	1	119.3831	1.868	27	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]C)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(O)2	119.9245	0.039	2	119.9245	0.002	2	119.3831	1.868	27	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(O)2	120.1865	0.500	4	120.1865	0.250	4	119.3831	1.868	27	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(O)2	118.9370	0.424	2	119.8421	1.508	14	119.3831	1.868	27	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(O)2	119.9930	1.262	12	119.8421	1.508	14	119.3831	1.868	27	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]N)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]N)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(O)2	118.3260	0.970	4	118.3260	0.942	4	119.3831	1.868	27	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(COO){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(O)2	116.8670	0.085	2	116.8670	0.007	2	119.3831	1.868	27	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:H-1:O-1:	C[6](C[6]N[6]N)(C[6]N[6]O)(CHO)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(CHO){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|S<1>,2|N<3>}	C(C[6]C[6]2)(H)(O)	118.7010	0.000	1	118.7010	0.000	1	118.7010	0.000	1	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)(O)	120.3260	0.000	1	120.3260	0.000	1	119.1384	0.685	5	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(H)(O)	118.4540	0.608	2	118.4540	0.370	2	119.1384	0.685	5	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)(O)	119.2290	0.079	2	119.2290	0.006	2	119.1384	0.685	5	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(O)2	119.8950	0.300	2	119.8025	0.084	4	120.0275	0.856	43	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cd<6>,1|C<3>,1|O<2>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(O)2	119.9630	0.000	1	119.8025	0.084	4	120.0275	0.856	43	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cd<6>,1|C<3>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|C<2>,2|H<1>}	C(C[6]C[6]2)(O)2	119.4570	0.000	1	119.8025	0.084	4	120.0275	0.856	43	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Co<6>,1|C<3>,1|F<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(O)2	119.4080	0.000	1	119.2990	0.063	3	120.0275	0.856	43	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(O)2	119.2445	0.330	2	119.2990	0.063	3	120.0275	0.856	43	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(O)2	120.7855	0.203	2	120.0283	1.140	9	120.0275	0.856	43	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(O)2	120.0170	0.000	1	120.0283	1.140	9	120.0275	0.856	43	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(O)2	121.2365	0.374	2	120.0283	1.140	9	120.0275	0.856	43	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(O)2	119.0485	0.586	4	120.0283	1.140	9	120.0275	0.856	43	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(O)2	118.6140	0.000	1	119.4705	1.467	2	120.0275	0.856	43	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(O)2	120.3270	0.000	1	119.4705	1.467	2	120.0275	0.856	43	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(O)2	120.7350	0.000	1	121.0835	0.243	2	120.0275	0.856	43	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(O)2	121.4320	0.000	1	121.0835	0.243	2	120.0275	0.856	43	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(O)2	120.1850	0.000	1	120.2205	0.957	15	120.0275	0.856	43	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(O)2	119.1000	0.000	1	120.2205	0.957	15	120.0275	0.856	43	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(O)2	120.0903	0.925	11	120.2205	0.957	15	120.0275	0.856	43	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ni<6>,2|C<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(O)2	121.5150	0.209	2	120.2205	0.957	15	120.0275	0.856	43	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(O)2	120.2940	0.000	1	120.2940	0.000	1	120.0275	0.856	43	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(O)2	119.3460	0.752	4	119.3460	0.566	4	120.0275	0.856	43	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(O)2	120.5753	0.902	3	120.5753	0.814	3	120.0275	0.856	43	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	P[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(C[6]P[6]H)(CHH)	C[6](P[6]C[6]Sm)(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]P[6]H)(CHH){1|Sm<12>,1|C<3>,1|H<1>}	C[6](P[6]C[6]Sm)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	C(C[6]C[6]2)(H)2	120.0400	0.000	1	120.0400	0.000	1	120.0400	0.000	1	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:Cl-1:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CClO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(Cl)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(CClO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(Cl)(O)	125.9640	0.000	1	125.9640	0.000	1	125.9640	0.000	1	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]2)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]2)(CHH){1|C<2>,1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[6](C[6]N[6]C)2(H){2|C<3>}	C(C[6]C[6]N[6])(H)2	123.5630	0.000	1	123.5630	0.000	1	123.7105	0.044	2	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHH){1|C<4>,1|N<3>,1|S<1>}	C[6](C[6]N[6]C)2(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)2	123.8580	0.000	1	123.8580	0.000	1	123.7105	0.044	2	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(O)2	C[6](C[6]C[6]H)(N[6]C[6]C)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(O)2	119.6555	0.343	2	119.6555	0.118	2	123.3678	7.697	24	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(O)2	118.2310	0.000	1	118.2310	0.000	1	123.3678	7.697	24	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(O)2	124.4363	1.414	7	124.0083	9.526	12	123.3678	7.697	24	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(O)2	123.4092	4.736	5	124.0083	9.526	12	123.3678	7.697	24	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(O)2	123.8659	1.223	8	123.8659	1.495	8	123.3678	7.697	24	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C(C[6]C[6]N[6])(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|N<2>,2|O<1>}	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(O)2	124.2590	0.000	1	124.2590	0.000	1	123.3678	7.697	24	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:C-3:	N[5,6]-3:C[6]-3:O-1:	C[6]-3:H-1:H-1:	C[6](C[6]N[5,6]O)(N[6]C[6]2)(CHH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(H)2	C[6](C[6]N[5,6]O)(N[6]C[6]2)(CHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]C)(O){1|C<4>,5|C<3>}	C(C[6]C[6]N[6])(H)2	118.9450	0.000	1	118.9450	0.000	1	118.9450	0.000	1	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[5,6]-3:C[6]-3:C-3:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[5a,6]H)(CHO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]C)(H)	C(C[6]N[5,6]C[6])(H)(O)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[5a,6]H)(CHO){6|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]C)(H){1|C<4>,1|N<3>,3|C<3>}	C(C[6]N[5,6]C[6])(H)(O)	120.8670	0.000	1	120.8670	0.000	1	120.8670	0.000	1	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](N[5,6]In[3x5]C[5,6])(C[6]C[6]H)(COO)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C(C[6]N[5,6]C[6])(O)2	C[6](N[5,6]In[3x5]C[5,6])(C[6]C[6]H)(COO){1|H<1>,2|C<3>,2|N<3>,3|O<2>}	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	C(C[6]N[5,6]C[6])(O)2	122.8943	0.568	3	122.8943	0.323	3	122.8943	0.323	3	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<8>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(H)2	122.2600	1.581	2	122.2600	2.500	2	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]N[6]C)2(H){2|C<3>}	C(C[6]C[6]N[6])(H)2	122.9310	0.000	1	122.9310	0.000	1	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	119.4320	0.000	1	118.8510	0.166	4	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	118.5780	0.102	2	118.8510	0.166	4	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Ge<2>,2|C<3>}	C(C[6]C[6]N[6])(H)2	118.8160	0.000	1	118.8510	0.166	4	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Br<1>,1|C<4>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	120.1130	0.266	2	120.3036	0.342	27	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Br<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	120.8130	0.000	1	120.3036	0.342	27	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|F<1>,1|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	121.0200	0.000	1	120.3036	0.342	27	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	120.4133	0.259	3	120.3036	0.342	27	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	119.7250	0.159	3	120.3036	0.342	27	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	121.0460	0.858	2	120.3036	0.342	27	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	119.7640	0.000	1	120.3036	0.342	27	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<2>,2|C<3>}	C(C[6]C[6]N[6])(H)2	120.7270	0.000	1	120.3036	0.342	27	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	119.0410	0.000	1	120.3036	0.342	27	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	119.5800	0.000	1	120.3036	0.342	27	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|P<3>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	119.8110	0.000	1	120.3036	0.342	27	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,2|C<3>,3|N<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	120.0920	0.000	1	120.3036	0.342	27	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,2|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	120.1520	0.089	2	120.3036	0.342	27	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Cl<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	120.5440	0.000	1	120.3036	0.342	27	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	120.1170	0.000	1	120.3036	0.342	27	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	121.0050	0.000	1	120.3036	0.342	27	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Si<4>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	120.3620	0.000	1	120.3036	0.342	27	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){2|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	120.7270	0.875	2	120.3036	0.342	27	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	120.8300	0.000	1	120.3036	0.342	27	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|O<2>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<5>,2|C<3>}	C(C[6]C[6]N[6])(H)2	119.5130	0.000	1	119.5130	0.000	1	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	121.1800	0.519	2	120.4694	0.549	5	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,2|N<3>,3|C<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	120.3530	0.000	1	120.4694	0.549	5	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	119.6540	0.000	1	120.4694	0.549	5	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){2|C<3>,2|C<4>,2|N<3>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	119.9800	0.000	1	120.4694	0.549	5	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CHH){1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C(C[6]C[6]N[6])(H)2	119.5560	0.000	1	119.5560	0.000	1	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(CHH){1|Br<2>,1|Li<5>,1|C<3>,1|N<3>,1|N<4>,2|C<4>}	C[6](C[6]N[6]C)2(H){1|Si<5>,2|C<3>}	C(C[6]C[6]N[6])(H)2	121.0110	0.000	1	121.0110	0.000	1	120.3209	0.949	42	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(H)(O)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(H)(O)	113.7040	0.000	1	113.7040	0.000	1	113.7040	0.000	1	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(O)2	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(O)2	123.6540	0.644	7	123.6540	0.414	7	122.6684	3.619	14	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(O)2	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(O)2	122.5815	0.359	2	122.5815	0.129	2	122.6684	3.619	14	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(O)2	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(O)2	123.2527	0.536	3	123.2527	0.287	3	122.6684	3.619	14	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(O)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(O)2	118.2440	0.000	1	118.2440	0.000	1	122.6684	3.619	14	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(O)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(O)2	118.6140	0.000	1	118.6140	0.000	1	122.6684	3.619	14	120.7570	3.704	519	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C(C[6]C[5,6]C[6])(OH)(O)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(COO){1|In<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[5,6]C[6])(OH)(O)	119.3120	0.000	1	119.3120	0.000	1	120.9000	8.219	4	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C(C[6]C[5,6]C[6])(OIn[5,5])(O)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(COO){1|In<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[5,6]C[6])(OIn[5,5])(O)	117.7480	0.000	1	117.7480	0.000	1	120.9000	8.219	4	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C(C[6]C[5,6]C[6])(OCo)(O)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C(C[6]C[5,6]C[6])(OCo)(O)	123.9650	0.000	1	123.9650	0.000	1	120.9000	8.219	4	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C(C[6]C[5,6]C[6])(OMn)(O)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C(C[6]C[5,6]C[6])(OMn)(O)	122.5750	0.000	1	122.5750	0.000	1	120.9000	8.219	4	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C(C[6]C[6,6a]C[6])(NO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHN){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(NO)(H)	120.2673	0.663	10	120.2673	0.440	10	120.2673	0.440	10	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]C)(C[6]C[6]N[6])(H)	C(C[6]C[6,6a]C[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]N[6])(H){1|Cu<4>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(OC)(O)	119.1025	0.798	2	119.1687	0.776	6	118.2146	1.839	20	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]C)(C[6]C[6]N[6])(H)	C(C[6]C[6,6a]C[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]N[6])(H){1|Mn<6>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(OC)(O)	118.6155	0.235	2	119.1687	0.776	6	118.2146	1.839	20	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]C)(C[6]C[6]N[6])(H)	C(C[6]C[6,6a]C[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]N[6])(H){1|Os<6>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(OC)(O)	119.7880	1.341	2	119.1687	0.776	6	118.2146	1.839	20	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	C(C[6]C[6,6a]C[6])(OH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	C(C[6]C[6,6a]C[6])(OH)(O)	117.6405	1.968	2	117.6405	3.873	2	118.2146	1.839	20	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C(C[6]C[6,6a]C[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(OC)(O)	119.5020	0.000	1	119.5020	0.000	1	118.2146	1.839	20	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C(C[6]C[6,6a]C[6])(OH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(OH)(O)	117.7510	1.080	4	117.7510	1.166	4	118.2146	1.839	20	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H)	C(C[6]C[6,6a]C[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H){1|Ir<6>,4|C<3>}	C(C[6]C[6,6a]C[6])(OC)(O)	117.7965	1.257	2	117.2298	2.438	5	118.2146	1.839	20	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H)	C(C[6]C[6,6a]C[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H){1|Pt<4>,4|C<3>}	C(C[6]C[6,6a]C[6])(OC)(O)	116.8520	1.884	3	117.2298	2.438	5	118.2146	1.839	20	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H)	C(C[6]C[6,6a]C[6])(OH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H){1|Pd<4>,4|C<3>}	C(C[6]C[6,6a]C[6])(OH)(O)	118.8080	0.000	1	118.8080	0.000	1	118.2146	1.839	20	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]C)(C[6]C[6]C)(H)	C(C[6]C[6,6a]C[6])(OC)(O)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6,6a]C[6])(OC)(O)	118.5360	0.000	1	118.5360	0.000	1	118.2146	1.839	20	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-2:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O)	C(C[6]C[6,6a]C[6])(NC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(NC)(H)	118.9563	0.149	3	118.9563	0.022	3	118.9563	0.022	3	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]S)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]S)(CHN){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C(C[6]C[6]2)(NN)(H)	121.2140	0.000	1	121.2140	0.000	1	121.2140	0.000	1	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO){1|Co<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	119.4330	0.000	1	119.5040	0.010	2	117.0672	12.523	9	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO){1|Zn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	119.5750	0.000	1	119.5040	0.010	2	117.0672	12.523	9	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO){1|Co<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6]2)(OH)(O)	112.8330	0.000	1	115.2240	15.288	5	117.0672	12.523	9	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6]2)(OH)(O)	122.1860	0.000	1	115.2240	15.288	5	117.0672	12.523	9	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO){1|Zn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6]2)(OH)(O)	113.7003	0.039	3	115.2240	15.288	5	117.0672	12.523	9	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]O)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OCd)(O)	C[6](C[6]C[6,6a]H)(C[6]O[6]O)(COO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|O<2>}	C(C[6]C[6]2)(OCd)(O)	118.6350	0.000	1	118.6350	0.000	1	117.0672	12.523	9	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]O)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OMn)(O)	C[6](C[6]C[6,6a]H)(C[6]O[6]O)(COO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|O<2>}	C(C[6]C[6]2)(OMn)(O)	119.8420	0.000	1	119.8420	0.000	1	117.0672	12.523	9	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(OFe)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(COO){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	C(C[6]C[6]2)(OFe)(O)	115.6045	0.586	2	115.6045	0.344	2	115.6045	0.344	2	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:S-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(S)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(S){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	122.3690	0.000	1	122.3690	0.000	1	124.3250	7.652	2	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:S-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(S)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(S){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	126.2810	0.000	1	126.2810	0.000	1	124.3250	7.652	2	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]Cl)2(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]Cl)2(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C(C[6]C[6]2)(NN)(H)	122.9887	3.551	4	122.9887	12.608	4	122.9887	12.608	4	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:F-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]F)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(F)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]F)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(F){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(OH)(O)	122.8850	0.000	1	122.8850	0.000	1	122.8850	0.000	1	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Br<1>,1|C<2>,1|H<1>}	C(C[6]C[6]2)(CC)(H)	122.8400	0.000	1	122.8400	0.000	1	122.1503	109.883	3	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CH)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH)(H)	121.8055	14.800	2	121.8055	219.053	2	122.1503	109.883	3	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[6a])(H)	120.7570	0.000	1	120.7570	0.000	1	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC)(H)	119.0340	0.014	2	119.5645	0.383	4	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC)(H)	120.0950	0.148	2	119.5645	0.383	4	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[6a])(H)	122.1275	0.494	2	121.5603	1.087	3	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[6a])(H)	120.4260	0.000	1	121.5603	1.087	3	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NO)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(NO)(H)	120.3970	0.000	1	120.3970	0.000	1	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[6a])(H)	117.3537	2.255	3	117.3537	5.084	3	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C(C[6]C[6]2)(NN[5])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NN[5])(H)	123.0760	0.000	1	123.0760	0.000	1	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC)(H)	116.1750	0.164	2	116.1750	0.027	2	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[6a])(H)	116.8935	1.631	2	116.8935	2.661	2	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC)(H)	119.1930	0.000	1	119.1930	0.000	1	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[5])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Mn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NC[5])(H)	121.9650	0.000	1	121.9650	0.000	1	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[5a])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Mn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NC[5a])(H)	121.2710	0.000	1	121.2710	0.000	1	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Hg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a])(H)	122.9483	2.415	7	122.9483	5.833	7	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NN)(H)	123.0660	0.000	1	121.5820	0.958	7	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NN)(H)	121.5070	0.000	1	121.5820	0.958	7	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NN)(H)	120.6060	0.000	1	121.5820	0.958	7	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NN)(H)	120.5440	0.000	1	121.5820	0.958	7	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NN)(H)	122.5340	0.000	1	121.5820	0.958	7	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NN)(H)	120.8860	0.000	1	121.5820	0.958	7	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NN)(H)	121.9310	0.000	1	121.5820	0.958	7	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NO)(H)	123.6225	0.728	2	123.6225	0.529	2	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)2(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC)(H)	120.8725	2.187	2	120.8725	4.783	2	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(NC[6a])(H)	120.9955	0.766	2	121.3248	1.577	10	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(NC[6a])(H)	121.0335	0.463	2	121.3248	1.577	10	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NC[6a])(H)	121.5317	1.597	6	121.3248	1.577	10	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(NN)(H)	121.1462	1.274	6	120.9672	2.321	38	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NN)(H)	120.6641	1.458	14	120.9672	2.321	38	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NN)(H)	121.1555	3.231	2	120.9672	2.321	38	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NN)(H)	121.1610	1.971	6	120.9672	2.321	38	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NN)(H)	120.9198	1.765	6	120.9672	2.321	38	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NN)(H)	121.4453	0.815	4	120.9672	2.321	38	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NN[5])(H)	C[6](C[6]C[6]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NN[5])(H)	121.0840	0.000	1	121.0840	0.000	1	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NN[5a])(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NN[5a])(H)	120.7920	1.987	2	120.7920	3.948	2	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NO)(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(NO)(H)	121.2642	1.723	12	121.0557	3.102	24	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NO)(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NO)(H)	120.7944	1.934	10	121.0557	3.102	24	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NO)(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NO)(H)	121.1110	1.957	2	121.0557	3.102	24	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(NN[5])(H)	C[6](C[6]C[6]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(NN[5])(H)	120.4900	0.000	1	120.4900	0.000	1	120.9385	3.715	114	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(NC[6a])(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[6a])(O)	122.1545	0.093	2	122.1545	0.009	2	120.9411	8.168	16	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NC)(O)	118.5250	0.000	1	119.4093	6.210	4	120.9411	8.168	16	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(NC)(O)	121.1730	2.154	2	119.4093	6.210	4	120.9411	8.168	16	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NC)(O)	116.7660	0.000	1	119.4093	6.210	4	120.9411	8.168	16	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NH)(O)	125.5240	0.000	1	123.0250	12.025	3	120.9411	8.168	16	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NH)(O)	124.4850	0.000	1	123.0250	12.025	3	120.9411	8.168	16	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NH)(O)	119.0660	0.000	1	123.0250	12.025	3	120.9411	8.168	16	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NN)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NN)(O)	123.6860	0.000	1	123.6860	0.000	1	120.9411	8.168	16	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(NC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|O<1>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NC)(O)	118.3540	0.112	2	118.3540	0.012	2	120.9411	8.168	16	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NH)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NH)(O)	120.8655	3.535	2	120.8655	12.495	2	120.9411	8.168	16	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NN)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NN)(O)	120.9555	4.586	2	120.9555	21.028	2	120.9411	8.168	16	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(OC)(O)	118.2390	0.000	1	118.2390	0.000	1	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	119.2470	0.000	1	119.2470	0.000	1	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<9>,1|N<3>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	119.0920	0.000	1	119.0920	0.000	1	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(OH)(O)	119.2975	0.523	2	119.2975	0.273	2	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]I)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]C)(C[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(OH)(O)	119.5080	0.000	1	119.5080	0.000	1	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,2|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(OC)(O)	119.2090	0.000	1	119.2090	0.000	1	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,2|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(OH)(O)	118.3491	0.865	25	118.2584	0.933	26	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(OH)(O)	115.9900	0.000	1	118.2584	0.933	26	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OCu)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]2)(OCu)(O)	117.8385	0.540	2	117.8385	0.291	2	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OCd)(O)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OCd)(O)	117.5150	0.000	1	117.5150	0.000	1	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OCo)(O)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OCo)(O)	118.4500	0.000	1	118.4500	0.000	1	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OCu)(O)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OCu)(O)	118.6335	1.207	2	118.6335	1.457	2	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(O)	116.0805	1.501	2	116.5705	4.409	4	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(O)	114.8230	0.000	1	116.5705	4.409	4	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(O)	119.2980	0.000	1	116.5705	4.409	4	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(OCo)(O)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|C<4>}	C(C[6]C[6]2)(OCo)(O)	119.2250	0.000	1	119.2250	0.000	1	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|C<4>}	C(C[6]C[6]2)(OH)(O)	116.7900	0.000	1	116.7900	0.000	1	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	119.2415	0.152	2	119.2415	0.023	2	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Br<1>,1|Zn<6>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	120.4275	2.353	2	120.4275	5.534	2	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	121.8750	1.478	11	121.4343	4.438	63	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	119.3175	0.118	2	121.4343	4.438	63	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	123.4600	0.000	1	121.4343	4.438	63	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	121.6753	2.113	3	121.4343	4.438	63	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	118.7600	0.000	1	121.4343	4.438	63	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cr<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	123.1410	0.000	1	121.4343	4.438	63	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	120.1980	0.000	1	121.4343	4.438	63	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	121.3096	2.211	9	121.4343	4.438	63	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	123.4093	2.387	3	121.4343	4.438	63	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	124.0090	0.322	2	121.4343	4.438	63	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	122.0360	2.155	2	121.4343	4.438	63	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Mn<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	119.7177	0.270	3	121.4343	4.438	63	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	120.6170	2.111	2	121.4343	4.438	63	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	118.0490	0.846	3	121.4343	4.438	63	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	121.4870	2.853	3	121.4343	4.438	63	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	124.0120	0.000	1	121.4343	4.438	63	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	120.9763	1.242	4	121.4343	4.438	63	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	122.9670	0.000	1	121.4343	4.438	63	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	122.1426	2.983	5	121.4343	4.438	63	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Re<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	123.5510	0.000	1	121.4343	4.438	63	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	120.5665	1.766	4	121.4343	4.438	63	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC[6a])(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Hg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OC[6a])(O)	119.9887	0.871	19	119.9887	0.759	19	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OCd)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OCd)(O)	122.6230	0.000	1	121.6510	1.890	2	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OCd)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OCd)(O)	120.6790	0.000	1	121.6510	1.890	2	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OCo)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OCo)(O)	120.9520	0.000	1	120.4015	0.606	2	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OCo)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OCo)(O)	119.8510	0.000	1	120.4015	0.606	2	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	119.7830	0.000	1	121.2502	3.667	57	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	119.1840	0.000	1	121.2502	3.667	57	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C(C[6]C[6]2)(OH)(O)	120.5400	0.000	1	121.2502	3.667	57	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	121.1461	1.715	22	121.2502	3.667	57	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(O)	122.3695	3.693	2	121.2502	3.667	57	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(O)	119.8575	1.681	2	121.2502	3.667	57	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(O)	122.7970	0.643	2	121.2502	3.667	57	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(O)	122.7870	0.000	1	121.2502	3.667	57	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	123.1220	0.000	1	121.2502	3.667	57	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(O)	118.8710	0.000	1	121.2502	3.667	57	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(O)	118.5590	0.332	2	121.2502	3.667	57	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(O)	123.0645	0.709	2	121.2502	3.667	57	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(O)	121.3980	3.078	4	121.2502	3.667	57	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	123.0250	0.000	1	121.2502	3.667	57	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(O)	121.4052	1.792	4	121.2502	3.667	57	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(O)	121.2895	0.244	2	121.2502	3.667	57	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(O)	119.9190	0.000	1	121.2502	3.667	57	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(O)	122.6570	0.000	1	121.2502	3.667	57	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Rh<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(O)	121.9365	2.882	4	121.2502	3.667	57	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(O)	120.6640	1.556	2	121.2502	3.667	57	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OMg)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OMg)(O)	122.8750	0.000	1	122.8750	0.000	1	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OMn)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OMn)(O)	120.5460	0.000	1	121.5805	2.140	2	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OMn)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C(C[6]C[6]2)(OMn)(O)	122.6150	0.000	1	121.5805	2.140	2	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OZn)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OZn)(O)	121.6970	1.447	2	121.6970	2.093	2	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	122.8340	0.000	1	122.8340	0.000	1	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|N<2>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	122.3250	0.000	1	122.3250	0.000	1	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Re<6>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	121.2498	2.673	4	121.2498	7.146	4	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	120.0260	0.000	1	120.6086	1.180	5	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pd<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	120.2890	1.848	2	120.6086	1.180	5	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pt<6>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	121.2195	0.120	2	120.6086	1.180	5	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(ONi)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(ONi)(O)	120.9800	0.000	1	120.9800	0.000	1	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C(C[6]C[6]2)(OH)(O)	120.7425	1.163	13	120.7425	1.353	13	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OCo)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(OCo)(O)	119.3775	0.784	2	119.3775	0.615	2	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(ONi)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(ONi)(O)	120.1830	0.000	1	120.1830	0.000	1	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(ORh)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(COO){1|Rh<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(ORh)(O)	118.3535	0.023	2	118.3535	0.001	2	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OZn)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(OZn)(O)	118.4705	0.807	2	118.4705	0.651	2	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]P)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<4>}	C(C[6]C[6]2)(OH)(O)	119.4635	1.237	2	119.4635	1.530	2	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]S)(COO){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C(C[6]C[6]2)(OC)(O)	121.7380	0.178	2	121.7380	0.032	2	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]S)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C(C[6]C[6]2)(OH)(O)	120.7590	0.000	1	118.6877	3.218	3	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]S)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>}	C(C[6]C[6]2)(OH)(O)	117.6520	0.000	2	118.6877	3.218	3	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OMn)(O)	C[6](C[6]C[6]H)(C[6]N[6]S)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C(C[6]C[6]2)(OMn)(O)	117.5310	1.305	2	117.5310	1.704	2	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]P[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]P[6]H)(COO){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|O<2>,1|P<3>}	C(C[6]C[6]2)(OC)(O)	120.7580	0.000	1	120.7580	0.000	1	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	118.3710	3.635	3	118.3710	13.212	3	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,2|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	121.7260	0.000	1	118.8957	6.035	3	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,2|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	117.4805	0.234	2	118.8957	6.035	3	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C(C[6]C[6]2)(OZn)(O)	C[6](C[6]C[6]H)2(COO){1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OZn)(O)	120.5510	0.711	2	120.5510	0.506	2	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	119.7873	1.859	4	119.5367	3.781	10	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	118.0460	0.000	1	119.5367	3.781	10	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	118.1410	0.000	1	119.5367	3.781	10	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	120.0078	2.473	4	119.5367	3.781	10	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(OH)(O)	118.1830	0.000	1	120.0515	2.167	21	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	119.0680	0.000	1	120.0515	2.167	21	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	119.8997	1.433	6	120.0515	2.167	21	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(OH)(O)	122.1850	0.000	1	120.0515	2.167	21	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	121.4510	0.000	1	120.0515	2.167	21	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Al<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	119.7700	3.070	2	120.0515	2.167	21	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	120.9340	0.000	1	120.0515	2.167	21	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	120.1870	1.540	2	120.0515	2.167	21	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	120.1055	1.406	2	120.0515	2.167	21	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	119.9342	1.544	4	120.0515	2.167	21	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	121.2060	1.768	28	120.7003	4.136	143	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	119.8170	0.738	2	120.7003	4.136	143	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	122.2147	1.496	8	120.7003	4.136	143	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	118.5380	0.113	2	120.7003	4.136	143	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	120.3065	3.696	2	120.7003	4.136	143	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	119.4220	1.256	18	120.7003	4.136	143	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	121.1881	1.877	11	120.7003	4.136	143	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	119.1552	0.701	6	120.7003	4.136	143	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	119.0705	0.326	2	120.7003	4.136	143	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	120.5378	2.276	14	120.7003	4.136	143	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	122.5070	0.000	1	120.7003	4.136	143	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	123.0000	0.000	1	120.7003	4.136	143	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	121.2116	2.702	10	120.7003	4.136	143	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(OC)(O)	121.2540	2.845	2	120.7003	4.136	143	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	120.7560	2.269	4	120.7003	4.136	143	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	120.8900	3.207	4	120.7003	4.136	143	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	120.7272	1.830	4	120.7003	4.136	143	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	120.8696	2.394	8	120.7003	4.136	143	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	120.7641	2.305	12	120.7003	4.136	143	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	120.5075	1.604	2	120.7003	4.136	143	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	120.6510	2.951	2	120.7003	4.136	143	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC[6a])(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(OC[6a])(O)	121.3406	2.322	5	120.3453	9.522	19	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC[6a])(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC[6a])(O)	120.6935	2.719	4	120.3453	9.522	19	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC[6a])(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC[6a])(O)	120.6625	3.231	4	120.3453	9.522	19	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OC[6a])(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC[6a])(O)	119.0723	4.019	6	120.3453	9.522	19	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OCo)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OCo)(O)	120.1230	0.000	1	120.1230	0.000	1	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(OH)(O)	123.2440	0.000	1	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	121.7230	0.000	1	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	121.7853	0.638	3	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	122.1890	0.000	1	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	121.9150	0.888	4	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	120.8280	0.679	4	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	121.8740	0.879	3	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	121.6633	1.279	4	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	121.3223	1.460	6	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	121.3941	1.045	19	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(OH)(O)	119.5090	0.000	1	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	119.5410	0.000	1	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	122.1860	0.000	1	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Au<3>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	120.5035	2.583	2	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	120.6360	0.925	2	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(OH)(O)	120.9549	0.371	16	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	120.0387	2.298	60	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	120.9809	1.698	10	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	119.9945	2.582	2	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	120.9920	0.554	2	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	120.8740	0.178	2	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	120.7030	1.373	4	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	120.6195	0.323	2	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	120.7825	1.699	8	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	120.8640	3.623	2	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	120.8230	1.574	4	120.7282	3.140	165	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OMg)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OMg)(O)	122.1130	0.000	1	120.8663	1.191	3	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OMg)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OMg)(O)	120.2430	0.226	2	120.8663	1.191	3	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OMn)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(OMn)(O)	120.9760	0.110	2	120.9760	0.012	2	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(ONi)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(ONi)(O)	120.6605	0.591	4	120.9700	1.049	8	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(ONi)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(ONi)(O)	121.2795	1.357	4	120.9700	1.049	8	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OZn)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OZn)(O)	121.9105	0.890	2	121.9105	0.793	2	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]P)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]C)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	117.8200	0.000	1	117.8200	0.000	1	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(OZn)(O)	C[6](C[6]C[6]H)2(COO){1|O<1>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OZn)(O)	119.8040	0.922	2	119.8040	0.850	2	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	120.3388	2.039	4	120.6224	3.521	96	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	119.5728	1.647	28	120.6224	3.521	96	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	121.0855	0.825	2	120.6224	3.521	96	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	119.9560	1.314	4	120.6224	3.521	96	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	122.6315	0.292	2	120.6224	3.521	96	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	120.7390	2.434	2	120.6224	3.521	96	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	121.7849	1.186	18	120.6224	3.521	96	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	120.0848	2.223	11	120.6224	3.521	96	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	121.9718	0.917	6	120.6224	3.521	96	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	122.5065	0.416	2	120.6224	3.521	96	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	120.7118	2.221	13	120.6224	3.521	96	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	121.5130	0.000	1	120.6224	3.521	96	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	119.6450	3.011	2	120.6224	3.521	96	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	121.6600	0.000	1	120.6224	3.521	96	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OCo)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OCo)(O)	120.4290	0.000	1	120.4290	0.000	1	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	119.0853	0.293	3	119.2811	1.104	41	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	118.8517	0.642	4	119.2811	1.104	41	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	117.8140	0.000	1	119.2811	1.104	41	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	119.3440	0.702	4	119.2811	1.104	41	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	119.1030	1.093	3	119.2811	1.104	41	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	118.9158	1.182	4	119.2811	1.104	41	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	119.5393	0.913	19	119.2811	1.104	41	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	120.0330	0.000	1	119.2811	1.104	41	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	119.2110	3.769	2	119.2811	1.104	41	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OMg)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OMg)(O)	119.1630	0.000	1	119.1630	0.000	1	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OZn)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OZn)(O)	121.0115	0.699	2	121.0115	0.489	2	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	119.1937	0.996	4	119.5608	3.213	22	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	119.0600	0.000	1	119.5608	3.213	22	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	119.6766	1.992	17	119.5608	3.213	22	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	119.5708	3.396	4	119.9519	6.149	8	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){1|C<3>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	121.5170	0.369	2	119.9519	6.149	8	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)2(COO){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	119.1490	1.239	2	119.9519	6.149	8	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)2(COO){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	119.1159	2.117	10	119.1159	4.483	10	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	119.1530	0.000	1	118.3970	6.065	5	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	118.2420	4.851	2	118.3970	6.065	5	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	118.1740	0.106	2	118.3970	6.065	5	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(COO){1|C<4>,4|C<3>}	C[6](C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	121.0050	0.000	1	121.0050	0.000	1	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(COO){1|In<6>,1|C<3>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(O)	122.0870	0.000	1	122.0870	0.000	1	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[6,6a]O)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OMg)(O)	C[6](C[6]N[6,6a]O)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H){1|C<3>,1|N<3>,1|O<2>}	C(C[6]C[6]2)(OMg)(O)	118.0290	0.000	1	118.0290	0.000	1	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]Se)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]N[6]Se)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Se<1>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(O)	115.6560	0.000	1	115.6560	0.000	1	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]O[6]Cr)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]O[6]Cr)(C[6]C[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cr<6>,2|O<2>}	C(C[6]C[6]2)(OC)(O)	113.0760	0.000	1	113.0760	0.000	1	120.4043	4.000	815	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|C<4>}	C(C[6]C[6]2)(NC[6a])(H)	117.2530	0.000	1	117.2530	0.000	1	120.5126	9.010	18	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC)(H)	121.4035	0.931	2	121.4035	0.867	2	120.5126	9.010	18	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a])(H)	119.0660	0.000	1	122.2545	7.222	4	120.5126	9.010	18	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a])(H)	123.3173	2.014	3	122.2545	7.222	4	120.5126	9.010	18	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a])(H)	115.6625	0.508	2	115.6625	0.258	2	120.5126	9.010	18	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C(C[6]C[6]2)(NN[5])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NN[5])(H)	115.4880	0.000	1	115.4880	0.000	1	120.5126	9.010	18	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC)(H)	120.8605	0.183	2	120.8605	0.034	2	120.5126	9.010	18	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a])(H)	119.6300	0.000	1	119.6300	0.000	1	120.5126	9.010	18	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC)(H)	123.1760	0.587	2	123.1760	0.344	2	120.5126	9.010	18	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a])(H)	123.2485	1.133	2	123.2485	1.285	2	120.5126	9.010	18	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C(C[6]C[6]2)(NC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC)(H)	119.1350	0.000	1	119.1350	0.000	1	120.5126	9.010	18	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-2:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)(NC[6a])(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a])(O)	118.7530	0.791	2	118.7530	0.625	2	118.7530	0.625	2	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6]O)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(O)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(COO){1|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(O){1|O<2>,2|C<4>}	C(C[6]C[6]2)(OH)(O)	117.1830	0.000	1	117.1830	0.000	1	119.5021	2.541	42	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(COO){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	118.4030	0.000	1	118.4030	0.000	1	119.5021	2.541	42	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(O)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(COO){1|C<4>,2|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]2)(OH)(O)	120.8130	0.000	1	120.8130	0.000	1	119.5021	2.541	42	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(COO)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(COO){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O){3|C<3>}	C(C[6]C[6]2)(OC)(O)	117.1580	0.000	1	117.1580	0.000	1	119.5021	2.541	42	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(COO){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O){1|O<2>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	121.2135	0.013	2	121.2135	0.000	2	119.5021	2.541	42	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]F)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]F)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|F<1>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	120.2920	0.000	1	120.2920	0.000	1	119.5021	2.541	42	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	120.5660	0.000	1	120.5660	0.000	1	119.5021	2.541	42	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,2|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	119.1170	0.000	1	119.1170	0.000	1	119.5021	2.541	42	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,2|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	119.9611	0.761	25	119.9611	0.579	25	119.5021	2.541	42	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	121.4260	0.085	2	120.7343	1.439	3	119.5021	2.541	42	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	119.3510	0.000	1	120.7343	1.439	3	119.5021	2.541	42	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]O)2(COO)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]O)2(COO){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|O<2>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	116.3798	1.350	5	116.3798	1.823	5	119.5021	2.541	42	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NN)(H)	119.2650	0.000	1	119.2650	0.000	1	118.8933	0.426	3	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(NO)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NO)(H)	118.7075	0.803	2	118.7075	0.644	2	118.8933	0.426	3	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(NH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NH)(O)	115.7090	0.000	1	115.7090	0.000	1	120.2726	11.699	5	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(NN)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NN)(O)	117.6760	0.000	1	117.6760	0.000	1	120.2726	11.699	5	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(NC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC)(O)	123.8500	0.000	1	123.8500	0.000	1	120.2726	11.699	5	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C(C[6]C[6]2)(NC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC)(O)	122.0640	0.106	2	122.0640	0.011	2	120.2726	11.699	5	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]2)(C[6]N[6]H)(COO){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	119.5640	0.000	1	119.5640	0.000	1	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]C)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	119.5780	0.150	2	119.5780	0.022	2	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	121.2245	0.397	2	119.0244	3.111	18	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	118.6436	1.760	11	119.0244	3.111	18	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	118.4520	0.242	2	119.0244	3.111	18	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	119.3357	2.177	3	119.0244	3.111	18	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(OCo)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OCo)(O)	120.1070	0.000	1	120.1070	0.000	1	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	120.6970	0.000	1	120.6970	0.000	1	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	118.1690	0.000	1	118.1690	0.000	1	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	118.9990	0.000	1	120.0536	2.353	25	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OH)(O)	121.0930	0.000	1	120.0536	2.353	25	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	119.9960	1.582	22	120.0536	2.353	25	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	121.3370	0.000	1	120.0536	2.353	25	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(ONi)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(ONi)(O)	120.1270	0.000	1	120.1270	0.000	1	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	120.9205	0.334	2	120.9205	0.112	2	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C(C[6]C[6]2)(OCd)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OCd)(O)	118.7370	0.000	1	118.7370	0.000	1	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	121.1900	0.000	1	121.1900	0.000	1	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(OZn)(O)	C[6](C[6]C[6]O)(C[6]N[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]2)(OZn)(O)	116.6720	0.082	2	116.2870	0.448	3	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(OZn)(O)	C[6](C[6]C[6]O)(C[6]N[6]H)(COO){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(OZn)(O)	115.5170	0.000	1	116.2870	0.448	3	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(COO){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	115.7255	0.030	2	115.7255	0.001	2	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]C)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]S[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[6]C)(C[6]N[6]H)(COO){1|C<4>,1|S<4>}	C[6](C[6]C[6]C)(N[6]S[6]C)(H){1|C<4>,1|N<2>,2|O<1>}	C(C[6]C[6]2)(OC)(O)	114.4980	0.000	1	114.4980	0.000	1	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(OCo)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(OCo)(O)	118.2780	0.163	2	118.2780	0.026	2	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(OFe)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(OFe)(O)	118.8390	0.000	1	118.8390	0.000	1	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	C(C[6]C[6]2)(OH)(O)	120.2743	0.353	3	120.2743	0.125	3	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(OMn)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(OMn)(O)	119.6060	0.000	1	119.6060	0.000	1	119.3135	3.352	67	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|O<1>}	C(C[6]C[6]2)(OH)(O)	121.5690	0.000	1	121.4313	0.050	4	121.4313	0.050	4	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]2)(OH)(O)	121.3853	0.249	3	121.4313	0.050	4	121.4313	0.050	4	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:Se-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]Se)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(Se)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]N[6]Se)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(Se){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	125.2160	0.000	1	125.2160	0.000	1	125.2160	0.000	1	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(COO)	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(COO){1|In<6>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]C)(H){3|Cl<1>,1|H<1>,1|O<2>,1|O<3>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	119.4460	0.000	1	119.4460	0.000	1	119.4460	0.000	1	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NN)(H)	120.2260	0.000	1	120.2260	0.000	1	120.3101	3.099	15	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NN)(H)	121.4730	0.000	1	121.4730	0.000	1	120.3101	3.099	15	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NN)(H)	121.9450	0.000	1	121.9450	0.000	1	120.3101	3.099	15	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](N[6]C[6]Hg)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a])(H)	119.7826	2.251	7	119.7826	5.066	7	120.3101	3.099	15	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC[5])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Mn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[5])(H)	120.1380	0.000	1	120.1380	0.000	1	120.3101	3.099	15	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC[5a])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Mn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[5a])(H)	122.2650	0.000	1	122.2650	0.000	1	120.3101	3.099	15	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NN)(H)	118.9530	0.000	1	118.9530	0.000	1	120.3101	3.099	15	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NN)(H)	121.3500	0.000	1	121.3500	0.000	1	120.3101	3.099	15	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NN)(H)	119.8230	0.000	1	119.8230	0.000	1	120.3101	3.099	15	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(NC)(O)	120.7975	1.583	2	120.7975	2.507	2	121.1772	6.071	5	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NH)(O)	117.9210	0.000	1	117.9210	0.000	1	121.1772	6.071	5	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC)(O)	124.3730	0.000	1	124.3730	0.000	1	121.1772	6.071	5	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NH)(O)	121.9970	0.000	1	121.9970	0.000	1	121.1772	6.071	5	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(COO){1|C<4>,4|C<3>}	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	116.0280	0.000	1	116.0280	0.000	1	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OBa)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C(C[6]C[6]2)(OBa)(O)	116.9960	0.307	2	116.9960	0.094	2	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OCa)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C(C[6]C[6]2)(OCa)(O)	118.0933	0.380	3	118.0933	0.144	3	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OCo)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C(C[6]C[6]2)(OCo)(O)	116.7760	0.564	5	116.7760	0.318	5	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OCu)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|O<2>}	C(C[6]C[6]2)(OCu)(O)	117.5630	0.000	1	116.6859	0.247	8	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OCu)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C(C[6]C[6]2)(OCu)(O)	116.5606	0.376	7	116.6859	0.247	8	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	121.2130	0.000	1	121.2130	0.000	1	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OMg)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C(C[6]C[6]2)(OMg)(O)	116.6740	0.000	1	116.6740	0.000	1	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OMn)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C(C[6]C[6]2)(OMn)(O)	116.1940	0.000	1	116.1940	0.000	1	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C(C[6]C[6]2)(ONi)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|O<2>}	C(C[6]C[6]2)(ONi)(O)	117.4230	0.000	1	117.4230	0.000	1	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C(C[6]C[6]2)(ORu)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|O<2>}	C(C[6]C[6]2)(ORu)(O)	115.4560	0.788	2	115.4560	0.620	2	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OZn)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|O<2>}	C(C[6]C[6]2)(OZn)(O)	117.3820	0.000	1	117.0153	0.174	3	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OZn)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C(C[6]C[6]2)(OZn)(O)	116.8320	0.382	2	117.0153	0.174	3	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OCu)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(OCu)(O)	115.8470	0.837	2	115.8470	0.701	2	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(OH)(O)	120.0323	1.206	3	120.0323	1.455	3	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OMn)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(OMn)(O)	116.8280	0.537	3	116.8280	0.288	3	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OSn)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(OSn)(O)	117.3000	0.000	1	117.3000	0.000	1	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OZn)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(OZn)(O)	117.1500	0.000	1	117.1500	0.000	1	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|S<1>}	C(C[6]C[6]2)(OC)(O)	115.6660	0.000	1	115.6660	0.000	1	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|S<1>}	C(C[6]C[6]2)(OH)(O)	113.8790	0.000	1	113.8790	0.000	1	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C(C[6]C[6]2)(ORu)(O)	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|S<2>}	C(C[6]C[6]2)(ORu)(O)	113.8950	0.000	1	113.8950	0.000	1	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]C)(C[6]N[6]H)(COO){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){3|C<3>}	C(C[6]C[6]2)(OC)(O)	120.8040	0.000	1	120.8040	0.000	1	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OCd)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OCd)(O)	120.7330	0.000	1	120.7330	0.000	1	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	119.2890	3.479	2	119.2890	12.103	2	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	122.2300	0.000	1	120.0515	4.489	4	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	119.3253	1.889	3	120.0515	4.489	4	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OCo)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OCo)(O)	121.8720	0.000	1	121.8720	0.000	1	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	120.9545	1.580	2	120.9545	2.498	2	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Cr)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	117.2930	0.000	1	117.2930	0.000	1	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	121.4270	0.000	1	121.4270	0.000	1	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	119.3435	0.556	2	119.5506	2.531	5	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	118.3360	0.000	1	119.5506	2.531	5	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	118.5040	0.000	1	119.5506	2.531	5	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	122.2260	0.000	1	119.5506	2.531	5	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	119.6203	2.111	9	119.6203	4.456	9	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	117.8350	0.692	2	120.0408	6.694	4	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	122.2465	0.375	2	120.0408	6.694	4	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Hg)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC[6a])(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OC[6a])(O)	121.7863	0.733	19	121.7863	0.537	19	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	119.2770	2.094	2	119.2770	4.387	2	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	121.3000	0.276	3	121.3000	0.076	3	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OMn)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OMn)(O)	120.1370	0.000	1	120.6165	0.460	2	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OMn)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OMn)(O)	121.0960	0.000	1	120.6165	0.460	2	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Mo)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	120.7135	2.280	2	120.7135	5.200	2	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	119.8127	2.768	3	120.7833	7.034	7	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	117.5310	0.000	1	120.7833	7.034	7	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	122.8380	0.637	3	120.7833	7.034	7	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	120.4105	0.756	4	120.4105	0.571	4	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	117.9480	0.000	1	119.8596	4.984	8	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	120.3167	2.937	4	119.8596	4.984	8	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pd<4>,1|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<2>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	118.9290	0.000	1	119.8596	4.984	8	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pd<4>,2|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	120.3665	1.774	2	119.8596	4.984	8	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	118.0750	0.000	1	118.8222	6.468	6	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	118.9716	2.814	5	118.8222	6.468	6	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	120.1630	1.912	4	119.9023	2.017	8	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	118.9235	0.725	2	119.9023	2.017	8	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pt<6>,2|C<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	120.3595	0.122	2	119.9023	2.017	8	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Re<6>,2|C<3>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	119.7067	2.581	4	119.3290	5.710	5	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Re<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]2)(OC)(O)	117.8180	0.000	1	119.3290	5.710	5	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	118.9900	0.000	1	120.3195	3.535	2	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	121.6490	0.000	1	120.3195	3.535	2	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Rh)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	118.6457	2.402	4	118.6457	5.771	4	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	120.4140	2.171	4	120.4140	4.712	4	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	119.9515	1.716	2	119.9515	2.945	2	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OMg)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OMg)(O)	118.4350	0.000	1	118.4350	0.000	1	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Br<1>,1|Zn<6>,1|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	121.4005	2.802	2	121.4005	7.853	2	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OZn)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OZn)(O)	119.9640	1.117	2	119.9640	1.248	2	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]H)2(COO)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OPt)(O)	C[6](C[6]N[6]H)2(COO){1|Pt<4>,1|C<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|N<2>,2|H<1>}	C(C[6]C[6]2)(OPt)(O)	122.3060	1.201	3	122.3060	1.442	3	119.4388	5.506	158	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:S-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]S)(CHN)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(S)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]S)(CHN){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(S){1|H<1>,2|C<3>}	C(C[6]C[6]2)(NN)(H)	118.9180	0.000	1	118.9180	0.000	1	118.9180	0.000	1	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	P[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]P[6]H)(COO)	C[6](P[6]C[6]Cu)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]P[6]H)(COO){1|Cu<4>,1|C<3>,1|H<1>}	C[6](P[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(OC)(O)	116.7680	0.000	1	116.7680	0.000	1	116.7680	0.000	1	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[5a,6]-3:C[6]-3:O-1:	C[6]-3:N-2:O-1:	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(NC[6a])(O)	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO){1|C<3>,1|S<2>,2|O<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(O){1|C<4>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a])(O)	125.8170	0.000	1	125.8170	0.000	1	125.8170	0.000	1	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]H)(N[6]C[6]Co)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCo)(O)	C[6](C[6]C[6,6a]H)(N[6]C[6]Co)(COO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Co<6>,1|H<1>,3|C<3>}	C(C[6]C[6]N[6])(OCo)(O)	122.6450	0.000	1	122.6450	0.000	1	122.5880	0.099	3	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]H)(N[6]C[6]Fe)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OFe)(O)	C[6](C[6]C[6,6a]H)(N[6]C[6]Fe)(COO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Fe<6>,1|H<1>,3|C<3>}	C(C[6]C[6]N[6])(OFe)(O)	122.2490	0.000	1	122.2490	0.000	1	122.5880	0.099	3	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]H)(N[6]C[6]Ni)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ONi)(O)	C[6](C[6]C[6,6a]H)(N[6]C[6]Ni)(COO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Ni<6>,1|H<1>,3|C<3>}	C(C[6]C[6]N[6])(ONi)(O)	122.8700	0.000	1	122.8700	0.000	1	122.5880	0.099	3	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]Cl)(N[6]C[6]Cd)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl)	C(C[6]C[6]N[6])(OCd)(O)	C[6](C[6]C[6]Cl)(N[6]C[6]Cd)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCd)(O)	126.8265	0.301	2	126.8265	0.090	2	128.0410	1.238	6	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl)	C(C[6]C[6]N[6])(OCu)(O)	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl){1|Cu<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCu)(O)	128.1760	0.717	2	128.1760	0.514	2	128.0410	1.238	6	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]Cl)(N[6]C[6]Ni)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl)	C(C[6]C[6]N[6])(ONi)(O)	C[6](C[6]C[6]Cl)(N[6]C[6]Ni)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ONi)(O)	129.1205	0.518	2	129.1205	0.269	2	128.0410	1.238	6	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a])(H)	122.8340	0.363	2	122.8340	0.132	2	123.1646	0.869	14	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NN)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NN)(H)	123.2197	0.996	12	123.2197	0.992	12	123.1646	0.869	14	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OH)(O)	121.2030	0.000	1	121.2030	0.000	1	124.0206	10.100	32	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OC)(O)	124.4427	5.857	3	124.4427	34.308	3	124.0206	10.100	32	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OH)(O)	124.2240	0.000	1	125.4252	5.391	18	124.0206	10.100	32	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OH)(O)	121.7010	0.000	1	125.4252	5.391	18	124.0206	10.100	32	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|P<4>}	C(C[6]C[6]N[6])(OH)(O)	125.9140	0.000	1	125.4252	5.391	18	124.0206	10.100	32	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OH)(O)	125.7950	1.982	10	125.4252	5.391	18	124.0206	10.100	32	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OH)(O)	125.5728	3.133	5	125.4252	5.391	18	124.0206	10.100	32	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OMg)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OMg)(O)	124.7560	1.633	2	124.7560	2.668	2	124.0206	10.100	32	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OH)(O)	121.7660	4.774	2	121.7660	22.795	2	124.0206	10.100	32	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6])(OH)(O)	120.6910	0.000	1	120.6910	0.000	1	124.0206	10.100	32	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OFe)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(OFe)(O)	120.8000	0.000	1	120.8000	0.000	1	124.0206	10.100	32	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6])(OH)(O)	121.0600	0.000	1	121.0600	0.000	1	124.0206	10.100	32	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6])(OH)(O)	120.4865	0.162	2	120.4865	0.026	2	124.0206	10.100	32	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OMn)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(OMn)(O)	119.9060	0.000	1	119.9060	0.000	1	124.0206	10.100	32	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]V)(COS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(SV)(O)	C[6](C[6]C[6]H)(N[6]C[6]V)(COS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<6>}	C(C[6]C[6]N[6])(SV)(O)	119.3650	0.103	2	119.3650	0.011	2	119.3650	0.011	2	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]H)(N[6]C[6]C)(COO)	C[6](C[6]N[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]N[6]H)(N[6]C[6]C)(COO){2|C<4>,2|H<1>}	C[6](C[6]N[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(OC)(O)	120.3050	0.000	1	120.3050	0.000	1	120.3050	0.000	1	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]N[6]H)(N[6]C[6]B)(CHN)	C[6](N[6]B[5]C[6])(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](C[6]N[6]H)(N[6]C[6]B)(CHN){1|B<3>,1|C<3>,1|H<1>}	C[6](N[6]B[5]C[6])(C[6]N[6]C)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	C(C[6]C[6]N[6])(NC[6a])(H)	118.3710	0.000	1	118.3710	0.000	1	118.3710	0.000	1	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]H)(CHN)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C(C[6]N[5,6]C[6])(NC[6a])(H)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]H)(CHN){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<2>}	C(C[6]N[5,6]C[6])(NC[6a])(H)	127.6935	0.035	2	127.6935	0.001	2	127.6935	0.001	2	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:F-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Zn)(C[6]C[6]F)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(F)	C(C[6]C[6]N[6])(OZn)(O)	C[6](N[6]C[6]Zn)(C[6]C[6]F)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(F){1|Zn<6>,1|C<3>,1|F<1>}	C(C[6]C[6]N[6])(OZn)(O)	125.0350	0.257	2	125.0350	0.066	2	125.0350	0.066	2	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(NN)(H)	121.0150	0.000	1	121.0150	0.000	1	120.4754	4.897	30	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a])(H)	119.6290	1.008	2	119.6290	1.017	2	120.4754	4.897	30	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NN)(H)	122.2400	1.266	2	122.2400	1.602	2	120.4754	4.897	30	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pd<4>,2|C<3>}	C(C[6]C[6]N[6])(NN)(H)	115.5535	0.292	2	115.5535	0.085	2	120.4754	4.897	30	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Zn<4>,2|C<3>}	C(C[6]C[6]N[6])(NC)(H)	122.4135	0.069	2	122.4135	0.005	2	120.4754	4.897	30	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NN)(H)	118.6950	0.000	1	118.6950	0.000	1	120.4754	4.897	30	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NN)(H)	116.6670	0.000	1	116.6670	0.000	1	120.4754	4.897	30	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a])(H)	121.5300	0.375	2	121.3740	0.143	3	120.4754	4.897	30	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a])(H)	121.0620	0.000	1	121.3740	0.143	3	120.4754	4.897	30	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NN)(H)	118.6810	0.000	1	118.6810	0.000	1	120.4754	4.897	30	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](N[6]C[6]Ge)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[5])(H)	C[6](N[6]C[6]Ge)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ge<2>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[5])(H)	123.9445	1.101	2	123.9445	1.212	2	120.4754	4.897	30	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a])(H)	121.3403	0.771	3	121.4818	0.445	6	120.4754	4.897	30	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a])(H)	121.6030	0.956	2	121.4818	0.445	6	120.4754	4.897	30	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a])(H)	121.6640	0.000	1	121.4818	0.445	6	120.4754	4.897	30	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[5])(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[5])(H)	121.9005	0.062	2	121.9005	0.004	2	120.4754	4.897	30	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a])(H)	120.2740	0.000	1	120.2740	0.000	1	120.4754	4.897	30	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NN)(H)	118.9465	0.262	2	118.9465	0.069	2	120.4754	4.897	30	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Yb<12>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a])(H)	118.6030	0.000	1	118.6030	0.000	1	120.4754	4.897	30	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NN)(H)	118.0590	0.000	1	118.0590	0.000	1	120.4754	4.897	30	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:O-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NRu)(O)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NRu)(O)	121.5450	0.000	1	121.5450	0.000	1	121.5450	0.000	1	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6]Rh)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ORh)(O)	C[6](N[6]C[6,6]Rh)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Rh<5>,2|C<3>}	C(C[6]C[6]N[6])(ORh)(O)	121.4515	0.282	2	121.4515	0.080	2	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OAg)(O)	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ag<3>,2|C<3>}	C(C[6]C[6]N[6])(OAg)(O)	119.9730	0.000	1	119.9730	0.000	1	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Bi)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OBi)(O)	C[6](N[6]C[6,6a]Bi)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Bi<5>,2|C<3>}	C(C[6]C[6]N[6])(OBi)(O)	120.2615	0.155	2	120.2615	0.024	2	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCo)(O)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<5>,2|C<3>}	C(C[6]C[6]N[6])(OCo)(O)	120.9035	0.661	2	120.7430	0.187	4	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCo)(O)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	C(C[6]C[6]N[6])(OCo)(O)	120.5825	0.145	2	120.7430	0.187	4	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	C(C[6]C[6]N[6])(OC)(O)	116.6660	0.759	2	116.6660	0.577	2	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OFe)(O)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<5>,2|C<3>}	C(C[6]C[6]N[6])(OFe)(O)	120.9235	0.255	2	120.5241	0.285	8	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OFe)(O)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	C(C[6]C[6]N[6])(OFe)(O)	120.3910	0.548	6	120.5241	0.285	8	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OC)(O)	124.0545	0.121	2	124.0545	0.015	2	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OH)(O)	123.3812	0.320	5	123.3812	0.103	5	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OIn)(O)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OIn)(O)	122.2050	0.956	2	122.2050	0.914	2	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OIr)(O)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ir<7>,2|C<3>}	C(C[6]C[6]N[6])(OIr)(O)	129.2310	0.000	1	129.2310	0.000	1	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OIr)(O)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H){1|Ir<6>,2|C<3>}	C(C[6]C[6]N[6])(OIr)(O)	118.9090	0.000	1	118.9090	0.000	1	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Mg)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OMg)(O)	C[6](N[6]C[6,6a]Mg)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mg<6>,2|C<3>}	C(C[6]C[6]N[6])(OMg)(O)	123.3480	0.000	1	123.3480	0.000	1	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OMn)(O)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	C(C[6]C[6]N[6])(OMn)(O)	119.7697	0.681	11	119.7697	0.463	11	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ONi)(O)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	C(C[6]C[6]N[6])(ONi)(O)	120.1300	0.281	4	120.1300	0.079	4	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(OH)(O)	119.8290	0.000	1	119.8290	0.000	1	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OPd)(O)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pd<4>,2|C<3>}	C(C[6]C[6]N[6])(OPd)(O)	129.6690	0.000	1	129.6690	0.000	1	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OPt)(O)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pt<4>,2|C<3>}	C(C[6]C[6]N[6])(OPt)(O)	118.8570	0.000	1	118.8570	0.000	1	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ORe)(O)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(COO){3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	C(C[6]C[6]N[6])(ORe)(O)	119.3813	1.211	3	119.3813	1.467	3	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ORe)(O)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	C(C[6]C[6]N[6])(ORe)(O)	120.2760	2.210	2	120.2760	4.886	2	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ORe)(O)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	C(C[6]C[6]N[6])(ORe)(O)	120.6430	0.000	1	120.6430	0.000	1	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ORu)(O)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ru<10>,2|C<3>}	C(C[6]C[6]N[6])(ORu)(O)	118.8103	0.308	6	118.8103	0.095	6	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OSn)(O)	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Sn<5>,2|C<3>}	C(C[6]C[6]N[6])(OSn)(O)	121.1455	0.136	2	120.4158	0.469	5	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OSn)(O)	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Sn<6>,2|C<3>}	C(C[6]C[6]N[6])(OSn)(O)	119.9293	0.202	3	120.4158	0.469	5	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OZn)(O)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Zn<5>,2|C<3>}	C(C[6]C[6]N[6])(OZn)(O)	120.7558	0.644	21	120.3886	0.711	29	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OZn)(O)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Zn<6>,2|C<3>}	C(C[6]C[6]N[6])(OZn)(O)	119.4246	0.442	8	120.3886	0.711	29	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Al)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OAl)(O)	C[6](N[6]C[6]Al)(C[6]C[6]H)(COO){3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Al<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OAl)(O)	129.3420	0.785	2	129.3420	0.616	2	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Al)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OAl)(O)	C[6](N[6]C[6]Al)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OAl)(O)	130.0007	0.444	4	130.0007	0.197	4	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ca)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCa)(O)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ca<9>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCa)(O)	122.3150	0.335	3	122.3150	0.112	3	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCd)(O)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCd)(O)	123.0785	0.249	4	122.8254	1.138	31	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCd)(O)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCd)(O)	121.7163	0.389	4	122.8254	1.138	31	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCd)(O)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,2|C<3>}	C(C[6]C[6]N[6])(OCd)(O)	121.6466	1.235	5	122.8254	1.138	31	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCd)(O)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCd)(O)	122.9928	0.639	4	122.8254	1.138	31	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCd)(O)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCd)(O)	123.4432	0.812	14	122.8254	1.138	31	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCd)(O)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCd)(O)	122.6647	0.537	4	122.6647	0.288	4	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCo)(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCo)(O)	121.4410	0.000	1	124.9870	4.002	5	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCo)(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCo)(O)	125.8735	0.312	4	124.9870	4.002	5	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCo)(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCo)(O)	123.0290	0.000	1	125.0247	4.266	83	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCo)(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(OCo)(O)	122.1260	0.000	1	125.0247	4.266	83	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCo)(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCo)(O)	123.0586	1.416	16	125.0247	4.266	83	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCo)(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	C(C[6]C[6]N[6])(OCo)(O)	122.1644	1.290	8	125.0247	4.266	83	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCo)(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCo)(O)	124.2270	0.000	1	125.0247	4.266	83	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCo)(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCo)(O)	121.2940	0.000	1	125.0247	4.266	83	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCo)(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCo)(O)	126.1841	1.217	55	125.0247	4.266	83	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OH)(O)	117.5700	0.000	1	117.5700	0.000	1	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCo)(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCo)(O)	125.0430	0.130	2	125.0430	0.017	2	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]N[6])(OCo)(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|N<2>,2|H<1>}	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>}	C(C[6]C[6]N[6])(OCo)(O)	123.9970	0.000	1	123.9970	0.000	1	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCr)(O)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCr)(O)	127.9850	0.000	1	127.9987	3.063	16	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCr)(O)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCr)(O)	123.6025	0.012	2	127.9987	3.063	16	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCr)(O)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCr)(O)	128.6761	0.333	13	127.9987	3.063	16	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(COO)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCr)(O)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCr)(O)	128.0826	0.426	8	128.0826	0.182	8	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCu)(O)	123.7530	0.000	1	124.4930	0.463	3	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCu)(O)	124.8630	0.322	2	124.4930	0.463	3	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OC)(O)	120.0922	2.003	4	120.0922	4.012	4	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCu)(O)	123.2142	0.232	4	126.1475	3.955	78	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCu)(O)	124.0097	0.524	3	126.1475	3.955	78	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCu)(O)	124.9805	0.284	2	126.1475	3.955	78	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(OCu)(O)	124.7050	0.000	1	126.1475	3.955	78	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCu)(O)	124.3190	0.000	1	126.1475	3.955	78	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCu)(O)	123.1937	0.450	3	126.1475	3.955	78	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	C(C[6]C[6]N[6])(OCu)(O)	123.9257	0.374	4	126.1475	3.955	78	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCu)(O)	123.3790	0.621	2	126.1475	3.955	78	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCu)(O)	128.2997	0.562	31	126.1475	3.955	78	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCu)(O)	125.4186	0.822	27	126.1475	3.955	78	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCu)(O)	127.3680	1.636	2	125.1658	3.942	6	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCu)(O)	124.0648	0.910	4	125.1658	3.942	6	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OFe)(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OFe)(O)	124.2060	0.000	1	127.5045	2.805	82	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OFe)(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OFe)(O)	122.7495	0.305	6	127.5045	2.805	82	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OFe)(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	C(C[6]C[6]N[6])(OFe)(O)	123.1490	1.010	2	127.5045	2.805	82	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OFe)(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OFe)(O)	128.0599	0.510	73	127.5045	2.805	82	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COO)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OFe)(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OFe)(O)	127.3005	0.312	6	127.3005	0.097	6	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OIr)(O)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OIr)(O)	122.3605	0.108	2	122.3605	0.012	2	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OH)(O)	118.9980	0.000	1	118.9980	0.000	1	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OIr)(O)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OIr)(O)	122.4648	0.777	24	122.7770	2.503	28	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OIr)(O)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OIr)(O)	122.7870	0.000	1	122.7770	2.503	28	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OIr)(O)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OIr)(O)	127.6010	0.371	2	122.7770	2.503	28	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OIr)(O)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OIr)(O)	120.6110	0.000	1	122.7770	2.503	28	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OIr)(O)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OIr)(O)	120.3747	0.866	3	120.3747	0.751	3	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Mg)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OMg)(O)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Mg<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OMg)(O)	120.6400	0.000	1	120.6400	0.000	1	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Mg)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OMg)(O)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OMg)(O)	126.0875	0.340	2	126.0875	0.116	2	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Mg)(C[6]C[6]H)(COO)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(OMg)(O)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]N[6]C)2(H){1|Mg<6>,1|C<3>}	C(C[6]C[6]N[6])(OMg)(O)	121.9840	0.000	1	121.9840	0.000	1	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OMn)(O)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OMn)(O)	122.3290	0.000	1	122.3290	0.000	1	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OMn)(O)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OMn)(O)	124.6485	0.786	2	124.2190	2.721	35	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OMn)(O)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OMn)(O)	122.3252	0.379	6	124.2190	2.721	35	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OMn)(O)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	C(C[6]C[6]N[6])(OMn)(O)	121.8500	0.871	4	124.2190	2.721	35	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OMn)(O)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OMn)(O)	125.1312	1.189	20	124.2190	2.721	35	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OMn)(O)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OMn)(O)	124.7977	0.186	3	124.2190	2.721	35	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OMn)(O)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Mn<6>,1|H<1>,3|C<3>}	C(C[6]C[6]N[6])(OMn)(O)	121.9660	0.000	1	121.9660	0.000	1	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OMo)(O)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OMo)(O)	123.4585	0.155	2	123.5597	0.043	3	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OMo)(O)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OMo)(O)	123.7620	0.000	1	123.5597	0.043	3	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ONi)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO){3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ONi)(O)	126.0145	0.287	4	126.0145	0.082	4	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ONi)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ONi)(O)	124.1365	0.087	2	125.9714	2.251	115	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ONi)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ONi)(O)	125.8630	0.144	2	125.9714	2.251	115	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ONi)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ONi)(O)	122.1333	0.485	4	125.9714	2.251	115	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ONi)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	C(C[6]C[6]N[6])(ONi)(O)	122.6877	0.554	10	125.9714	2.251	115	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ONi)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ONi)(O)	128.3840	0.595	2	125.9714	2.251	115	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ONi)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ONi)(O)	126.4688	0.685	95	125.9714	2.251	115	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ONi)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ONi)(O)	125.6605	0.835	2	125.6605	0.697	2	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ONi)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Ni<6>,1|H<1>,3|C<3>}	C(C[6]C[6]N[6])(ONi)(O)	124.4110	0.000	1	124.4110	0.000	1	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Os)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OOs)(O)	C[6](N[6]C[6]Os)(C[6]C[6]H)(COO){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<9>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OOs)(O)	120.6710	0.000	1	122.2383	1.843	3	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Os)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OOs)(O)	C[6](N[6]C[6]Os)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<9>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OOs)(O)	123.0220	0.021	2	122.2383	1.843	3	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OPd)(O)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OPd)(O)	124.6630	0.000	1	124.8320	7.046	6	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OPd)(O)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OPd)(O)	122.6645	1.877	2	124.8320	7.046	6	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OPd)(O)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OPd)(O)	123.1190	0.000	1	124.8320	7.046	6	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OPd)(O)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OPd)(O)	127.9405	0.142	2	124.8320	7.046	6	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OPt)(O)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OPt)(O)	120.5020	0.000	1	120.5020	0.000	1	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OH)(O)	119.1280	0.000	1	119.1280	0.000	1	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OPt)(O)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OPt)(O)	121.8621	0.887	15	122.7337	4.639	23	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OPt)(O)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OPt)(O)	123.9280	0.643	4	122.7337	4.639	23	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OPt)(O)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OPt)(O)	124.8083	4.300	4	122.7337	4.639	23	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ORe)(O)	C[6](N[6]C[6]Re)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ORe)(O)	122.6437	0.380	6	122.6437	0.144	6	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ORe)(O)	C[6](N[6]C[6]Re)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ORe)(O)	122.4721	0.468	7	122.4119	0.217	8	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ORe)(O)	C[6](N[6]C[6]Re)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	C(C[6]C[6]N[6])(ORe)(O)	121.9900	0.000	1	122.4119	0.217	8	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ORh)(O)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ORh)(O)	122.0430	0.000	1	122.0430	0.000	1	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OC)(O)	117.3710	2.145	2	117.3710	4.603	2	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ORu)(O)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ORu)(O)	122.0470	0.204	2	124.9525	9.290	8	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ORu)(O)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ORu)(O)	122.5930	0.096	2	124.9525	9.290	8	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ORu)(O)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ORu)(O)	127.5850	1.755	4	124.9525	9.290	8	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(COO)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ORu)(O)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ORu)(O)	126.6188	0.351	4	126.6188	0.123	4	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Sb)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OSb)(O)	C[6](N[6]C[6]Sb)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sb<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OSb)(O)	125.5575	0.226	2	125.5575	0.051	2	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Sn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OSn)(O)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OSn)(O)	122.5150	0.349	4	123.7103	2.391	7	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Sn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OSn)(O)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OSn)(O)	125.3040	0.569	3	123.7103	2.391	7	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Sr)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OSr)(O)	C[6](N[6]C[6]Sr)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sr<9>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OSr)(O)	121.7580	0.745	4	121.7580	0.556	4	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OZn)(O)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OZn)(O)	121.0072	0.147	4	122.0812	0.615	19	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OZn)(O)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<2>,1|C<3>}	C(C[6]C[6]N[6])(OZn)(O)	122.2605	0.118	2	122.0812	0.615	19	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OZn)(O)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(OZn)(O)	123.0320	0.345	2	122.0812	0.615	19	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OZn)(O)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|F<1>}	C(C[6]C[6]N[6])(OZn)(O)	122.7050	0.000	1	122.0812	0.615	19	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OZn)(O)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,2|C<3>}	C(C[6]C[6]N[6])(OZn)(O)	122.5420	1.461	2	122.0812	0.615	19	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OZn)(O)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<2>,1|C<3>}	C(C[6]C[6]N[6])(OZn)(O)	121.8996	0.124	5	122.0812	0.615	19	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OZn)(O)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(OZn)(O)	123.0430	0.000	1	122.0812	0.615	19	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OZn)(O)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,2|C<3>}	C(C[6]C[6]N[6])(OZn)(O)	122.2995	0.441	2	122.0812	0.615	19	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OZn)(O)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Zn<6>,1|H<1>,3|C<3>}	C(C[6]C[6]N[6])(OZn)(O)	123.6755	2.146	2	123.6755	4.606	2	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]N[6]Ca)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCa)(O)	C[6](N[6]N[6]Ca)(C[6]C[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ca<8>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(OCa)(O)	121.6140	0.000	1	121.6140	0.000	1	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]N[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCo)(O)	C[6](N[6]N[6]Co)(C[6]C[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(OCo)(O)	123.8480	0.000	1	123.7513	0.676	3	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]N[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCo)(O)	C[6](N[6]N[6]Co)(C[6]C[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|N<3>}	C(C[6]C[6]N[6])(OCo)(O)	123.7030	1.157	2	123.7513	0.676	3	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]N[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCu)(O)	C[6](N[6]N[6]Cu)(C[6]C[6]H)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|N<3>}	C(C[6]C[6]N[6])(OCu)(O)	123.1635	0.057	2	123.1635	0.003	2	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]N[6]Li)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OLi)(O)	C[6](N[6]N[6]Li)(C[6]C[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(OLi)(O)	122.7660	0.000	1	122.6552	0.255	4	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]N[6]Li)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OLi)(O)	C[6](N[6]N[6]Li)(C[6]C[6]H)(COO){1|Li<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<5>,1|C<3>,1|N<3>}	C(C[6]C[6]N[6])(OLi)(O)	122.6183	0.611	3	122.6552	0.255	4	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]N[6]Mg)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OMg)(O)	C[6](N[6]N[6]Mg)(C[6]C[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<6>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(OMg)(O)	123.0760	0.000	1	123.0760	0.000	1	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]N[6]Mn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OMn)(O)	C[6](N[6]N[6]Mn)(C[6]C[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|N<3>}	C(C[6]C[6]N[6])(OMn)(O)	123.1599	0.732	7	123.1599	0.535	7	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]N[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ONi)(O)	C[6](N[6]N[6]Ni)(C[6]C[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|N<2>,1|O<2>}	C(C[6]C[6]N[6])(ONi)(O)	121.8260	0.000	1	121.8260	0.000	1	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]N[6]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OZn)(O)	C[6](N[6]N[6]Zn)(C[6]C[6]H)(COO){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|N<3>}	C(C[6]C[6]N[6])(OZn)(O)	122.3775	1.003	2	122.3775	1.007	2	124.5024	8.270	752	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-2:O-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(SFe)(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COS){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(SFe)(O)	118.8120	0.000	1	118.8120	0.000	1	121.3685	1.576	6	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-2:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(SNi)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(SNi)(O)	121.8798	0.098	5	121.8798	0.010	5	121.3685	1.576	6	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Co)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Re)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCo)(O)	C[6](N[6]C[6]Co)(C[6]N[6]H)(COO){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCo)(O)	120.9580	0.000	1	120.9580	0.000	1	122.2450	0.977	4	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cu)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Cu)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCu)(O)	C[6](N[6]C[6]Cu)(C[6]N[6]H)(COO){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]N[6]C)(H){1|Cu<6>,2|C<3>}	C(C[6]C[6]N[6])(OCu)(O)	122.4560	0.000	1	122.4560	0.000	1	122.2450	0.977	4	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ru)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Ru)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ORu)(O)	C[6](N[6]C[6]Ru)(C[6]N[6]H)(COO){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]N[6]C)(H){1|Ru<9>,2|C<3>}	C(C[6]C[6]N[6])(ORu)(O)	123.3530	0.000	1	123.3530	0.000	1	122.2450	0.977	4	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Zn)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Zn)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OZn)(O)	C[6](N[6]C[6]Zn)(C[6]N[6]H)(COO){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]N[6]C)(H){1|Zn<6>,2|C<3>}	C(C[6]C[6]N[6])(OZn)(O)	122.2130	0.000	1	122.2130	0.000	1	122.2450	0.977	4	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:1:	O[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](O[6]C[6]Ca)(C[6]C[6]H)(COO)	C[6](C[6]C[6]O)(C[6]O[6]C)(H)	C(C[6]C[6]O[6])(OCa)(O)	C[6](O[6]C[6]Ca)(C[6]C[6]H)(COO){1|O<1>,2|C<3>}	C[6](C[6]C[6]O)(C[6]O[6]C)(H){1|Ca<8>,1|C<3>,1|H<1>}	C(C[6]C[6]O[6])(OCa)(O)	126.4380	0.536	2	126.4380	0.287	2	126.4380	0.287	2	121.8161	10.298	2186	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	C(C[6]C[6,6a]C[6])(CN)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C(C[6]C[6,6a]C[6])(CN)2	118.3870	0.274	2	118.3870	0.075	2	118.8010	0.309	4	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC)	C[6](C[6]C[6,6a]C)(C[6]O[6]C)(H)	C(C[6]C[6,6a]C[6])(CN)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]O[6]C)(H){2|C<3>}	C(C[6]C[6,6a]C[6])(CN)2	119.5020	0.000	1	119.5020	0.000	1	118.8010	0.309	4	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC)	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]C)(H)	C(C[6]C[6,6a]C[6])(CN)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]C)(H){4|C<3>}	C(C[6]C[6,6a]C[6])(CN)2	118.9280	0.000	1	118.9280	0.000	1	118.8010	0.309	4	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:C-2:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CN)2	C[6](C[6]C[6]H)2(CCC){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(CN)2	121.1610	0.182	2	121.1610	0.033	2	122.1306	0.285	29	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:C-2:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(CN)2	C[6](C[6]C[6]H)2(CCC){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CN)2	122.4540	0.000	1	122.1961	0.284	12	122.1306	0.285	29	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:C-2:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(CN)2	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CN)2	122.1745	1.165	2	122.1961	0.284	12	122.1306	0.285	29	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:C-2:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(CN)2	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CN)2	122.1722	0.460	9	122.1961	0.284	12	122.1306	0.285	29	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:C-2:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C(C[6]C[6]2)(CN)2	C[6](C[6]C[6]H)2(CCC){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CN)2	122.1160	0.346	2	122.2073	0.252	12	122.1306	0.285	29	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:C-2:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C(C[6]C[6]2)(CN)2	C[6](C[6]C[6]H)2(CCC){1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CN)2	122.2375	0.350	6	122.2073	0.252	12	122.1306	0.285	29	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:C-2:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C(C[6]C[6]2)(CN)2	C[6](C[6]C[6]H)2(CCC){1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CN)2	122.2075	0.820	4	122.2073	0.252	12	122.1306	0.285	29	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:C-2:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CN)2	C[6](C[6]C[6]H)2(CCC){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(CN)2	122.3470	0.000	1	122.3470	0.000	1	122.1306	0.285	29	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:C-2:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6a]O[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CN)2	C[6](C[6]C[6]H)2(CCC){1|O<2>,2|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C(C[6]C[6]2)(CN)2	122.1390	0.106	2	122.1390	0.011	2	122.1306	0.285	29	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:N-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OMo)(NN)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OMo)(NN)	122.7120	0.000	1	122.7120	0.000	1	120.6218	1.573	19	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:N-2:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OMo)(NN)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OMo)(NN)	120.4833	0.928	14	120.4833	0.861	14	120.6218	1.573	19	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:N-2:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(OZn)(NN)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OZn)(NN)	120.5842	2.038	4	120.5842	4.155	4	120.6218	1.573	19	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OCu)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OCu)2	122.1930	0.000	1	122.1930	0.000	1	120.5222	4.341	4	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OMg)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OMg)2	122.3580	0.000	1	122.3580	0.000	1	120.5222	4.341	4	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OFe)2	C[6](C[6]C[6]H)2(COO){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OFe)2	118.7690	0.844	2	118.7690	0.713	2	120.5222	4.341	4	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-2:S-2:	C[6](C[6]C[6]H)(C[6]N[6]O)(CSS)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(SC)2	C[6](C[6]C[6]H)(C[6]N[6]O)(CSS){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|O<1>}	C(C[6]C[6]2)(SC)2	122.1560	0.000	1	122.1560	0.000	1	122.1560	0.000	1	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:N-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(OMo)(NN)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OMo)(NN)	118.9580	0.000	1	118.9580	0.000	1	118.9580	0.000	1	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:S-2:S-2:	C[6](C[6]C[6]H)(C[6]N[6]O)(CSS)	C[6](C[6]C[6]C)(N[6]C[6]2)(O)	C(C[6]C[6]2)(SC)2	C[6](C[6]C[6]H)(C[6]N[6]O)(CSS){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]2)(O){1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6]2)(SC)2	120.0490	0.000	1	120.0490	0.000	1	120.0490	0.000	1	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OCu)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OCu)2	119.5610	0.000	1	119.5610	0.000	1	119.3350	0.102	2	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OMg)2	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OMg)2	119.1090	0.000	1	119.1090	0.000	1	119.3350	0.102	2	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:N-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OFe)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OFe)(NN)	124.7315	0.869	2	124.7315	0.755	2	124.7315	0.755	2	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OMn)2	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OMn)2	123.8180	0.000	1	123.8180	0.000	1	123.8180	0.000	1	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:O-2:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6])(OCo)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6])(OCo)	125.7320	0.266	2	125.7320	0.071	2	125.5555	1.308	6	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:O-2:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6])(OFe)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6])(OFe)	123.3440	0.000	1	124.6325	3.320	2	125.5555	1.308	6	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:O-2:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6])(OFe)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6])(OFe)	125.9210	0.000	1	124.6325	3.320	2	125.5555	1.308	6	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:O-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6])(ONi)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6])(ONi)	126.3020	0.519	2	126.3020	0.269	2	125.5555	1.308	6	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:S-2:	C[6](N[6]C[6]Au)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a])(SAu)	C[6](N[6]C[6]Au)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Au<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a])(SAu)	121.8010	0.325	2	121.8010	0.106	2	121.1663	0.907	34	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:S-2:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a])(SFe)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a])(SFe)	121.4410	0.000	1	121.2990	0.067	5	121.1663	0.907	34	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:S-2:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a])(SFe)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a])(SFe)	121.1530	0.257	2	121.2990	0.067	5	121.1663	0.907	34	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:S-2:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a])(SFe)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a])(SFe)	121.3740	0.355	2	121.2990	0.067	5	121.1663	0.907	34	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:S-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a])(SNi)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a])(SNi)	120.8050	0.000	1	120.8050	0.000	1	121.1663	0.907	34	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:S-2:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a])(SPd)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a])(SPd)	120.6937	0.455	4	120.7562	0.175	5	121.1663	0.907	34	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:S-2:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a])(SPd)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a])(SPd)	121.0060	0.000	1	120.7562	0.175	5	121.1663	0.907	34	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:S-2:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a])(SPt)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a])(SPt)	121.4741	1.320	12	121.4741	1.741	12	121.1663	0.907	34	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:S-2:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a])(SRu)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a])(SRu)	120.1813	0.567	3	120.8091	0.693	9	121.1663	0.907	34	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:S-2:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a])(SRu)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a])(SRu)	121.1230	0.791	6	120.8091	0.693	9	121.1663	0.907	34	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:N-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ONi)(NC)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ONi)(NC)	128.8140	0.000	1	128.8140	0.000	1	125.1740	4.058	6	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:N-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ONi)(NH)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ONi)(NH)	125.4920	0.000	1	125.4920	0.000	1	125.1740	4.058	6	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:N-2:	C[6](N[6]C[6]Os)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OOs)(NC)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OOs)(NC)	124.7900	0.000	1	124.7900	0.000	1	125.1740	4.058	6	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:N-2:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ORu)(NC)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ORu)(NC)	125.2550	0.000	1	125.2550	0.000	1	125.1740	4.058	6	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:N-2:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ORu)(NP)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ORu)(NP)	123.3465	0.323	2	123.3465	0.104	2	125.1740	4.058	6	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OFe)2	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	C(C[6]C[6]N[6])(OFe)2	120.5720	0.000	1	120.5720	0.000	1	125.7817	8.284	18	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCo)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCo)2	124.9730	0.000	1	124.9730	0.000	1	125.7817	8.284	18	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCu)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCu)2	124.7980	0.000	1	124.7980	0.000	1	125.7817	8.284	18	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OFe)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OFe)2	128.7774	0.757	5	128.7774	0.573	5	125.7817	8.284	18	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OMn)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OMn)2	125.1620	0.000	1	125.1620	0.000	1	125.7817	8.284	18	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ONi)(OH)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ONi)(OH)	126.7780	0.000	1	127.0520	0.065	4	125.7817	8.284	18	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ONi)(OH)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ONi)(OH)	127.1433	0.218	3	127.0520	0.065	4	125.7817	8.284	18	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ONi)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ONi)2	122.1090	0.000	1	124.5507	4.471	3	125.7817	8.284	18	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ONi)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ONi)2	125.7715	0.009	2	124.5507	4.471	3	125.7817	8.284	18	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OZn)(OC)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OZn)(OC)	121.4090	2.476	2	121.4090	6.132	2	125.7817	8.284	18	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-2:N-2:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(SPd)(NC)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(SPd)(NC)	121.4603	0.772	4	121.4603	0.596	4	120.7647	1.137	7	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-2:N-2:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(SRu)(NC)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(SRu)(NC)	119.8373	0.508	3	119.8373	0.258	3	120.7647	1.137	7	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:2:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:O-1:	C[6]-3:O-2:N-2:	C[6](N[6]C[6,6a]Li)(C[6]N[6]O)(CNO)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(OLi)(NC)	C[6](N[6]C[6,6a]Li)(C[6]N[6]O)(CNO){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(O){1|Li<5>,2|C<3>}	C(C[6]C[6]N[6])(OLi)(NC)	121.0810	0.000	1	121.0810	0.000	1	121.0810	0.000	1	122.1952	6.007	136	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:3:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:N-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[5])(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[5])(NHH)	125.6260	0.000	1	125.6260	0.000	1	125.6260	0.000	1	121.4850	12.935	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:S-3:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a])(SRu2)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a])(SRu2)	119.4145	0.385	2	119.4145	0.149	2	119.4145	0.149	2	121.4850	12.935	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[3x6]N[6])(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6])(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[3x6]N[6])(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,3|C<4>}	C(C[6]C[6]N[6])(NC[6])(CH3)	118.9400	0.000	1	118.9400	0.000	1	120.5718	16.286	10	120.5718	16.286	10	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:C-4:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a])(CH3)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ga<3>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a])(CH3)	125.1068	0.483	4	125.1068	0.234	4	120.5718	16.286	10	120.5718	16.286	10	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:C-4:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a])(CH3)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a])(CH3)	117.3775	1.439	4	117.3775	2.072	4	120.5718	16.286	10	120.5718	16.286	10	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:2:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:C-4:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a])(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a])(CH3)	116.8410	0.000	1	116.8410	0.000	1	120.5718	16.286	10	120.5718	16.286	10	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]H)(CCH)	C[6](C[6]C[4x6]H)(C[6]C[5,6]C)(H)	C(C[6]C[5,6]C[6])(CCO)(H)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[4x6]H)(C[6]C[5,6]C)(H){2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6])(CCO)(H)	119.0820	0.000	1	119.8087	0.453	3	119.8087	0.453	3	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]H)(CCH)	C[6](C[6]C[4x6]H)(C[6]C[5,6]C)(H)	C(C[6]C[5,6]C[6])(CCO)(H)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]H)(CCH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[4x6]H)(C[6]C[5,6]C)(H){2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6])(CCO)(H)	120.1720	0.338	2	119.8087	0.453	3	119.8087	0.453	3	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-1:	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[5,6]C)(C[6]C[6]N)(H)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(CC[6a]O){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,2|N<3>}	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	124.7290	0.000	1	124.7290	0.000	1	124.7290	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[5a,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]O)(CCH)	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(O)	C(C[6]C[5a,6]C[6])(CCH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]O)(CCH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C(C[6]C[5a,6]C[6])(CCH)(H)	114.6200	0.829	2	114.6200	0.687	2	114.6200	0.687	2	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)(H)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(CC[6a]O){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	119.3770	0.000	1	119.3770	0.000	1	119.3770	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]C)(C[6]C[5,6]H)(H)	C(C[6]C[6,6a]C[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C)(C[6]C[5,6]H)(H){4|C<3>}	C(C[6]C[6,6a]C[6])(COO)(H)	121.8160	0.000	1	121.8160	0.000	1	122.0117	0.586	10	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C(C[6]C[6,6a]C[6])(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C(C[6]C[6,6a]C[6])(CCH)(H)	122.2270	0.000	1	122.2270	0.000	1	122.0117	0.586	10	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C(C[6]C[6,6a]C[6])(CC[5]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C(C[6]C[6,6a]C[6])(CC[5]H)(H)	122.3000	0.000	1	122.3000	0.000	1	122.0117	0.586	10	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C(C[6]C[6,6a]C[6])(CC[5a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C(C[6]C[6,6a]C[6])(CC[5a]H)(H)	121.9900	0.000	1	121.9900	0.000	1	122.0117	0.586	10	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C(C[6]C[6,6a]C[6])(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C(C[6]C[6,6a]C[6])(CC[6a]H)(H)	121.7212	0.481	4	121.7212	0.231	4	122.0117	0.586	10	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]C)(C[6]O[6]C)(H)	C(C[6]C[6,6a]C[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](C[6]C[6,6a]C)(C[6]O[6]C)(H){2|C<3>}	C(C[6]C[6,6a]C[6])(COO)(H)	123.8080	0.000	1	123.8080	0.000	1	122.0117	0.586	10	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]C)(H)	C(C[6]C[6,6a]C[6])(CC[6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]C)(H){4|C<3>}	C(C[6]C[6,6a]C[6])(CC[6a]C)(H)	121.0910	0.000	1	121.0910	0.000	1	122.0117	0.586	10	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6,6a]C)(C[6]O[6]C)(H)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]O){2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]O[6]C)(H){2|C<3>}	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	116.4690	0.000	1	116.4690	0.000	1	116.4690	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CNO)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H)	C(C[6]C[6,6a]C[6])(NCC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CNO){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H){1|Pt<4>,4|C<3>}	C(C[6]C[6,6a]C[6])(NCC)(O)	117.5910	0.000	1	117.5910	0.000	1	117.5910	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]O)(CCH)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O)	C(C[6]C[6,6a]C[6])(CCH)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]O)(CCH){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(CCH)(H)	120.7920	0.000	1	120.7920	0.000	1	117.4933	8.177	3	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(CCH)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O)	C(C[6]C[6,6a]C[6])(CCH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(CCH){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(CCH)(H)	115.8440	0.177	2	115.8440	0.031	2	117.4933	8.177	3	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O)	C(C[6]C[6,6a]C[6])(NCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(NCH)(H)	118.9108	0.475	18	118.9108	0.225	18	119.0060	0.538	66	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O)	C(C[6]C[6,6a]C[6])(NC[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(NC[6]H)(H)	119.0655	0.019	2	119.0655	0.000	2	119.0060	0.538	66	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	119.2594	0.444	39	119.2594	0.197	39	119.0060	0.538	66	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(O)	C(C[6]C[6,6a]C[6])(NCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(O){1|C<4>,2|C<3>}	C(C[6]C[6,6a]C[6])(NCH)(H)	116.7445	0.021	2	116.7445	0.000	2	119.0060	0.538	66	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(O)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(O){3|C<3>}	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	118.7790	0.075	2	117.8555	1.596	4	119.0060	0.538	66	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(O)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(O){1|C<4>,2|C<3>}	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	116.9320	1.171	2	117.8555	1.596	4	119.0060	0.538	66	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	C[6](C[6]C[6,6a]C)(C[6]C[6]Si)(O)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){1|Si<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]Si)(O){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	119.8450	0.000	1	119.8450	0.000	1	119.0060	0.538	66	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCH)	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(H)	C(C[6]C[6,6a]C[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCH){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(H){1|S<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(COO)(H)	126.2240	0.000	1	126.2240	0.000	1	123.5610	14.183	2	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCH)	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)	C(C[6]C[6,6a]C[6])(CC[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(CC[6a]2)(H)	120.8980	0.000	1	120.8980	0.000	1	123.5610	14.183	2	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CC[5]H)(H)	123.7570	0.000	1	123.7570	0.000	1	120.5064	4.320	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(CC[5]H)(H)	118.4230	0.000	1	118.4230	0.000	1	120.5064	4.320	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(CC[6a]H)(H)	120.3118	1.738	6	120.3118	3.021	6	120.5064	4.320	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	119.4490	0.000	1	119.4490	0.000	1	119.4490	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCuN)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(CHN){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(NCuN)(H)	118.7930	0.000	1	118.7930	0.000	1	118.7930	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CNO)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CNO){1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[6]C[6]2)(NCH)(O)	119.2270	0.000	1	119.2270	0.000	1	116.9591	6.957	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CNO){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6]2)(NC[6a]H)(O)	118.0080	0.000	1	118.0080	0.000	1	116.9591	6.957	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(NHN)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CNO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6]2)(NHN)(O)	110.7330	0.000	1	110.7330	0.000	1	116.9591	6.957	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CNO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(NC[6a]H)(O)	116.5190	0.000	1	116.5190	0.000	1	116.9591	6.957	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CNO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(NHH)(O)	117.7965	0.481	4	117.7965	0.231	4	116.9591	6.957	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N-3:S-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CNS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(NHH)(S)	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CNS){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(NHH)(S)	119.9920	0.000	1	119.9920	0.000	1	119.9920	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CC[6a]O){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	122.0440	0.120	2	122.0440	0.014	2	122.0440	0.014	2	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(CC[5a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	C(CC[5a]C[6a])(C[6]C[6]2)(H)	116.0720	0.000	1	116.0720	0.000	1	116.0720	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCH){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C(C[6]C[6]2)(CCH)(H)	117.5180	0.000	1	117.5180	0.000	1	117.5180	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(CCH)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(CCH)(O)	119.5620	0.000	1	119.5620	0.000	1	119.5620	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6]2)(NC[6a]H)(H)	120.6257	0.322	3	120.6257	0.103	3	120.0426	4.963	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(NC[6a]Pd)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6]2)(NC[6a]Pd)(H)	115.5230	0.000	1	115.5230	0.000	1	120.0426	4.963	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(NCH)(H)	122.3920	0.000	1	122.3920	0.000	1	120.0426	4.963	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(NC[5a]H)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(NC[5a]H)(H)	121.4840	0.000	1	121.4840	0.000	1	120.0426	4.963	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(NC[6a]H)(H)	117.9560	0.000	1	117.9560	0.000	1	120.0426	4.963	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(NHN)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(NHN)(H)	121.1090	0.000	1	121.1090	0.000	1	120.0426	4.963	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CC[6a]O){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	114.1740	0.000	1	114.1740	0.000	1	114.1740	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]Br)(CCH)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(Br)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]Br)(CCH){1|Pd<7>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(Br){1|Pd<7>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(CC[6a]H)(H)	122.2345	0.262	2	122.2345	0.069	2	122.2345	0.069	2	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]Br)(C[6]C[6]C)(Br)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CHN){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(Br){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NCH)(H)	121.0560	0.000	1	121.0560	0.000	1	121.0560	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]O)(Cl)	C(C[6]C[6]2)(CHN)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CCH){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C(C[6]C[6]2)(CHN)(H)	122.0800	0.000	1	122.0800	0.000	1	122.0800	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[3]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[3]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[3]N[3]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)2(CC[3]H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C(C[3]N[3]2)(C[6]C[6]2)(H)	120.9340	0.000	1	120.9340	0.000	1	120.9340	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]H)	C[6](C[6]C[6]C)2(H)	C(C[5]C[5]N[5])(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]H){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<4>,2|O<1>}	C(C[5]C[5]N[5])(C[6]C[6]2)(H)	128.7060	0.000	1	128.7060	0.000	1	128.7060	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]H)	C[6](C[6]C[6]C)2(H)	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]H){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<4>,2|O<1>}	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	130.3860	0.000	1	130.3860	0.000	1	130.3860	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:Br-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CBrC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a]Br)(Br)	C[6](C[6]C[6]H)(C[6]N[6]H)(CBrC){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]Br)(Br)	123.7670	0.000	2	123.7670	0.000	2	122.4950	2.480	4	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:Br-1:	C[6](C[6]C[6]H)2(CBrC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(Br)	C[6](C[6]C[6]H)2(CBrC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(Br)	121.2230	0.984	2	121.2230	0.969	2	122.4950	2.480	4	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH){1|Cr<9>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H){1|Cr<9>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(CC[6]H)(H)	123.2270	0.000	1	123.2270	0.000	1	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH){1|Cr<9>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H){1|Cr<9>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(CC[6a]H)(H)	122.0300	0.141	2	122.0300	0.020	2	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH)	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CC[5]H)(H)	121.6565	3.857	2	121.6565	14.879	2	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH)	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	122.7365	1.780	6	122.7365	3.170	6	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCH){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CCH)(H)	124.0030	0.000	1	124.0030	0.000	1	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCH){1|C<4>,2|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<2>,1|C<3>,1|C<4>}	C(C[6]C[6]2)(CCO)(H)	125.3000	0.000	1	125.3000	0.000	1	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCH){1|Ru<8>,1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CC[6a]2)(H)	119.7265	0.291	2	119.7265	0.084	2	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]2)(CC[6a]H)(H)	117.7990	0.000	1	117.7990	0.000	1	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(CC[5]H)(H)	117.3200	0.000	1	119.6377	14.465	3	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(CC[5]H)(H)	117.5660	0.000	1	119.6377	14.465	3	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH){1|C<3>,2|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(CC[5]H)(H)	124.0270	0.000	1	119.6377	14.465	3	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CCH)(H)	119.5500	0.000	1	123.7740	5.631	5	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CCH)(H)	124.6980	0.109	2	123.7740	5.631	5	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CCH)(H)	124.9620	0.373	2	123.7740	5.631	5	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	123.8320	0.000	1	123.5351	1.106	17	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	123.8420	0.000	1	123.5351	1.106	17	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	123.4135	0.506	2	123.5351	1.106	17	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	123.4735	0.377	2	123.5351	1.106	17	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	123.2620	0.799	2	123.5351	1.106	17	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CC[6a]H)(H)	122.6680	0.832	2	123.5351	1.106	17	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	123.8270	1.500	7	123.5351	1.106	17	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]2)(CCH)(H)	128.0020	0.000	1	128.0020	0.000	1	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Zn<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6]H)(H)	121.0830	1.976	2	121.0830	3.903	2	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Zn<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	124.7930	1.922	4	124.7930	3.694	4	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[5a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C(C[6]C[6]2)(CC[5a]H)(H)	120.5990	0.000	1	120.5990	0.000	1	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[5a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C(C[6]C[6]2)(CC[5a]H)(H)	123.9800	0.000	1	123.9800	0.000	1	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CCC)(H)	C[6](C[6]C[6]H)2(CCH){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCC)(H)	121.5720	5.937	2	121.5720	35.246	2	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C(C[6]C[6]2)(CCH)(H)	122.8610	0.000	1	122.8610	0.000	1	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(CC[5]H)(H)	120.6050	2.448	2	120.6050	5.993	2	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CPP)(H)	C[6](C[6]C[6]H)2(CCH){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CPP)(H)	123.3025	1.432	2	124.7527	7.334	3	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CPP)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C(C[6]C[6]2)(CPP)(H)	127.6530	0.000	1	124.7527	7.334	3	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CSiH)(H)	C[6](C[6]C[6]H)2(CCH){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CSiH)(H)	121.9310	1.941	4	121.9310	3.766	4	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CCH)(H)	121.1800	0.000	1	121.0140	5.068	22	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCH)(H)	116.4130	0.000	1	121.0140	5.068	22	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CCH)(H)	122.0018	1.712	4	121.0140	5.068	22	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CCH)(H)	121.0442	2.199	16	121.0140	5.068	22	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[5]H)(H)	119.4360	0.000	1	122.2687	7.355	11	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CC[5]H)(H)	123.7215	6.186	2	122.2687	7.355	11	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	C(C[6]C[6]2)(CC[5]H)(H)	122.6628	1.513	4	122.2687	7.355	11	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[5]H)(H)	121.8870	1.380	2	122.2687	7.355	11	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[5]H)(H)	121.8260	3.599	2	122.2687	7.355	11	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[5a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CC[5a]H)(H)	121.7596	2.841	24	121.7596	8.070	24	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6]H)(H)	121.3912	1.997	4	121.3120	9.113	290	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6]H)(H)	122.1545	1.917	2	121.3120	9.113	290	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CC[6]H)(H)	121.5662	3.138	34	121.3120	9.113	290	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(CC[6]H)(H)	121.6585	1.644	2	121.3120	9.113	290	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6]H)(H)	121.0914	2.854	160	121.3120	9.113	290	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6]H)(H)	121.5833	2.560	6	121.3120	9.113	290	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6]H)(H)	121.6857	0.834	4	121.3120	9.113	290	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<8>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6]H)(H)	122.6665	0.088	2	121.3120	9.113	290	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6]H)(H)	121.8175	2.632	6	121.3120	9.113	290	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6]H)(H)	121.2168	1.939	6	121.3120	9.113	290	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CC[6]H)(H)	121.0305	2.124	4	121.3120	9.113	290	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6]H)(H)	121.2622	8.139	10	121.3120	9.113	290	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<9>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6]H)(H)	121.4035	3.959	2	121.3120	9.113	290	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6]H)(H)	121.6707	2.723	8	121.3120	9.113	290	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6]H)(H)	121.6322	2.068	24	121.3120	9.113	290	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Sn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6]H)(H)	121.7301	2.581	8	121.3120	9.113	290	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6]H)(H)	121.5033	2.354	6	121.3120	9.113	290	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6]H)(H)	122.3435	5.593	2	121.3120	9.113	290	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a]C)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CC[6a]C)(H)	122.9505	6.301	2	122.9505	39.703	2	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	122.1655	2.731	4	121.7027	6.085	361	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	122.3107	2.939	3	121.7027	6.085	361	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	122.3420	4.787	2	121.7027	6.085	361	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	121.8312	2.491	168	121.7027	6.085	361	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	121.7117	2.532	6	121.7027	6.085	361	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	C(C[6]C[6]2)(CC[6a]H)(H)	121.5727	1.074	4	121.7027	6.085	361	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	C(C[6]C[6]2)(CC[6a]H)(H)	121.7278	3.512	4	121.7027	6.085	361	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	121.3951	2.483	102	121.7027	6.085	361	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	122.0065	1.616	4	121.7027	6.085	361	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	121.7300	2.345	2	121.7027	6.085	361	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	121.7545	3.328	6	121.7027	6.085	361	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	121.8452	1.621	6	121.7027	6.085	361	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CC[6a]H)(H)	121.8641	2.010	10	121.7027	6.085	361	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	121.7001	2.352	16	121.7027	6.085	361	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	121.8666	3.766	10	121.7027	6.085	361	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	121.6948	1.704	10	121.7027	6.085	361	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	121.6105	2.888	4	121.7027	6.085	361	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CHH)(H)	121.5355	8.355	4	121.7234	13.906	18	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CHH)(H)	121.7642	1.393	12	121.7234	13.906	18	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CHH)(H)	121.8545	2.334	2	121.7234	13.906	18	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)2(CCH){1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCH)(H)	122.6630	3.046	2	122.6630	9.279	2	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)2(CCH){1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[5]H)(H)	122.5235	3.105	2	122.5235	9.640	2	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C(C[6]C[6]2)(CC[5a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[5a]H)(H)	122.4790	3.594	2	122.4790	12.913	2	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]P[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|P<4>,2|C<2>}	C[6](C[6]C[6]C)(C[6]P[6]C)(H){1|H<1>,3|C<3>}	C(C[6]C[6]2)(CC[6a]H)(H)	120.2260	1.986	2	120.2260	3.942	2	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CCH)(H)	122.7800	0.000	1	123.1545	0.281	2	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CCH)(H)	123.5290	0.000	1	123.1545	0.281	2	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CC[5]H)(H)	123.3410	0.000	1	123.3410	0.000	1	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CC[6a]H)(H)	121.5448	3.260	4	121.2787	8.769	9	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CC[6a]H)(H)	120.9473	2.947	3	121.2787	8.769	9	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CC[6a]H)(H)	121.2435	4.505	2	121.2787	8.769	9	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)2(CCH){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CC[5]H)(H)	120.9390	1.877	2	120.9390	3.522	2	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)2(CCH){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CC[6a]H)(H)	120.4478	2.173	74	120.4478	4.720	74	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CC[6]H)(H)	123.8880	0.000	1	123.8880	0.000	1	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CCH)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CCH){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CC[6a]H)(H)	122.4050	0.000	1	122.4050	0.000	1	121.5477	7.375	888	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:O-1:	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(CCO)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CCC)(O)	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(CCO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){2|C<3>,2|C<4>}	C(C[6]C[6]2)(CCC)(O)	113.1785	0.784	2	113.4713	0.565	3	119.8951	13.849	18	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:O-1:	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(CCO)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CCC)(O)	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(CCO){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<3>,3|C<4>}	C(C[6]C[6]2)(CCC)(O)	114.0570	0.000	1	113.4713	0.565	3	119.8951	13.849	18	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCO){1|Br<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|O<2>}	C(C[6]C[6]2)(CC[6]O)(O)	121.8140	0.000	1	121.4620	0.248	2	119.8951	13.849	18	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCO){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(CC[6]O)(O)	121.1100	0.000	1	121.4620	0.248	2	119.8951	13.849	18	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:O-1:	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CCH)(O)	C[6](C[6]C[6]H)2(CCO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Br<1>,1|C<2>,1|H<1>}	C(C[6]C[6]2)(CCH)(O)	123.4640	0.000	1	123.4640	0.000	1	119.8951	13.849	18	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:O-1:	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CCH)(O)	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CCH)(O)	120.8336	2.943	10	120.9424	7.222	12	119.8951	13.849	18	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:O-1:	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CCH)(O)	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCH)(O)	121.4865	0.887	2	120.9424	7.222	12	119.8951	13.849	18	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6]H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)2(H)	C[6](C[6]C[6]H)2(CC[6]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)2(H)	121.6448	3.994	6	121.7794	15.409	8	122.1440	14.298	10	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6]H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)2(H)	C[6](C[6]C[6]H)2(CC[6]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)2(H)	122.1830	5.261	2	121.7794	15.409	8	122.1440	14.298	10	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6]H)	C[6](C[6]C[6a]O[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)2(H)	C[6](C[6]C[6]H)2(CC[6]H){1|O<2>,2|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C(C[6]C[6]2)2(H)	123.6025	3.936	2	123.6025	15.496	2	122.1440	14.298	10	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)2(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)2(O)	123.2200	0.000	1	123.2200	0.000	1	122.0477	6.006	3	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)2(CC[6]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6,6]C[6])(C[6]C[6]2)(O)	C[6](C[6]C[6]H)2(CC[6]O){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C(C[6]C[6,6]C[6])(C[6]C[6]2)(O)	121.4615	3.154	2	121.4615	9.950	2	122.0477	6.006	3	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	C(C[6]C[6]2)(NC[6a]H)(H)	119.8397	0.424	3	119.8397	0.180	3	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC[6a]Pd)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	C(C[6]C[6]2)(NC[6a]Pd)(H)	124.0030	0.000	1	124.0030	0.000	1	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CHN){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|O<1>}	C(C[6]C[6]2)(NCH)(H)	121.2970	0.000	1	121.2970	0.000	1	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NCH)(H)	119.4873	0.507	3	119.4437	0.153	7	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NCH)(H)	118.8900	0.000	1	119.4437	0.153	7	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NCH)(H)	119.5847	0.126	3	119.4437	0.153	7	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	118.8007	1.216	3	118.3846	1.118	7	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	119.5000	0.000	1	118.3846	1.118	7	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	117.5967	0.246	3	118.3846	1.118	7	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NCH)(H)	120.4430	0.000	1	119.1212	0.478	26	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NCH)(H)	118.9398	0.745	13	119.1212	0.478	26	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NCH)(H)	119.1203	0.609	7	119.1212	0.478	26	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(NCH)(H)	119.3296	0.413	5	119.1212	0.478	26	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[5,6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[5,6]H)(H)	119.0970	0.887	2	119.0970	0.786	2	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NC[6]H)(H)	119.6420	0.000	1	119.6420	0.000	1	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	119.6826	0.700	15	119.4662	0.552	41	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(NC[6a]H)(H)	120.8850	0.000	1	119.4662	0.552	41	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	118.9164	0.415	8	119.4662	0.552	41	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	119.3210	0.000	1	119.4662	0.552	41	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	120.0288	0.544	4	119.4662	0.552	41	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(NC[6a]H)(H)	119.4056	0.613	11	119.4662	0.552	41	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	117.7600	0.000	1	119.4662	0.552	41	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NCH)(H)	118.8417	0.499	3	118.5786	0.431	24	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NCH)(H)	118.3736	0.660	16	118.5786	0.431	24	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|N<2>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NCH)(H)	119.0770	0.434	5	118.5786	0.431	24	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C(C[6]C[6]2)(NC[3x6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[3x6]H)(H)	118.9230	0.000	1	118.9230	0.000	1	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	118.3940	0.761	4	118.3940	0.579	4	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NCH)(H)	119.6370	0.000	1	119.6370	0.000	1	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	118.0800	0.000	1	118.0800	0.000	1	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NCH)(H)	118.0920	0.216	2	118.3443	0.214	3	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NCH)(H)	118.8490	0.000	1	118.3443	0.214	3	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	118.2520	0.016	2	118.9752	0.642	10	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	119.2423	0.175	3	118.9752	0.642	10	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	117.8490	0.000	1	118.9752	0.642	10	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	119.4180	0.895	4	118.9752	0.642	10	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NCH)(H)	117.9830	0.000	1	118.3470	0.380	3	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NCH)(H)	118.5290	0.750	2	118.3470	0.380	3	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	119.0782	0.407	4	118.5340	0.544	7	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	117.8083	0.044	3	118.5340	0.544	7	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6]2)(NC[6a]H)(H)	119.7240	0.000	1	119.7240	0.000	1	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)2(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NCH)(H)	120.6420	4.122	2	120.6420	16.994	2	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NNiN)(H)	C[6](C[6]C[6]H)2(CHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NNiN)(H)	127.9480	0.000	1	127.9480	0.000	1	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NPdC)(H)	C[6](C[6]C[6]H)2(CHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<2>,1|H<1>}	C(C[6]C[6]2)(NPdC)(H)	115.7660	0.000	1	115.7660	0.000	1	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)2(CHN){1|C<3>,2|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	120.2405	6.543	2	120.2405	42.809	2	119.1572	1.863	150	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHH)(N)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(N)	121.0140	0.000	1	121.0140	0.000	1	120.7103	1.070	3	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-1:	C[6](C[6]C[6]H)2(CNN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHH)(N)	C[6](C[6]C[6]H)2(CNN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(N)	120.5585	1.415	2	120.5585	2.002	2	120.7103	1.070	3	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Hg<4>,2|C<3>}	C(C[6]C[6]2)(NCC)(O)	120.1240	0.000	1	120.1240	0.000	1	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NCH)(O)	116.9000	0.448	2	116.7093	0.210	3	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NCH)(O)	116.3280	0.000	1	116.7093	0.210	3	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	117.4140	0.000	1	117.4140	0.000	1	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NCH)(O)	116.2530	0.000	1	116.2530	0.000	1	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C(C[6]C[6]2)(NHN)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NHN)(O)	117.3570	0.000	1	117.3570	0.000	1	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NCH)(O)	117.4215	0.636	2	117.4215	0.404	2	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(O)	123.8490	0.000	1	123.8490	0.000	1	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Co<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCC)(O)	120.3780	0.000	1	121.4960	3.730	25	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCC)(O)	122.4147	2.024	6	121.4960	3.730	25	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCC)(O)	120.9420	1.461	2	121.4960	3.730	25	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCC)(O)	121.2043	2.390	4	121.4960	3.730	25	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCC)(O)	120.7100	2.476	4	121.4960	3.730	25	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCC)(O)	121.8410	0.000	1	121.4960	3.730	25	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCC)(O)	121.5298	1.590	4	121.4960	3.730	25	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCC)(O)	121.6780	2.629	3	121.4960	3.730	25	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(O)	117.3660	0.000	1	121.8815	10.716	13	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(NCH)(O)	118.3445	0.455	2	121.8815	10.716	13	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(NCH)(O)	119.8075	1.493	2	121.8815	10.716	13	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(O)	121.3757	2.078	3	121.8815	10.716	13	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(O)	125.5180	0.000	2	121.8815	10.716	13	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(NCH)(O)	125.2087	1.240	3	121.8815	10.716	13	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6]H)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NC[6]H)(O)	117.7350	0.000	1	117.7350	0.000	1	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	124.7960	0.000	1	121.3471	7.564	14	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Hg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	120.6572	0.714	5	121.3471	7.564	14	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	121.8971	3.293	7	121.3471	7.564	14	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	117.4970	0.000	1	121.3471	7.564	14	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(NHH)(O)	124.0740	0.000	1	122.3792	7.538	90	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	123.0693	3.030	18	122.3792	7.538	90	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	121.4057	2.881	18	122.3792	7.538	90	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	123.2750	2.882	2	122.3792	7.538	90	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	122.7906	2.624	22	122.3792	7.538	90	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	123.2403	3.206	4	122.3792	7.538	90	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Cu<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	118.9290	0.000	1	122.3792	7.538	90	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	125.3240	0.000	1	122.3792	7.538	90	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	122.4743	3.359	3	122.3792	7.538	90	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	122.5886	2.453	9	122.3792	7.538	90	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	119.2615	0.303	2	122.3792	7.538	90	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	120.8870	2.720	4	122.3792	7.538	90	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	123.0025	0.637	4	122.3792	7.538	90	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	119.5420	0.000	1	122.3792	7.538	90	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHN)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NHN)(O)	118.9127	0.806	3	122.7988	13.424	10	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHN)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NHN)(O)	124.4643	3.022	7	122.7988	13.424	10	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(O)	124.2618	1.431	18	124.1609	1.822	22	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|O<1>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(O)	123.7065	0.900	4	124.1609	1.822	22	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(NCC)(O)	119.9160	0.000	1	123.4340	24.753	2	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|Rh<7>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(NCC)(O)	126.9520	0.000	1	123.4340	24.753	2	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHN)(O)	C[6](C[6]C[6]H)(C[6]N[6]S)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]2)(NHN)(O)	115.3400	0.000	1	115.3400	0.000	1	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]H)2(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NCC)(O)	120.4167	2.905	4	120.4167	8.438	4	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)2(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NHH)(O)	120.9375	3.812	2	120.9375	14.531	2	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(NCH)(O)	121.3855	5.727	2	121.1205	6.588	28	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(O)	120.5105	1.664	2	121.1205	6.588	28	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCH)(O)	121.0520	2.050	4	121.1205	6.588	28	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCH)(O)	121.2325	3.602	4	121.1205	6.588	28	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCH)(O)	121.1527	2.447	16	121.1205	6.588	28	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NC[3x6]H)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[3x6]H)(O)	120.5940	3.541	4	121.0230	10.825	8	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NC[3x6]H)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NC[3x6]H)(O)	121.4520	3.498	4	121.0230	10.825	8	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NC[6]H)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6]H)(O)	120.3345	7.773	2	120.3345	60.423	2	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	123.2220	0.000	1	121.1367	5.098	15	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	121.1915	5.741	2	121.1367	5.098	15	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	120.6603	1.607	4	121.1367	5.098	15	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	120.7010	2.070	4	121.1367	5.098	15	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	121.5000	1.937	4	121.1367	5.098	15	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NDD)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|D<1>,1|H<1>}	C(C[6]C[6]2)(NDD)(O)	120.2520	1.650	4	120.2520	2.723	4	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ag<3>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NHH)(O)	120.8158	4.066	4	120.6943	7.447	107	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(NHH)(O)	120.5801	3.692	10	120.6943	7.447	107	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	120.4672	2.513	48	120.6943	7.447	107	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NHH)(O)	121.1157	3.124	14	120.6943	7.447	107	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<7>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NHH)(O)	120.8263	2.529	4	120.6943	7.447	107	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NHH)(O)	120.7935	2.898	4	120.6943	7.447	107	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(NHH)(O)	120.2405	2.680	4	120.6943	7.447	107	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<7>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NHH)(O)	120.7245	3.218	2	120.6943	7.447	107	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NHH)(O)	121.1107	3.167	4	120.6943	7.447	107	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NHH)(O)	121.0798	3.406	4	120.6943	7.447	107	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NHH)(O)	120.6150	0.000	1	120.6943	7.447	107	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NHH)(O)	121.1695	2.465	4	120.6943	7.447	107	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NHH)(O)	121.0575	2.892	4	120.6943	7.447	107	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHN)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(NHN)(O)	120.9390	5.175	2	120.6594	13.799	84	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHN)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHN)(O)	120.5057	3.683	58	120.6594	13.799	84	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHN)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NHN)(O)	121.0305	5.124	2	120.6594	13.799	84	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHN)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NHN)(O)	121.0864	4.392	8	120.6594	13.799	84	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHN)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NHN)(O)	121.1535	6.812	2	120.6594	13.799	84	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHN)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NHN)(O)	120.9288	2.974	6	120.6594	13.799	84	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHN)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NHN)(O)	120.7837	4.486	4	120.6594	13.799	84	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHN)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NHN)(O)	121.2070	5.312	2	120.6594	13.799	84	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHO)(O)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHO)(O)	120.2745	2.954	2	120.2745	8.724	2	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(NC[6a]H)(O)	118.0000	0.000	1	118.0000	0.000	1	121.3131	9.402	445	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:S-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNS)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHH)(S)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNS){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(S)	121.1895	0.610	2	121.1895	0.372	2	120.4552	0.945	53	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:S-1:	C[6](C[6]C[6]H)2(CNS)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHH)(S)	C[6](C[6]C[6]H)2(CNS){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(NHH)(S)	120.7995	0.801	2	121.0042	0.315	32	120.4552	0.945	53	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:S-1:	C[6](C[6]C[6]H)2(CNS)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHH)(S)	C[6](C[6]C[6]H)2(CNS){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(S)	120.5727	0.582	4	121.0042	0.315	32	120.4552	0.945	53	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:S-1:	C[6](C[6]C[6]H)2(CNS)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHH)(S)	C[6](C[6]C[6]H)2(CNS){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NHH)(S)	121.1036	0.552	16	121.0042	0.315	32	120.4552	0.945	53	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:S-1:	C[6](C[6]C[6]H)2(CNS)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHH)(S)	C[6](C[6]C[6]H)2(CNS){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NHH)(S)	121.0466	0.588	8	121.0042	0.315	32	120.4552	0.945	53	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:S-1:	C[6](C[6]C[6]H)2(CNS)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHH)(S)	C[6](C[6]C[6]H)2(CNS){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NHH)(S)	121.1065	0.326	2	121.0042	0.315	32	120.4552	0.945	53	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:S-1:	C[6](C[6]C[6]H)2(CNS)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCH)(S)	C[6](C[6]C[6]H)2(CNS){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(NCH)(S)	119.4832	0.940	11	119.4832	0.884	11	120.4552	0.945	53	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:S-1:	C[6](C[6]C[6]H)2(CNS)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(NHH)(S)	C[6](C[6]C[6]H)2(CNS){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(NHH)(S)	119.4126	0.224	8	119.4126	0.050	8	120.4552	0.945	53	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(N[5]C[5]2)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(O)	119.7135	1.727	2	119.7135	2.984	2	119.7135	2.984	2	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(N[6]C[6]2)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6]O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(N[6]C[6]2)(O)	122.1460	0.000	1	122.1460	0.000	1	121.3684	1.436	7	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]H)2(CN[6]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N[6]C[6]2)(O)	C[6](C[6]C[6]H)2(CN[6]O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(N[6]C[6]2)(O)	120.9175	1.795	2	121.2388	1.582	6	121.3684	1.436	7	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]H)2(CN[6]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(N[6]C[6]2)(O)	C[6](C[6]C[6]H)2(CN[6]O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(N[6]C[6]2)(O)	121.3995	1.208	4	121.2388	1.582	6	121.3684	1.436	7	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]H)	C[6](C[6]C[6a]Si[6])(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]H){1|Si<4>,2|C<3>}	C[6](C[6]C[6a]Si[6])(C[6]C[6]C)(H){2|C<4>,4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	118.1290	0.000	1	118.1290	0.000	1	121.1617	10.051	7	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]H)	C[6](C[6]C[6]C)2(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]H)2(CC[6a]H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	121.6672	3.149	6	121.6672	9.915	6	121.1617	10.051	7	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	123.6900	0.000	1	123.6900	0.000	1	120.8833	5.629	47	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	124.6450	0.000	1	120.5367	7.882	4	120.8833	5.629	47	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	120.0360	0.000	1	120.5367	7.882	4	120.8833	5.629	47	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	118.6590	0.000	1	120.5367	7.882	4	120.8833	5.629	47	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	118.8070	0.000	1	120.5367	7.882	4	120.8833	5.629	47	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(O)	120.2767	0.609	4	120.2767	0.371	4	120.8833	5.629	47	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]O)	C[6](C[6]C[6]C)2(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]O){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<4>,1|O<2>,2|N<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	121.4860	0.000	1	121.4860	0.000	1	120.8833	5.629	47	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]H)2(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	120.8310	4.172	2	120.8310	17.405	2	120.8833	5.629	47	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	120.3100	2.833	2	121.0121	6.074	32	120.8833	5.629	47	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	120.7585	3.067	2	121.0121	6.074	32	120.8833	5.629	47	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	121.0655	3.472	4	121.0121	6.074	32	120.8833	5.629	47	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	120.9153	3.356	4	121.0121	6.074	32	120.8833	5.629	47	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	120.9507	2.584	6	121.0121	6.074	32	120.8833	5.629	47	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	122.1425	3.367	2	121.0121	6.074	32	120.8833	5.629	47	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	121.0557	2.376	6	121.0121	6.074	32	120.8833	5.629	47	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	120.9930	2.600	4	121.0121	6.074	32	120.8833	5.629	47	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	121.0160	1.978	2	121.0121	6.074	32	120.8833	5.629	47	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]C)2(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CC[6a]O){1|C<4>,1|S<4>,3|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	117.3170	0.000	1	117.3170	0.000	1	120.8833	5.629	47	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[5,6]N)(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5,6]N)(C[6]C[6]C)(H){1|H<1>,2|N<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	119.2770	0.000	1	119.2770	0.000	1	120.8833	5.629	47	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6,6a]C)(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(CC[6a]O){3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	122.4420	0.000	1	122.4420	0.000	1	120.8833	5.629	47	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)(CC[5,6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]2)(CC[5,6]H)(H)	114.4483	2.311	3	114.4483	5.341	3	117.5828	17.998	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CHN)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CCH){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){2|Cl<1>,1|C<3>}	C(C[6]C[6]2)(CHN)(H)	121.1640	0.000	1	121.1640	0.000	1	117.5828	17.998	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH){1|C<3>,2|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[5]H)(H)	115.2380	0.000	1	115.2380	0.000	1	117.5828	17.998	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[5]H)(H)	122.5490	0.000	1	122.5490	0.000	1	117.5828	17.998	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[5]H)(H)	123.5260	0.000	1	123.5260	0.000	1	117.5828	17.998	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[6]2)(CCH)(H)	114.8400	0.000	1	114.8400	0.000	1	117.5828	17.998	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(CC[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCO){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6]O)(O)	119.8220	0.000	1	119.8220	0.000	1	119.8220	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|C<4>}	C(C[6]C[6]2)(NCH)(H)	116.6565	0.040	2	116.6565	0.002	2	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|C<4>}	C(C[6]C[6]2)(NC[6a]H)(H)	116.8640	0.000	1	116.8640	0.000	1	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(H)	119.0777	0.165	3	119.0777	0.027	3	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	120.1920	0.076	2	120.2768	0.020	5	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	120.3333	0.159	3	120.2768	0.020	5	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]F)(O)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]F)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(H)	118.9570	0.000	1	118.9570	0.000	1	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(H)	119.0970	0.095	3	120.7106	0.429	38	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(H)	121.0745	0.610	2	120.7106	0.429	38	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(H)	121.0530	0.657	3	120.7106	0.429	38	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(H)	120.8691	0.427	16	120.7106	0.429	38	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(H)	119.9540	0.000	1	120.7106	0.429	38	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NCH)(H)	121.0702	0.429	5	120.7106	0.429	38	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(H)	120.6133	0.407	7	120.7106	0.429	38	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(H)	120.9000	0.000	1	120.7106	0.429	38	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NC[3x6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[3x6]H)(H)	120.0500	0.000	1	120.0500	0.000	1	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NC[5,6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[5,6]H)(H)	120.2015	0.448	2	120.2015	0.200	2	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	121.2233	0.577	3	121.2418	0.318	40	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	120.8910	0.057	3	121.2418	0.318	40	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	121.2848	0.531	4	121.2418	0.318	40	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	121.0240	0.000	1	121.2418	0.318	40	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]2)(NC[6a]H)(H)	122.4340	0.000	1	121.2418	0.318	40	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(NC[6a]H)(H)	121.9105	0.490	4	121.2418	0.318	40	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NC[6a]H)(H)	121.5201	0.380	11	121.2418	0.318	40	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	120.9087	0.354	8	121.2418	0.318	40	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	120.6305	0.416	4	121.2418	0.318	40	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	120.5780	0.000	1	121.2418	0.318	40	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(H)	120.0640	0.000	1	120.1754	0.339	19	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(H)	120.2305	0.639	13	120.1754	0.339	19	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|N<2>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(H)	120.0544	0.522	5	120.1754	0.339	19	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	119.9170	0.000	1	120.0071	0.218	18	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	121.0110	0.000	1	120.0071	0.218	18	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NC[6a]H)(H)	120.0810	0.000	1	120.0071	0.218	18	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	119.9413	0.432	15	120.0071	0.218	18	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(H)	120.4350	0.000	1	120.4350	0.000	1	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	120.2293	0.756	4	120.2293	0.572	4	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(H)	120.0685	0.063	2	120.0685	0.004	2	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	120.3950	0.016	3	120.3950	0.000	3	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C(C[6]C[6]2)(NC[6a]H)(H)	120.9110	0.000	1	120.9110	0.000	1	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]O)2(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]O)2(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|O<2>}	C(C[6]C[6]2)(NC[6a]H)(H)	121.0420	0.000	1	121.0420	0.000	1	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]O)2(CHN)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)(NCC)(H)	C[6](C[6]C[6]O)2(CHN){3|C<3>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|O<1>}	C(C[6]C[6]2)(NCC)(H)	119.5332	5.016	6	119.5332	25.159	6	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]O)2(CHN)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]O)2(CHN){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(O){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NCH)(H)	120.7442	0.627	4	119.7185	3.179	10	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]O)2(CHN)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]O)2(CHN){3|C<3>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|O<1>}	C(C[6]C[6]2)(NCH)(H)	119.0347	2.021	6	119.7185	3.179	10	120.4263	1.837	158	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(O)	C(C[6]C[6]2)(NHN)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	C(C[6]C[6]2)(NHN)(O)	124.8950	0.000	1	124.8950	0.000	1	123.3866	0.627	10	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6,6a]N)(C[6]C[6]C)(O)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CNO){1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	C(C[6]C[6]2)(NC[6a]H)(O)	123.3270	0.000	1	123.3270	0.000	1	123.3866	0.627	10	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(O)	123.7680	0.000	1	123.5743	0.029	3	123.3866	0.627	10	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(O)	123.4775	0.037	2	123.5743	0.029	3	123.3866	0.627	10	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NHN)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHN)(O)	122.9470	0.000	1	122.9470	0.000	1	123.3866	0.627	10	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	123.9200	0.000	1	123.9200	0.000	1	123.3866	0.627	10	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(O)	122.3145	0.653	2	122.6847	0.624	3	123.3866	0.627	10	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(O)	123.4250	0.000	1	122.6847	0.624	3	123.3866	0.627	10	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]O){1|C<3>,2|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	115.1720	0.000	1	115.1720	0.000	1	115.1720	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-3:Br-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CBrC)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a]Br)(Br)	C[6](C[6]C[6]H)(C[6]N[6]H)(CBrC){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]Br)(Br)	118.7630	0.000	2	118.7630	0.000	2	118.7630	0.000	2	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CCH)(H)	122.1820	0.000	1	122.1820	0.000	1	120.7210	4.269	2	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	119.2600	0.000	1	119.2600	0.000	1	120.7210	4.269	2	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6]O)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)2(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)2(O)	117.9060	0.000	1	117.9060	0.000	1	117.9060	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNN)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(NHH)(N)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(N)	122.5430	0.000	1	122.5430	0.000	1	122.5430	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]C)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(NCC)(O)	116.2215	1.370	2	116.2215	1.876	2	118.3520	8.743	74	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCC)(O)	120.7260	0.000	1	117.5890	19.682	2	118.3520	8.743	74	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|Rh<7>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCC)(O)	114.4520	0.000	1	117.5890	19.682	2	118.3520	8.743	74	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(O)	117.0426	1.511	18	117.0426	2.283	18	118.3520	8.743	74	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(NHH)(O)	117.8050	0.000	1	117.5349	7.410	18	118.3520	8.743	74	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	117.6231	2.863	16	117.5349	7.410	18	118.3520	8.743	74	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	115.8550	0.000	1	117.5349	7.410	18	118.3520	8.743	74	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(NHN)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHN)(O)	122.4463	0.659	3	122.4463	0.434	3	118.3520	8.743	74	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(O)	114.6440	0.000	1	120.5375	69.467	2	118.3520	8.743	74	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(O)	126.4310	0.000	1	120.5375	69.467	2	118.3520	8.743	74	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	120.4316	2.818	18	120.4316	7.943	18	118.3520	8.743	74	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(NHN)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHN)(O)	117.4764	2.748	7	117.4764	7.551	7	118.3520	8.743	74	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(O)	117.3790	0.651	4	117.3790	0.424	4	118.3520	8.743	74	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-3:S-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNS)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(NHH)(S)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNS){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(S)	120.6790	0.049	2	120.6790	0.002	2	120.6790	0.002	2	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[5]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]O)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(N[5]C[5]2)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(O)	119.3605	0.093	2	119.3605	0.009	2	118.3630	2.989	3	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[5]-3:O-1:	C[6](C[6]C[6]N[5])(C[6]N[6]H)(CN[5]O)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(N[5]C[5]2)(O)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(CN[5]O){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(N[5]C[5]2)(O)	116.3680	0.000	1	116.3680	0.000	1	118.3630	2.989	3	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6]O)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(N[6]C[6]2)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6]O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(N[6]C[6]2)(O)	118.5650	0.000	1	118.5650	0.000	1	118.5650	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CC[6a]O){1|C<4>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|N<2>,1|S<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	119.9710	0.078	2	119.9710	0.006	2	119.9710	0.006	2	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	120.8400	0.000	1	120.8400	0.000	1	120.2768	17.717	10	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>}	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	121.2340	0.000	1	121.2340	0.000	1	120.2768	17.717	10	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]N[6]O)2(CC[5a]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[6](C[6]N[6]O)2(CC[5a]H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	120.4195	7.599	2	120.4195	57.749	2	120.2768	17.717	10	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]N[6]O)2(CC[5a]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[6](C[6]N[6]O)2(CC[5a]H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	119.9345	5.447	2	119.9345	29.668	2	120.2768	17.717	10	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]N[6]O)2(CC[5a]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]N[6]O)2(CC[5a]H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	119.9965	4.838	4	119.9965	23.405	4	120.2768	17.717	10	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]O)(CCH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]C)(C[6]N[6]O)(CCH){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CCH)(H)	120.5840	0.000	1	120.5840	0.000	1	120.3244	13.805	17	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]N[6]O)2(CCH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]N[6]O)2(CCH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C(C[6]C[6]2)(CCH)(H)	119.9365	3.124	4	119.9365	9.758	4	120.3244	13.805	17	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]N[6]O)2(CCH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C(C[6]C[6]2)(CCO)(H)	C[6](C[6]N[6]O)2(CCH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C(C[6]C[6]2)(CCO)(H)	120.4839	4.941	8	120.4839	24.412	8	120.3244	13.805	17	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]N[6]O)2(CCH)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]N[6]O)2(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C(C[6]C[6]2)(CCH)(H)	120.4245	2.787	2	120.4245	7.766	2	120.3244	13.805	17	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]N[6]O)2(CCH)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C(C[6]C[6]2)(CC[5]C)(H)	C[6](C[6]N[6]O)2(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C(C[6]C[6]2)(CC[5]C)(H)	120.2325	3.470	2	120.2325	12.039	2	120.3244	13.805	17	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(CNO){2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	C(C[6]C[6]2)(NCH)(O)	122.4930	0.000	1	122.4930	0.000	1	122.4930	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N-3:S-1:	C[6](C[6]N[6]O)2(CNS)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C(C[6]C[6]2)(NC[6a]H)(S)	C[6](C[6]N[6]O)2(CNS){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,1|O<2>,1|S<1>}	C(C[6]C[6]2)(NC[6a]H)(S)	120.9840	0.000	1	120.9840	0.000	1	120.9840	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]N[6]O)2(CC[6a]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C(C[6a]C[6a,6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C(C[6a]C[6a,6a]2)(C[6]C[6]2)(H)	120.1492	3.669	4	120.1492	13.460	4	120.5358	37.027	34	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]N[6]O)2(CC[6a]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	115.2420	0.000	1	120.3728	40.822	27	120.5358	37.027	34	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]N[6]O)2(CC[6a]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	120.5702	6.431	26	120.3728	40.822	27	120.5358	37.027	34	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]N[6]O)2(CC[6a]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	125.6320	0.000	1	122.5183	53.518	3	120.5358	37.027	34	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]N[6]O)2(CC[6a]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	120.9615	9.617	2	122.5183	53.518	3	120.5358	37.027	34	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:S-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]H)(S)	C(C[6]C[6]2)(NHN)(O)	C[6](C[6]C[6]H)(C[6]N[6]S)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(S){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHN)(O)	125.1860	0.000	1	125.1860	0.000	1	125.1860	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CCH)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CCH){1|B<4>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]C)(H){1|H<1>,5|C<3>}	C(C[6]C[6]2)(CC[6a]H)(H)	121.1510	0.000	1	121.1510	0.000	1	121.1510	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[5,6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CC[6a]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	122.3100	0.000	1	122.3100	0.000	1	122.3100	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6,6a]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(CC[6a]O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(CC[6a]O){3|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	118.4620	0.000	1	118.4620	0.000	1	118.4620	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	118.9770	0.000	1	118.9770	0.000	1	119.3049	2.895	26	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CCH)(H)	117.7680	0.164	2	117.7680	0.027	2	119.3049	2.895	26	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	118.9295	0.104	2	118.9295	0.011	2	119.3049	2.895	26	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	120.0060	0.044	2	120.0060	0.002	2	119.3049	2.895	26	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	119.5555	1.189	2	119.5555	1.413	2	119.3049	2.895	26	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	119.2581	1.885	7	119.6866	3.392	9	119.3049	2.895	26	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(CC[6a]H)(H)	121.1860	0.219	2	119.6866	3.392	9	119.3049	2.895	26	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CCH)(H)	117.9300	0.233	2	117.9300	0.054	2	119.3049	2.895	26	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Zn<4>,2|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6]H)(H)	122.3880	0.491	2	122.3880	0.241	2	119.3049	2.895	26	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Zn<4>,2|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	118.1545	1.621	4	118.1545	2.626	4	119.3049	2.895	26	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Hg)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]C)(C[6]N[6]H)(CNO){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(NCC)(O)	118.2790	0.000	1	118.2790	0.000	1	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(NHH)(O)	121.8930	0.137	2	121.8930	0.019	2	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	117.7760	1.491	2	117.7760	2.222	2	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCC)(O)	121.0390	0.000	1	119.2411	3.277	7	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCC)(O)	118.9415	1.783	6	119.2411	3.277	7	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(NCH)(O)	123.7575	0.235	2	123.7575	0.055	2	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	119.2045	2.420	22	119.2045	5.855	22	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCC)(O)	120.9170	1.660	2	120.9170	2.757	2	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(NCH)(O)	122.4605	1.182	2	122.4605	1.396	2	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	117.2410	0.000	1	117.2410	0.000	1	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	118.8492	3.051	4	119.7474	11.014	5	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Cu<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	123.3400	0.000	1	119.7474	11.014	5	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Hg)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	120.9142	1.779	5	120.9142	3.167	5	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCC)(O)	119.8257	2.423	4	119.8257	5.870	4	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	119.7423	3.579	3	119.7423	12.806	3	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCC)(O)	120.2905	2.277	4	120.2905	5.186	4	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	119.1147	2.407	9	119.1147	5.794	9	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(O)	120.3047	1.795	3	120.3047	3.224	3	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	122.2150	0.974	2	122.2150	0.949	2	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	120.7715	2.891	4	120.7715	8.358	4	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(O)	117.3860	0.000	2	117.3860	0.000	2	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC[6]H)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6]H)(O)	124.5610	0.000	1	124.5610	0.000	1	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	119.7836	3.641	7	119.7836	13.255	7	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(NCH)(O)	116.9190	2.058	3	116.9190	4.235	3	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	117.7265	0.242	4	117.7265	0.059	4	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCC)(O)	120.0700	0.000	1	119.5546	3.546	8	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCC)(O)	119.7707	1.680	4	119.5546	3.546	8	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NCC)(O)	119.0947	2.763	3	119.5546	3.546	8	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	124.1500	0.000	1	124.1500	0.000	1	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(O)	122.7270	0.000	1	122.7270	0.000	1	119.7437	6.338	107	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CC[6a]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]C)(C[6]N[6]H)(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|C<4>,4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	117.3310	0.000	1	117.3310	0.000	1	120.3150	7.161	11	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](N[6]C[4]C[6])(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6](N[6]C[4]C[6])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	122.0380	0.000	1	122.0380	0.000	1	120.3150	7.161	11	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(O)	121.7717	0.774	4	121.7717	0.599	4	120.3150	7.161	11	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	117.0880	0.000	1	117.0880	0.000	1	120.3150	7.161	11	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	122.7040	0.000	1	122.7040	0.000	1	120.3150	7.161	11	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	123.2770	0.000	1	123.2770	0.000	1	120.3150	7.161	11	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CC[6a]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){6|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	116.9700	1.476	2	116.9700	2.180	2	120.3150	7.161	11	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[5a,6]-3:C[6]-3:O-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(NC[6]H)(O)	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO){1|C<3>,1|S<2>,2|O<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(O){1|C<4>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(NC[6]H)(O)	124.4417	0.474	7	124.4417	0.224	7	124.6012	0.294	9	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[5a,6]-3:C[6]-3:O-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(NC[6a]H)(O)	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO){1|C<3>,1|S<2>,2|O<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(O){1|C<4>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]H)(O)	125.1595	0.449	2	125.1595	0.202	2	124.6012	0.294	9	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]H)(N[6]C[6]H)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCH)(H)	C[6](C[6]C[6,6]H)(N[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	C(C[6]C[6]N[6])(CCH)(H)	124.9230	0.000	1	124.9230	0.000	1	124.9230	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCH)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(CCH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]N[6])(CCH)(H)	120.5520	0.000	1	120.5520	0.000	1	120.5520	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]H)(N[6]C[6]Au)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Au)(O)	C[6](C[6]C[6,6a]H)(N[6]C[6]Au)(CNO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Au<4>,1|H<1>,3|C<3>}	C(C[6]C[6]N[6])(NC[6a]Au)(O)	121.4910	0.000	1	121.4910	0.000	1	121.4910	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[6,6a]O)(N[6]C[6]S)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]O)(N[6]C[6]S)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	118.7770	0.000	1	118.7770	0.000	1	118.7770	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(NC[6]H)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(NC[6]H)(O)	124.6965	0.636	23	124.6965	0.404	23	124.7627	0.479	26	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(NC[6a]H)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]H)(O)	125.2700	1.053	3	125.2700	1.108	3	124.7627	0.479	26	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[5]C[5]N[5])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[5]C[5]N[5])(C[6]C[6]N[6])(H)	123.5440	0.000	1	123.5440	0.000	1	123.5440	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]B)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CHH)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CHH)(H)	121.0060	0.000	1	121.0060	0.000	1	122.8752	5.105	53	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	C[6](C[6]C[6]2)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	120.5540	0.710	7	120.5540	0.504	7	122.8752	5.105	53	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	120.2867	0.798	8	120.2867	0.637	8	122.8752	5.105	53	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCH)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CCH)(H)	123.4920	0.000	1	123.4920	0.000	1	122.8752	5.105	53	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[5a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CC[5a]H)(H)	124.0195	0.064	2	124.0195	0.004	2	122.8752	5.105	53	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	123.5873	0.734	19	123.2779	0.938	23	122.8752	5.105	53	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	121.8083	0.397	4	123.2779	0.938	23	122.8752	5.105	53	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6]H)(H)	124.7202	2.236	6	124.7202	5.001	6	122.8752	5.105	53	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]Br)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]Br)(H)	128.9590	0.000	1	128.9590	0.000	1	122.8752	5.105	53	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	125.1270	5.539	2	125.1270	30.686	2	122.8752	5.105	53	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6])(CC[6]H)(H)	125.3755	0.186	2	125.3755	0.035	2	122.8752	5.105	53	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	121.6210	0.000	1	121.6210	0.000	1	121.6210	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]B)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]B[5])(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<3>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]B[5])(H)	130.1320	0.000	1	130.1320	0.000	1	124.3490	25.140	3	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	121.4575	0.340	2	121.4575	0.116	2	124.3490	25.140	3	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NHH)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NHH)(O)	126.5490	0.756	3	126.5490	0.572	3	126.0244	3.248	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCH)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCH)(O)	127.2767	0.868	3	127.2767	0.754	3	126.0244	3.248	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCC)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(NCC)(O)	122.9450	0.000	1	122.9450	0.000	1	126.0244	3.248	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCH)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(NCH)(O)	123.7730	0.000	1	123.7730	0.000	1	126.0244	3.248	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(N[5]C[5]2)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(O)	122.2540	3.922	2	122.2540	15.379	2	122.2540	15.379	2	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]S)(CCH)	C[6](C[6]N[6]C)(N[6]C[6]S)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]S)(CCH){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]N[6]C)(N[6]C[6]S)(H){1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	119.6090	0.000	1	119.6090	0.000	1	119.6090	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]H)	C[6](C[6]N[6]C)(N[6]C[6]C)(O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]H){1|O<1>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	116.0970	0.000	1	116.0970	0.000	1	117.2783	1.703	3	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H)	C[6](C[6]N[6]C)(N[6]C[6]H)(O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	117.8690	1.146	2	117.8690	1.312	2	117.2783	1.703	3	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	N[5,6]-3:C[6]-3:O-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]N[6]C)(O)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6])(H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]H){1|O<1>,2|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]N[6]C)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6])(H)	121.4830	0.000	1	121.4830	0.000	1	121.4830	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	N[5,6]-3:C[6]-3:O-1:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]N[5,6]O)(N[6]C[6]O)(CC[6a]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]O)(CC[6a]H){1|O<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]C)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	126.2350	0.000	1	126.2350	0.000	1	126.2350	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	N[6]-3:C[6]-3:O-1:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]2)(CC[6a]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]N[6]O)(N[6]C[6]2)(CC[6a]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](N[6]C[6a]C[6])(C[6]N[6]C)(O){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	117.1860	0.000	1	117.1860	0.000	1	118.1187	1.423	3	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	N[6]-3:C[6]-3:O-1:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H)	C[6](N[6]C[5,6]H)(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H){1|C<4>,1|H<1>,1|O<1>}	C[6](N[6]C[5,6]H)(C[6]N[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	118.5850	1.242	2	118.5850	1.542	2	118.1187	1.423	3	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[5,6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[5,6]C[5,6]O[5])(C[6]C[6,6a]H)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(H)	C(C[6]N[5,6]C[6])(NCH)(O)	C[6](N[5,6]C[5,6]O[5])(C[6]C[6,6a]H)(CNO){1|In<6>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(H){1|H<1>,1|O<2>,3|C<3>}	C(C[6]N[5,6]C[6])(NCH)(O)	118.8270	0.000	1	118.8270	0.000	1	118.8270	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)	C[6](C[6]N[6,6]C)(C[6]C[6]H)(H)	C(C[6]N[6,6]C[6])(CCH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]N[6,6]C[6])(CCH)(H)	122.5930	0.000	1	122.5930	0.000	1	122.0930	0.252	3	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)	C[6](C[6]N[6,6]C)(C[6]C[6]H)(H)	C(C[6]N[6,6]C[6])(CC[6a]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]N[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]N[6,6]C[6])(CC[6a]H)(H)	121.8430	0.359	2	121.8430	0.129	2	122.0930	0.252	3	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:Br-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]Br)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[5]N[5]S[5])(C[6]C[6]N[6])(Br)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]Br){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C(C[5]N[5]S[5])(C[6]C[6]N[6])(Br)	118.8520	0.000	1	118.8520	0.000	1	118.8520	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:Cl-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]Cl)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[5]N[5]S[5])(C[6]C[6]N[6])(Cl)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]Cl){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C(C[5]N[5]S[5])(C[6]C[6]N[6])(Cl)	122.0220	0.000	1	122.0220	0.000	1	122.0220	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]H)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[5]N[5]S[5])(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C(C[5]N[5]S[5])(C[6]C[6]N[6])(H)	128.2050	0.000	1	128.2050	0.000	1	126.5135	5.722	2	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]H)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[5]Se[5]N[5])(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C(C[5]Se[5]N[5])(C[6]C[6]N[6])(H)	124.8220	0.000	1	124.8220	0.000	1	126.5135	5.722	2	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:O-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[5]C[5,6]N[5])(C[6]C[6]N[6])(O)	116.9820	0.000	1	116.9820	0.000	1	116.9820	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[5a]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[5a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)	118.6960	0.000	1	119.4603	1.111	4	119.4603	1.111	4	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[5a]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[5a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(H)	119.7150	1.130	3	119.4603	1.111	4	119.4603	1.111	4	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:O-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[5a]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(O)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[5a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(O)	117.2300	0.000	1	117.2300	0.000	1	116.7490	0.463	2	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:O-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[5a]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(O)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[5a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(O)	116.2680	0.000	1	116.2680	0.000	1	116.7490	0.463	2	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:Cl-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CClC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CIrH)(Cl)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CClC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CIrH)(Cl)	128.7770	0.000	1	128.7770	0.000	1	128.7770	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CHH)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CCH){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CHH)(H)	121.5650	0.000	1	121.5650	0.000	1	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Al<4>,2|C<3>}	C(C[6]C[6]N[6])(CCO)(H)	117.2390	0.199	2	117.1360	0.052	3	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Al<5>,2|C<3>}	C(C[6]C[6]N[6])(CCO)(H)	116.9300	0.000	1	117.1360	0.052	3	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Al<4>,2|C<3>}	C(C[6]C[6]N[6])(CC[6a]N)(H)	116.6312	0.255	4	116.6312	0.065	4	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Al<4>,2|C<3>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	117.0660	0.000	1	117.0660	0.000	1	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	120.1790	0.833	2	120.1790	0.694	2	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCH)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(CCH)(H)	120.9430	0.000	1	120.9430	0.000	1	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[5a]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(CC[5a]H)(H)	120.9030	0.363	2	120.9030	0.132	2	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	120.5972	1.340	20	120.5972	1.797	20	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	120.7345	0.736	2	120.7345	0.542	2	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cd<5>,2|C<3>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	122.3290	0.147	2	122.3307	0.205	8	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cd<6>,2|C<3>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	122.3313	0.532	6	122.3307	0.205	8	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	120.7445	0.094	2	120.7445	0.009	2	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CCO)(H)	123.2713	0.106	3	123.2713	0.011	3	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	125.2910	0.000	1	125.2910	0.000	1	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	122.7568	0.101	6	122.7568	0.010	6	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCN)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ni<4>,2|C<3>}	C(C[6]C[6]N[6])(CCN)(H)	116.1535	0.810	2	116.1535	0.656	2	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]Os)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(COsO)(H)	C[6](N[6]C[6,6a]Os)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Os<7>,2|C<3>}	C(C[6]C[6]N[6])(COsO)(H)	120.7550	0.000	1	120.7550	0.000	1	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Zn<4>,2|C<3>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	117.5270	0.000	1	117.5270	0.000	1	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CCO)(H)	119.0720	0.828	4	119.0720	0.685	4	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	118.4790	0.000	1	118.4790	0.000	1	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CCO)(H)	119.5918	0.415	4	119.5918	0.173	4	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]N)(H)	119.2795	0.470	2	119.2795	0.221	2	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CCO)(H)	119.7730	0.000	1	119.2057	0.480	3	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CCO)(H)	118.9220	0.690	2	119.2057	0.480	3	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6]H)(H)	122.6320	0.000	1	122.6320	0.000	1	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]N)(H)	119.6555	0.298	2	119.6555	0.089	2	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	118.8560	0.181	2	118.8560	0.033	2	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CHN)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CHN)(H)	118.5620	0.000	1	118.5620	0.000	1	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]Fe)(H)	125.1630	0.117	2	125.1630	0.014	2	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]N)(H)	119.2270	0.610	2	119.2270	0.372	2	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]Ir)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]Ir)(H)	126.6640	0.000	1	126.6640	0.000	1	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CIrC)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CIrC)(H)	123.4720	0.000	1	123.4720	0.000	1	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CIrH)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CIrH)(H)	125.6640	0.000	1	125.6640	0.000	1	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]N)(H)	119.6680	0.363	2	119.6680	0.132	2	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Os)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(COsH)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(COsH)(H)	125.2815	0.590	2	125.7778	0.636	6	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Os)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(COsH)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(COsH)(H)	126.4093	0.405	3	125.7778	0.636	6	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Os)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(COsH)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<9>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(COsH)(H)	124.8760	0.000	1	125.7778	0.636	6	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Os)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(COsO)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(COsO)(H)	124.4310	0.000	1	124.4310	0.000	1	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Pb)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Pb)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pb<3>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]N)(H)	119.7400	0.744	2	119.7400	0.553	2	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CCO)(H)	118.8824	0.467	5	118.8824	0.218	5	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	122.9910	0.000	1	122.9910	0.000	1	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CFePd)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CFePd)(H)	124.6750	0.000	1	124.6750	0.000	1	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCH)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CCH)(H)	120.5740	0.000	1	120.5740	0.000	1	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CCO)(H)	119.0245	0.697	2	119.0245	0.485	2	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]Pt)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]Pt)(H)	127.4886	1.208	5	127.4886	1.458	5	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CPtH)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(CPtH)(H)	125.9990	0.000	1	125.9990	0.000	1	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CReH)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CReH)(H)	126.0810	0.000	1	126.0810	0.000	1	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CRhC)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CRhC)(H)	125.9220	0.000	1	125.9220	0.000	1	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCP)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CCP)(H)	119.0360	0.000	1	117.3093	2.255	3	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCP)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CCP)(H)	116.4460	0.194	2	117.3093	2.255	3	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	119.2097	0.710	4	119.2097	0.504	4	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CHN)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(CHN)(H)	118.0280	0.000	1	118.0280	0.000	1	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CRuH)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CRuH)(H)	126.2905	0.401	2	126.2905	0.161	2	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<3>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]N)(H)	121.2355	0.231	2	121.2355	0.053	2	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CCO)(H)	118.7360	0.000	1	119.5980	0.530	4	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CCO)(H)	120.5120	0.000	1	119.5980	0.530	4	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CCO)(H)	119.5720	0.095	2	119.5980	0.530	4	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]N)(H)	120.8910	0.000	1	120.8910	0.000	1	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	119.1750	0.499	6	119.1750	0.249	6	120.9914	8.205	139	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:O-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCH)(O)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CCH)(O)	116.8400	0.000	1	116.8400	0.000	1	116.8400	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[4a]-3:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[4a]H)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[4a]C[4a]2)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[4a]H){1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(C[4a]C[4a]2)(H)	122.1540	0.000	1	122.1540	0.000	1	122.1540	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[5]N[5]2)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[5]N[5]2)(H)	119.8810	0.000	1	119.8810	0.000	1	119.7430	0.038	2	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[5]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[5]N[5]2)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[5]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[5]N[5]2)(H)	119.6050	0.000	1	119.6050	0.000	1	119.7430	0.038	2	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])2(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])2(O)	116.3850	0.130	2	116.3850	0.017	2	117.9921	2.286	25	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])2(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])2(O)	117.8015	0.162	2	117.4665	0.158	4	117.9921	2.286	25	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])2(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]O){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])2(O)	117.1315	0.005	2	117.4665	0.158	4	117.9921	2.286	25	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])2(O)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]O){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])2(O)	117.0680	0.028	2	117.0680	0.001	2	117.9921	2.286	25	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])2(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]O){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])2(O)	116.0030	0.000	1	116.0030	0.000	1	117.9921	2.286	25	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])2(O)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])2(O)	118.6106	1.679	14	118.5642	2.481	16	117.9921	2.286	25	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])2(O)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])2(O)	118.2395	0.568	2	118.5642	2.481	16	117.9921	2.286	25	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	115.9050	2.083	5	115.9050	4.341	5	116.9198	3.702	9	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	117.8485	0.384	2	117.8485	0.147	2	116.9198	3.702	9	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	118.3610	0.000	1	118.5280	0.056	2	116.9198	3.702	9	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	118.6950	0.000	1	118.5280	0.056	2	116.9198	3.702	9	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:Cl-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CClN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(Cl)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CClN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Co)(Cl)	125.7780	0.982	8	125.7780	0.965	8	125.7780	0.965	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6,6]Ti)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ti)(H)	C[6](N[6]C[6,6]Ti)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ti<12>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(NC[6a]Ti)(H)	125.9780	0.000	1	127.4825	4.527	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6,6]Ti)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ti)(H)	C[6](N[6]C[6,6]Ti)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ti<8>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(NC[6a]Ti)(H)	128.9870	0.000	1	127.4825	4.527	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NAgN)(H)	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ag<6>,2|C<3>}	C(C[6]C[6]N[6])(NAgN)(H)	117.5895	0.766	2	117.5895	0.586	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cd)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cd<8>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Cd)(H)	119.6517	0.252	3	119.6517	0.063	3	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCdC)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cd<5>,2|C<3>}	C(C[6]C[6]N[6])(NCdC)(H)	120.4930	0.000	1	120.4930	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Cu)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	C(C[6]C[6]N[6])(NC[6]Cu)(H)	119.3490	0.000	1	119.3490	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuC)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	C(C[6]C[6]N[6])(NCuC)(H)	121.5305	0.449	2	121.2380	0.192	4	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuC)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	C(C[6]C[6]N[6])(NCuC)(H)	120.9455	0.177	2	121.2380	0.192	4	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuN)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	C(C[6]C[6]N[6])(NCuN)(H)	129.9200	0.000	1	129.9200	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Fe)(H)	123.2430	0.270	2	123.2430	0.073	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Hg)(H)	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Hg<4>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Hg)(H)	118.9012	0.894	5	118.9012	0.799	5	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ir)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ir<8>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Ir)(H)	122.6910	0.000	1	122.6910	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NIrN)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ir<7>,2|C<3>}	C(C[6]C[6]N[6])(NIrN)(H)	121.1870	0.000	1	121.1870	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Mn)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	C(C[6]C[6]N[6])(NC[6]Mn)(H)	119.7502	0.123	4	119.7502	0.015	4	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Mn)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Mn)(H)	121.0560	1.063	7	121.0560	1.129	7	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnC)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	C(C[6]C[6]N[6])(NMnC)(H)	120.4050	0.000	1	120.4050	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnN)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	C(C[6]C[6]N[6])(NMnN)(H)	119.6713	0.782	12	119.6713	0.611	12	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Ni)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ni<5>,2|C<3>}	C(C[6]C[6]N[6])(NC[6]Ni)(H)	119.4270	1.073	4	119.4270	1.151	4	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ni<5>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	119.7415	0.917	2	119.7415	0.841	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Pd)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pd<4>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Pd)(H)	125.0070	6.739	2	125.0070	45.410	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Zn<4>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	119.6990	1.200	4	119.6990	1.440	4	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[3x6]Ag)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[3x6]Ag)(H)	117.8120	0.000	1	117.8120	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ag)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ag)(H)	119.9630	0.141	2	119.9630	0.020	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Al)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Al)(H)	125.3783	0.417	4	125.3783	0.174	4	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCaC)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ca<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCaC)(H)	120.0003	0.245	3	120.0003	0.060	3	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCaN)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ca<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCaN)(H)	119.7575	0.278	2	119.7575	0.077	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Cd)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Cd)(H)	120.6620	0.000	1	120.6620	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cd)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cd)(H)	122.4980	0.000	1	121.0540	0.597	7	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cd)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cd)(H)	121.1110	0.300	2	121.0540	0.597	7	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cd)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cd)(H)	120.8630	0.273	2	121.0540	0.597	7	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cd)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cd)(H)	120.9950	0.000	1	121.0540	0.597	7	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cd)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cd)(H)	119.9370	0.000	1	121.0540	0.597	7	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCdC)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCdC)(H)	121.8180	0.000	1	121.4135	0.327	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCdC)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCdC)(H)	121.0090	0.000	1	121.4135	0.327	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCdN)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCdN)(H)	121.6040	0.000	1	121.7330	0.033	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCdN)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCdN)(H)	121.8620	0.000	1	121.7330	0.033	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCdO)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCdO)(H)	121.1190	0.636	2	121.1190	0.405	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Co)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Co)(H)	125.5500	0.000	1	122.9203	5.268	3	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Co)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Co)(H)	121.6055	0.404	2	122.9203	5.268	3	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Co)(H)	124.9633	1.066	6	125.7616	7.912	39	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Co)(H)	124.8777	1.178	3	125.7616	7.912	39	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Co)(H)	121.9456	0.291	9	125.7616	7.912	39	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Co)(H)	130.6475	0.827	2	125.7616	7.912	39	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Co)(H)	130.1293	0.484	4	125.7616	7.912	39	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Co)(H)	126.7311	1.027	15	125.7616	7.912	39	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCo2)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCo2)(H)	125.5180	0.000	1	125.5180	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoC)(H)	121.4405	0.750	2	121.9742	4.350	19	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoC)(H)	120.5624	1.090	5	121.9742	4.350	19	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoC)(H)	123.7576	1.774	8	121.9742	4.350	19	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoC)(H)	121.3710	0.887	2	121.9742	4.350	19	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoC)(H)	119.5065	1.126	2	121.9742	4.350	19	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoN)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoN)(H)	121.5710	0.000	1	122.8655	2.484	6	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoN)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoN)(H)	123.1244	1.613	5	122.8655	2.484	6	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoO)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoO)(H)	122.5820	0.703	2	122.5820	0.494	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Cr)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Cr)(H)	125.8230	0.150	2	125.8230	0.022	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cr)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cr)(H)	124.6845	0.363	2	125.3136	2.608	8	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cr)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cr)(H)	123.4525	0.540	2	125.3136	2.608	8	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cr)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cr)(H)	125.5730	0.102	2	125.3136	2.608	8	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cr)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cr)(H)	127.5445	0.111	2	125.3136	2.608	8	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCrC)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCrC)(H)	123.8335	0.107	2	123.5475	0.195	6	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCrC)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCrC)(H)	123.6117	0.320	3	123.5475	0.195	6	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCrC)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,2|C<3>}	C(C[6]C[6]N[6])(NCrC)(H)	122.7830	0.000	1	123.5475	0.195	6	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[3]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[3]Cu)(H)	122.4260	0.000	1	122.4260	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Cu)(H)	122.3125	0.193	2	122.7257	0.531	3	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Cu)(H)	123.5520	0.000	1	122.7257	0.531	3	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cu)(H)	121.0460	0.000	1	122.7293	1.821	21	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cu)(H)	122.4995	0.934	13	122.7293	1.821	21	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cu)(H)	122.7645	0.712	6	122.7293	1.821	21	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cu)(H)	127.1890	0.000	1	122.7293	1.821	21	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuC)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuC)(H)	127.1930	0.659	2	123.1583	2.078	30	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuC)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuC)(H)	121.9050	0.000	1	123.1583	2.078	30	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuC)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuC)(H)	122.1677	0.374	3	123.1583	2.078	30	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuC)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuC)(H)	123.4099	0.840	12	123.1583	2.078	30	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuC)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuC)(H)	122.4880	0.018	2	123.1583	2.078	30	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuC)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuC)(H)	121.1415	0.853	2	123.1583	2.078	30	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuC)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuC)(H)	122.9720	0.748	8	123.1583	2.078	30	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuN)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuN)(H)	125.8173	2.613	4	122.8298	6.806	13	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuN)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuN)(H)	121.5020	1.097	9	122.8298	6.806	13	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuO)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuO)(H)	123.0675	0.141	2	123.6232	2.468	22	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuO)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuO)(H)	123.6788	1.640	20	123.6232	2.468	22	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NN[6]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NN[6]Cu)(H)	120.8090	0.000	1	120.8090	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NEuC)(H)	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Eu<10>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NEuC)(H)	121.4215	0.832	2	121.4215	0.693	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(H)	130.4310	0.048	2	125.3768	9.700	46	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(H)	125.3220	1.055	9	125.3768	9.700	46	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(NC[6a]Fe)(H)	124.1585	1.479	2	125.3768	9.700	46	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(H)	123.1070	1.297	23	125.3768	9.700	46	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(H)	130.8940	0.185	4	125.3768	9.700	46	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(H)	130.6110	0.253	2	125.3768	9.700	46	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(H)	128.4990	0.171	4	125.3768	9.700	46	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeC)(H)	121.3150	0.000	1	122.1545	4.478	89	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeC)(H)	120.7235	0.960	55	122.1545	4.478	89	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeC)(H)	125.3770	0.865	2	122.1545	4.478	89	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeC)(H)	124.2794	1.208	22	122.1545	4.478	89	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|O<2>}	C(C[6]C[6]N[6])(NFeC)(H)	125.3897	0.321	6	122.1545	4.478	89	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	C(C[6]C[6]N[6])(NFeC)(H)	124.4690	0.223	3	122.1545	4.478	89	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeH)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeH)(H)	123.9120	0.000	1	123.9120	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeN)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeN)(H)	122.5760	0.412	2	123.0977	1.750	13	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeN)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeN)(H)	123.7108	0.928	9	123.0977	1.750	13	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeN)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeN)(H)	120.8605	0.103	2	123.0977	1.750	13	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Hg)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Hg)(H)	119.7260	0.000	1	119.7260	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ir)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ir)(H)	123.2990	1.094	6	123.3513	0.631	13	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ir)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ir)(H)	123.3961	0.511	7	123.3513	0.631	13	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NIrC)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NIrC)(H)	123.0680	0.542	2	123.5770	0.924	3	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NIrC)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NIrC)(H)	124.5950	0.000	1	123.5770	0.924	3	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NIrO)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NIrO)(H)	123.8495	1.470	2	123.8495	2.161	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Mg)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Mg)(H)	123.0735	0.115	2	123.0735	0.013	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Mn)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Mn)(H)	120.7195	0.730	2	121.0938	0.441	4	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Mn)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Mn)(H)	121.4680	0.479	2	121.0938	0.441	4	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Mn)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Mn)(H)	120.2710	0.000	1	122.5604	1.336	14	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Mn)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Mn)(H)	121.2240	0.000	1	122.5604	1.336	14	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Mn)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Mn)(H)	122.6560	0.000	1	122.5604	1.336	14	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Mn)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Mn)(H)	123.4305	0.237	4	122.5604	1.336	14	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Mn)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Mn)(H)	122.7945	0.997	6	122.5604	1.336	14	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Mn)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Mn)(H)	121.2050	0.000	1	122.5604	1.336	14	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnC)(H)	120.1060	0.000	1	122.8604	2.308	33	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnC)(H)	122.0136	0.885	14	122.8604	2.308	33	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnC)(H)	122.3230	0.000	1	122.8604	2.308	33	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,2|C<3>}	C(C[6]C[6]N[6])(NMnC)(H)	120.9550	0.197	3	122.8604	2.308	33	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnC)(H)	124.8210	0.293	4	122.8604	2.308	33	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnC)(H)	123.6885	0.028	2	122.8604	2.308	33	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnC)(H)	124.2811	0.481	8	122.8604	2.308	33	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnN)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnN)(H)	120.5980	0.000	1	120.5980	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnO)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnO)(H)	120.9380	0.192	4	120.9380	0.037	4	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Mo)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Mo)(H)	122.6420	1.243	2	122.3648	0.786	6	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Mo)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Mo)(H)	122.2262	0.847	4	122.3648	0.786	6	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMoC)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMoC)(H)	122.5430	0.000	1	122.8263	0.248	3	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMoC)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMoC)(H)	122.9680	0.612	2	122.8263	0.248	3	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Nd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNdN)(H)	C[6](N[6]C[6]Nd)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Nd<16>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNdN)(H)	119.8430	0.006	2	119.8430	0.000	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Ni)(H)	125.7090	0.000	1	125.7090	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	124.8046	1.355	5	123.4583	3.256	48	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	124.9380	0.000	1	123.4583	3.256	48	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	124.5523	1.044	7	123.4583	3.256	48	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	123.3040	0.409	2	123.4583	3.256	48	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	121.8846	0.939	22	123.4583	3.256	48	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	124.6233	1.090	3	123.4583	3.256	48	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	125.3688	0.667	5	123.4583	3.256	48	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	125.4623	1.972	3	123.4583	3.256	48	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiC)(H)	127.1030	0.000	1	123.6269	3.524	45	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiC)(H)	125.5930	0.068	3	123.6269	3.524	45	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiC)(H)	122.8160	1.060	29	123.6269	3.524	45	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	C(C[6]C[6]N[6])(NNiC)(H)	121.4727	0.513	3	123.6269	3.524	45	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiC)(H)	125.9164	1.550	9	123.6269	3.524	45	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiN)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiN)(H)	122.3855	2.269	8	122.9268	3.599	35	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiN)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiN)(H)	127.2053	0.597	3	122.9268	3.599	35	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiN)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiN)(H)	122.5724	1.050	24	122.9268	3.599	35	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiO)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiO)(H)	119.8663	0.773	6	121.5012	1.824	21	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiO)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiO)(H)	120.7153	0.298	3	121.5012	1.824	21	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiO)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiO)(H)	122.5151	0.530	12	121.5012	1.824	21	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Os)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<9>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Os)(H)	124.7000	0.000	1	124.7000	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NOsC)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<9>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NOsC)(H)	124.1520	0.000	1	124.1520	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Pb)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NPbN)(H)	C[6](N[6]C[6]Pb)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pb<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NPbN)(H)	120.7110	0.000	1	120.7110	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[5]Pd)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[5]Pd)(H)	120.7875	0.428	2	120.7875	0.183	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Pd)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Pd)(H)	122.0327	1.098	7	122.1356	0.957	9	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Pd)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Pd)(H)	122.7050	0.000	1	122.1356	0.957	9	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Pd)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Pd)(H)	122.2860	0.000	1	122.1356	0.957	9	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NPdC)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NPdC)(H)	123.0930	0.000	1	123.0930	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NPdN)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NPdN)(H)	123.8100	0.000	1	123.8100	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NPdO)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NPdO)(H)	123.1680	0.000	1	123.1680	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Pt)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Pt)(H)	124.6480	0.290	2	122.8978	1.535	8	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Pt)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Pt)(H)	123.1310	0.000	1	122.8978	1.535	8	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Pt)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Pt)(H)	122.1510	0.650	5	122.8978	1.535	8	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NPtC)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NPtC)(H)	124.5600	0.767	4	124.1992	1.092	5	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NPtC)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NPtC)(H)	122.7560	0.000	1	124.1992	1.092	5	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NPtH)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NPtH)(H)	125.4860	0.000	1	125.4860	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[3x6]Re)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[3x6]Re)(H)	122.2210	0.000	1	122.2210	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Re)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Re)(H)	122.5656	0.910	7	122.5656	0.828	7	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NReC)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NReC)(H)	123.3512	0.825	12	123.3512	0.681	12	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NReN)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NReN)(H)	123.3342	1.728	5	123.3342	2.985	5	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Rh)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Rh)(H)	124.0715	1.242	2	124.0715	1.544	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NRhC)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NRhC)(H)	128.4300	0.529	2	128.4300	0.280	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ru)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ru)(H)	120.9310	0.000	1	123.1520	1.918	5	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ru)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ru)(H)	123.7073	0.708	4	123.1520	1.918	5	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NRuC)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NRuC)(H)	123.4200	0.553	2	123.3280	0.178	3	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NRuC)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NRuC)(H)	123.1440	0.000	1	123.3280	0.178	3	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NRuN)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NRuN)(H)	123.7330	0.000	1	123.7330	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NRuS)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NRuS)(H)	122.1580	0.000	1	122.1580	0.000	1	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NSmC)(H)	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sm<10>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NSmC)(H)	119.3915	1.339	2	119.3915	1.792	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[5]Sn)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[5]Sn)(H)	122.8125	0.361	2	122.8125	0.131	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Sn)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Sn)(H)	122.1480	1.079	7	122.1480	1.164	7	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Zn)(H)	122.6850	0.000	1	122.4925	0.074	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Zn)(H)	122.3000	0.000	1	122.4925	0.074	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>}	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	124.9200	0.000	1	122.5190	1.156	104	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	121.3301	1.463	7	122.5190	1.156	104	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	122.2865	0.925	23	122.5190	1.156	104	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	122.4890	0.560	4	122.5190	1.156	104	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	122.0088	0.406	38	122.5190	1.156	104	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	122.2910	0.687	8	122.5190	1.156	104	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Zn)(H)	123.9366	0.406	23	122.5190	1.156	104	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NZnC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NZnC)(H)	121.5380	0.000	1	121.1344	2.251	43	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NZnC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NZnC)(H)	119.8911	0.411	20	121.1344	2.251	43	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NZnC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NZnC)(H)	123.1137	0.701	3	121.1344	2.251	43	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NZnC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NZnC)(H)	122.6241	1.628	9	121.1344	2.251	43	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NZnC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NZnC)(H)	121.5428	0.487	5	121.1344	2.251	43	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NZnC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|O<2>}	C(C[6]C[6]N[6])(NZnC)(H)	122.2803	0.517	3	121.1344	2.251	43	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NZnC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,2|C<3>}	C(C[6]C[6]N[6])(NZnC)(H)	120.9520	0.000	2	121.1344	2.251	43	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NZnN)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NZnN)(H)	120.5250	0.000	1	121.6857	0.333	13	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NZnN)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NZnN)(H)	121.0375	0.349	2	121.6857	0.333	13	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NZnN)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NZnN)(H)	121.9314	0.346	10	121.6857	0.333	13	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NZnO)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NZnO)(H)	121.7032	0.285	5	121.7032	0.081	5	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]N[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoC)(H)	C[6](N[6]N[6]Co)(C[6]C[6]H)(CHN){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|N<3>}	C(C[6]C[6]N[6])(NCoC)(H)	124.4567	0.123	4	124.4567	0.015	4	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]N[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cu)(H)	C[6](N[6]N[6]Cu)(C[6]C[6]H)(CHN){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|N<3>}	C(C[6]C[6]N[6])(NC[6a]Cu)(H)	123.7378	0.617	4	123.7378	0.380	4	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](N[6]N[6]Pd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Pd)(H)	C[6](N[6]N[6]Pd)(C[6]C[6]H)(CHN){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|N<3>}	C(C[6]C[6]N[6])(NC[6a]Pd)(H)	125.8640	0.549	2	125.8640	0.301	2	122.8000	4.922	909	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCH)(O)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	C(C[6]C[6]N[6])(NCH)(O)	117.4910	0.899	2	117.4910	0.809	2	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cu)(O)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<6>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Cu)(O)	118.6810	0.000	1	118.6810	0.000	1	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuC)(O)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	C(C[6]C[6]N[6])(NCuC)(O)	121.8307	4.108	3	121.8307	16.877	3	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(O)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Fe)(O)	120.1145	0.156	2	120.1145	0.024	2	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeC)(O)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	C(C[6]C[6]N[6])(NFeC)(O)	120.0160	0.000	1	120.0160	0.000	1	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CNO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnC)(O)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	C(C[6]C[6]N[6])(NMnC)(O)	120.9220	0.000	1	120.9220	0.000	1	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CNO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Pd)(O)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pd<4>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Pd)(O)	116.9920	0.000	1	116.9920	0.000	1	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CNO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ru)(O)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ru<6>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Ru)(O)	118.0070	0.000	1	120.1333	1.719	8	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CNO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ru)(O)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ru<9>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Ru)(O)	120.4370	1.070	7	120.1333	1.719	8	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Al)(O)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Al)(O)	121.7420	0.286	4	121.7420	0.082	4	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Co)(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Co)(O)	122.6025	2.094	6	125.0668	5.964	25	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Co)(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Co)(O)	122.6783	0.531	3	125.0668	5.964	25	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Co)(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Co)(O)	126.4387	1.570	16	125.0668	5.964	25	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Co)(O)	121.0840	0.000	1	124.4579	7.294	74	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Co)(O)	122.6319	0.762	36	124.4579	7.294	74	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Co)(O)	126.3257	2.644	37	124.4579	7.294	74	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoC)(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoC)(O)	122.3117	0.565	6	124.6559	5.968	15	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoC)(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	C(C[6]C[6]N[6])(NCoC)(O)	123.8720	0.550	3	124.6559	5.968	15	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoC)(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoC)(O)	127.3922	0.568	6	124.6559	5.968	15	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cr)(O)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cr)(O)	121.6011	0.589	20	121.6011	0.347	20	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cu)(O)	126.1070	0.687	2	126.1070	0.472	2	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[5a]Cu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[5a]Cu)(O)	122.6490	0.000	1	125.5576	2.768	5	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[5a]Cu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[5a]Cu)(O)	126.2848	0.407	4	125.5576	2.768	5	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Cu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Cu)(O)	118.7995	0.340	2	118.9490	0.125	3	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Cu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Cu)(O)	119.2480	0.000	1	118.9490	0.125	3	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cu)(O)	121.7640	0.000	1	125.5213	5.920	26	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cu)(O)	121.1982	1.069	5	125.5213	5.920	26	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cu)(O)	126.7900	0.440	20	125.5213	5.920	26	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuC)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuC)(O)	126.0620	0.000	1	123.4602	5.205	18	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuC)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuC)(O)	122.1335	0.649	13	123.4602	5.205	18	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuC)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuC)(O)	127.1215	0.230	4	123.4602	5.205	18	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuN)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuN)(O)	121.6440	0.043	3	121.6440	0.002	3	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]N[6])(NC[6a]Cu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|N<2>,2|H<1>}	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>}	C(C[6]C[6]N[6])(NC[6a]Cu)(O)	123.1640	1.369	2	123.1640	1.874	2	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCH)(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCH)(O)	121.4690	0.000	1	121.4690	0.000	1	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Fe)(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Fe)(O)	122.0265	0.194	2	122.0265	0.038	2	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(O)	120.9550	0.464	2	121.9936	0.634	47	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(O)	120.8590	0.061	2	121.9936	0.634	47	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(O)	122.1318	0.720	42	121.9936	0.634	47	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(O)	120.5360	0.000	1	121.9936	0.634	47	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeC)(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeC)(O)	122.6306	1.125	30	122.7708	1.600	33	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeC)(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeC)(O)	121.8930	0.000	1	122.7708	1.600	33	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeC)(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeC)(O)	125.3130	0.486	2	122.7708	1.600	33	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeN)(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeN)(O)	125.0140	0.072	2	125.0140	0.005	2	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ir)(O)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ir)(O)	122.6070	0.000	1	122.2833	0.185	6	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ir)(O)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ir)(O)	122.2186	0.447	5	122.2833	0.185	6	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NIrC)(O)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NIrC)(O)	121.8330	0.000	1	121.8330	0.000	1	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NIrH)(O)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NIrH)(O)	122.2010	0.140	2	122.2010	0.020	2	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCC)(O)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCC)(O)	118.1140	0.000	1	118.1140	0.000	1	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCH)(O)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCH)(O)	118.4770	0.000	1	118.4770	0.000	1	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Mn)(O)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Mn)(O)	121.8194	1.117	7	121.8194	1.247	7	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnC)(O)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnC)(O)	123.0493	0.452	6	123.0493	0.204	6	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnN)(O)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnN)(O)	123.5160	0.330	2	123.5160	0.109	2	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(O)	125.0545	0.739	2	125.0545	0.546	2	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Ni)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Ni)(O)	121.9560	0.000	1	124.0271	1.047	7	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Ni)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Ni)(O)	124.3723	0.506	6	124.0271	1.047	7	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(O)	123.0900	0.699	6	126.2447	7.845	46	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(O)	121.5460	0.572	7	126.2447	7.845	46	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(O)	128.2579	0.432	29	126.2447	7.845	46	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(O)	124.8480	0.305	2	126.2447	7.845	46	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(O)	124.3595	0.715	2	126.2447	7.845	46	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiC)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiC)(O)	123.2742	0.320	6	124.1667	6.195	10	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiC)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiC)(O)	122.2220	0.235	2	124.1667	6.195	10	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiC)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiC)(O)	128.7890	0.342	2	124.1667	6.195	10	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiO)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiO)(O)	125.2010	0.170	4	125.2010	0.029	4	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|O<2>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(O)	127.3285	0.366	2	127.3285	0.134	2	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[5]Pd)(O)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[5]Pd)(O)	121.5942	0.557	6	121.5942	0.310	6	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Pd)(O)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Pd)(O)	121.4770	0.000	1	124.0023	6.363	3	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Pd)(O)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Pd)(O)	125.2650	1.778	2	124.0023	6.363	3	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Pd)(O)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Pd)(O)	121.1330	0.406	3	125.5902	4.305	19	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Pd)(O)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Pd)(O)	126.4259	0.652	16	125.5902	4.305	19	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NPdC)(O)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NPdC)(O)	121.0248	0.910	5	125.7805	6.063	26	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NPdC)(O)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NPdC)(O)	126.9129	0.643	21	125.7805	6.063	26	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NPdN)(O)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NPdN)(O)	121.5860	0.894	4	121.5860	0.800	4	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NPdC)(O)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNO){1|O<2>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NPdC)(O)	127.6990	1.796	2	127.6990	3.226	2	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Pt)(O)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Pt)(O)	124.6680	0.000	1	124.6680	0.000	1	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NPtC)(O)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NPtC)(O)	122.1002	2.021	5	122.1002	4.085	5	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NPtC)(O)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNO){1|O<2>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NPtC)(O)	128.3090	1.293	2	128.3090	1.671	2	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Rh)(O)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Rh)(O)	121.1040	0.000	1	121.1040	0.000	1	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NRhC)(O)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NRhC)(O)	120.9894	0.599	5	121.1985	0.549	6	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NRhC)(O)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NRhC)(O)	122.2440	0.000	1	121.1985	0.549	6	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Ru)(O)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Ru)(O)	122.4130	0.000	1	122.4130	0.000	1	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ru)(O)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ru)(O)	119.8770	0.000	1	122.3914	1.584	14	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ru)(O)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ru)(O)	122.1847	0.430	11	122.3914	1.584	14	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ru)(O)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ru)(O)	124.7850	0.699	2	122.3914	1.584	14	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Zn)(O)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Zn)(O)	121.0620	0.380	2	122.3460	1.070	6	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Zn)(O)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Zn)(O)	122.9880	0.294	4	122.3460	1.070	6	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]S)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Zn)(O)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNO){1|S<2>,2|C<3>}	C[6](C[6]C[6]S)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Zn)(O)	124.4884	0.645	8	124.4884	0.417	8	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]N[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuN)(O)	C[6](N[6]N[6]Cu)(C[6]C[6]H)(CNO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|N<3>}	C(C[6]C[6]N[6])(NCuN)(O)	121.4030	0.291	2	121.4030	0.085	2	123.7783	7.175	504	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:S-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CNS)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]H)(S)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6]H)(S)	122.2060	0.000	1	122.2060	0.000	1	122.2060	0.000	1	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)	118.4655	0.118	2	119.2010	1.630	3	121.4202	10.049	5	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)	120.6720	0.000	1	119.2010	1.630	3	121.4202	10.049	5	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]N[5])(H)	124.7490	0.000	2	124.7490	0.000	2	121.4202	10.049	5	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ORhH)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ORhH)(H)	120.7750	0.382	2	120.7750	0.146	2	120.7750	0.146	2	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-3:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCo2)(O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCo2)(O)	121.8360	0.000	1	121.8360	0.000	1	121.2991	0.920	9	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-3:O-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OFe2)(O)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OFe2)(O)	121.3370	0.000	1	121.3370	0.000	1	121.2991	0.920	9	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-3:O-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(COO)	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]N[6])(OLi2)(O)	C[6](N[6]C[6]Li)(C[6]C[6]H)(COO){1|N<2>,2|H<1>}	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Li<5>,1|C<3>}	C(C[6]C[6]N[6])(OLi2)(O)	123.0250	0.000	1	123.0250	0.000	1	121.2991	0.920	9	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-3:O-1:	C[6](N[6]C[6]Mg)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OMg2)(O)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Mg<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OMg2)(O)	120.4960	0.351	2	120.4960	0.123	2	121.2991	0.920	9	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-3:O-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ORu2)(O)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ORu2)(O)	120.9015	0.407	2	120.9015	0.165	2	121.2991	0.920	9	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-3:O-1:	C[6](N[6]N[6]Ca)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCa2)(O)	C[6](N[6]N[6]Ca)(C[6]C[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ca<8>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(OCa2)(O)	120.3030	0.000	1	120.3030	0.000	1	121.2991	0.920	9	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-3:O-1:	C[6](N[6]N[6]Li)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OLi2)(O)	C[6](N[6]N[6]Li)(C[6]C[6]H)(COO){1|Li<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<5>,1|C<3>,1|N<3>}	C(C[6]C[6]N[6])(OLi2)(O)	122.3960	0.000	1	122.3960	0.000	1	121.2991	0.920	9	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PC[6a]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]Cu)(H)	123.0110	0.123	2	123.0110	0.015	2	122.1535	0.480	13	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PC[6a]Ir)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]Ir)(H)	121.8400	0.307	3	121.7802	0.222	8	122.1535	0.480	13	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PC[6a]Ir)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]Ir)(H)	121.7444	0.581	5	121.7802	0.222	8	122.1535	0.480	13	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-3:H-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PCC)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PCC)(H)	123.3900	0.000	1	123.3900	0.000	1	122.1535	0.480	13	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-3:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PC[6a]Rh)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]Rh)(H)	122.1710	0.280	2	122.1710	0.078	2	122.1535	0.480	13	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Co)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Co)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoC)(O)	C[6](N[6]C[6]Co)(C[6]N[6]H)(CNO){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	C(C[6]C[6]N[6])(NCoC)(O)	123.5538	1.177	8	123.5538	1.386	8	123.5538	1.386	8	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH)	C[6](N[6]C[6,6a]C)(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]N[6]C)(O){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CCO)(H)	119.2830	0.000	1	119.2830	0.000	1	118.9714	0.109	5	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH)	C[6](N[6]C[6,6a]C)(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]N[6]C)(O){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	118.7860	0.000	1	118.7860	0.000	1	118.9714	0.109	5	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH)	C[6](N[6]C[6,6a]C)(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(COO)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]N[6]C)(O){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(COO)(H)	118.7705	0.383	2	118.7705	0.146	2	118.9714	0.109	5	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(O){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	119.2470	0.000	1	119.2470	0.000	1	118.9714	0.109	5	121.7096	8.649	4017	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC)	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]C)(H)	C(C[6]C[6,6a]C[6])(CC[6a]O)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]C)(H){4|C<3>}	C(C[6]C[6,6a]C[6])(CC[6a]O)(CN)	120.4660	0.000	1	120.4660	0.000	1	120.4660	0.000	1	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[5]C)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C(C[6]C[6,6a]C[6])(C[5]N[5]S[5])(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[5]C){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C(C[6]C[6,6a]C[6])(C[5]N[5]S[5])(CN)	120.6180	0.000	1	120.6180	0.000	1	120.6180	0.000	1	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CNO)	C[6](C[6]C[6,6a]C)(N[6]C[6]Mg)(H)	C(C[6]C[6,6a]C[6])(NC[3x6]H)(OMg)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CNO){1|Mg<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]Mg)(H){2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(NC[3x6]H)(OMg)	118.5930	0.689	2	118.5930	0.474	2	118.5930	0.474	2	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C-3:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCC)	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(O)	C(C[6]C[6,6a]C[6])(CC[6a]O)(CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCC){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(O){1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(CC[6a]O)(CC)	117.3790	0.000	1	117.3790	0.000	1	117.3790	0.000	1	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C-3:O-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCO)	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(O)	C(C[6]C[6,6a]C[6])(COO)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(COO)(OC)	114.6940	0.000	1	114.6940	0.000	1	114.6940	0.000	1	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(CCH)(OH)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(CCH)(OH)	117.7880	0.000	1	117.7880	0.000	1	117.7880	0.000	1	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-2:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(COO)(CN)	C[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(COO)(CN)	121.5232	2.703	12	121.5232	7.304	12	121.8658	4.143	26	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-2:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(COO)(CN)	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(COO)(CN)	122.4347	1.314	6	122.5755	2.098	8	121.8658	4.143	26	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-2:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(COO)(CN)	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(COO)(CN)	122.9980	2.363	2	122.5755	2.098	8	121.8658	4.143	26	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-2:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(CN)	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CC[6a]H)(CN)	121.6047	0.735	6	121.6047	0.540	6	121.8658	4.143	26	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:O-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CCH)(ORu)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CCH)(ORu)	118.8255	1.131	2	118.8255	1.278	2	120.4747	3.311	12	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:O-2:	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CCH)(OPt)	C[6](C[6]C[6]H)2(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(CCH)(OPt)	121.2005	2.698	2	121.2005	7.277	2	120.4747	3.311	12	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:O-2:	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CCH)(OFe)	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCH)(OFe)	120.8837	1.966	6	120.8837	3.867	6	120.4747	3.311	12	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:O-2:	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CCH)(OIr)	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCH)(OIr)	120.1715	0.921	2	120.1715	0.849	2	120.4747	3.311	12	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:S-2:	C[6](C[6]C[6]H)2(CCS)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CHS)(SNi)	C[6](C[6]C[6]H)2(CCS){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CHS)(SNi)	121.5913	0.759	4	121.5913	0.577	4	121.5913	0.577	4	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-2:	C[6](C[6]C[6]H)2(CNN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(NC[6])	C[6](C[6]C[6]H)2(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C(C[6]C[6]2)(NC[6a]H)(NC[6])	121.2150	2.636	2	121.2150	6.949	2	121.5514	3.452	20	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-2:	C[6](C[6]C[6]H)2(CNN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NHH)(NO)	C[6](C[6]C[6]H)2(CNN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NHH)(NO)	121.4225	0.131	2	121.4225	0.017	2	121.5514	3.452	20	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-2:	C[6](C[6]C[6]H)2(CNN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NNiH)(NC)	C[6](C[6]C[6]H)2(CNN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NNiH)(NC)	121.5318	2.499	8	121.5318	6.246	8	121.5514	3.452	20	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-2:	C[6](C[6]C[6]H)2(CNN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NPdH)(NC)	C[6](C[6]C[6]H)2(CNN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NPdH)(NC)	121.6874	1.439	8	121.6874	2.070	8	121.5514	3.452	20	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHN)(OMn)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NHN)(OMn)	117.2065	0.243	2	117.2065	0.059	2	118.8012	10.014	6	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHN)(ONi)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NHN)(ONi)	117.8800	0.317	2	117.8800	0.100	2	118.8012	10.014	6	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHN)(OZn)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NHN)(OZn)	117.4140	0.000	1	117.4140	0.000	1	118.8012	10.014	6	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHH)(OMn)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Mn<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(OMn)	125.2200	0.000	1	125.2200	0.000	1	118.8012	10.014	6	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C-2:	C[6](C[6]C[6]H)2(CC[6a]C)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CN)	C[6](C[6]C[6]H)2(CC[6a]C){1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CN)	122.9480	2.804	2	122.9480	7.865	2	122.9480	7.865	2	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)2(CC[6a]N)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NN)	C[6](C[6]C[6]H)2(CC[6a]N){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NN)	121.7300	0.376	2	122.0803	0.742	8	122.0803	0.742	8	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)2(CC[6a]N)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NN)	C[6](C[6]C[6]H)2(CC[6a]N){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NN)	122.1970	0.972	6	122.0803	0.742	8	122.0803	0.742	8	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-3:C-2:	C[6](C[6]C[6]O)2(CCC)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C(C[6]C[6]2)(CCC)(CN)	C[6](C[6]C[6]O)2(CCC){1|C<3>,2|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(CCC)(CN)	119.4748	1.547	6	119.4748	2.392	6	119.4748	2.392	6	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NHN)(OMn)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHN)(OMn)	122.4655	0.083	2	122.4655	0.007	2	122.3068	0.113	5	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NHN)(ONi)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHN)(ONi)	122.0835	0.527	2	122.0835	0.278	2	122.3068	0.113	5	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NHN)(OZn)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHN)(OZn)	122.4360	0.000	1	122.4360	0.000	1	122.3068	0.113	5	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C-3:O-2:	C[6](C[6]N[6]O)2(CCO)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C(C[6]C[6]2)(CCH)(OH)	C[6](C[6]N[6]O)2(CCO){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C(C[6]C[6]2)(CCH)(OH)	120.3210	2.753	2	120.3210	7.582	2	120.3210	7.582	2	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-3:O-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CCH)(ORu)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CCH)(ORu)	122.7825	2.029	2	122.7825	4.116	2	122.7825	4.116	2	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NHH)(OMn)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NHH)(OMn)	117.2370	0.000	1	117.2370	0.000	1	117.2370	0.000	1	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6a]-3:O-2:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O){1|C<3>,1|N<2>,1|S<4>,2|C<4>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OH)	120.9770	0.000	1	120.5385	0.385	2	120.5385	0.385	2	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6a]-3:O-2:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OH)	120.1000	0.000	1	120.5385	0.385	2	120.5385	0.385	2	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:N-3:O-2:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(NC[6]H)(OCo)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(NC[6]H)(OCo)	124.1240	0.000	1	124.1240	0.000	1	124.1240	0.000	1	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6]O)(CN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6]O)(CN)	123.6800	0.000	1	123.6800	0.000	1	123.2525	0.366	2	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CHN)(CN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHN)(CN)	122.8250	0.000	1	122.8250	0.000	1	123.2525	0.366	2	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:N-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CHH)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHH)(NN)	123.5510	0.000	1	123.5510	0.000	1	124.8240	4.892	3	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:N-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(COO)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(COO)(NN)	125.4605	2.712	2	125.4605	7.354	2	124.8240	4.892	3	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCH)(ONi)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCH)(ONi)	114.3385	0.107	2	114.3385	0.011	2	114.3385	0.011	2	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NN)	124.5280	0.000	1	124.5280	0.000	1	124.5280	0.000	1	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]V)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NHH)(OV)	C[6](C[6]C[6]H)(N[6]C[6]V)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<7>}	C(C[6]C[6]N[6])(NHH)(OV)	125.4760	0.000	1	125.4760	0.000	1	125.4760	0.000	1	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NN)	124.9900	0.994	2	124.9900	0.988	2	124.9900	0.988	2	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:S-2:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]S)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[5]N[5]S[5])(C[6]C[6]N[6])(SC)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]S){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C(C[5]N[5]S[5])(C[6]C[6]N[6])(SC)	119.6260	0.000	1	119.6260	0.000	1	119.6260	0.000	1	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C-2:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[5a]C)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])(CN)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[5a]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])(CN)	120.3055	0.699	2	120.3055	0.489	2	120.1075	0.245	4	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[5a]C)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])(CN)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[5a]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])(CN)	119.9095	0.298	2	119.9095	0.089	2	120.1075	0.245	4	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:O-2:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCH)(OCo)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CCH)(OCo)	124.7670	0.000	1	124.7670	0.000	1	124.7920	0.385	3	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:O-2:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCH)(OMn)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CCH)(OMn)	124.1840	0.000	1	124.1840	0.000	1	124.7920	0.385	3	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:O-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCH)(ONi)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CCH)(ONi)	125.4250	0.000	1	125.4250	0.000	1	124.7920	0.385	3	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])2(NO)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])2(NO)	121.1395	0.049	2	121.1395	0.002	2	121.1395	0.002	2	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-2:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6])	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6])	117.5830	0.000	1	117.5830	0.000	1	125.3791	14.356	7	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-2:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a])	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ga<3>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a])	125.7450	1.252	4	125.7450	1.567	4	125.3791	14.356	7	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-2:	C[6](N[6]C[6]Se)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a])	C[6](N[6]C[6]Se)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Se<1>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a])	128.5455	0.257	2	128.5455	0.066	2	125.3791	14.356	7	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-2:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OCo)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OCo)	125.8240	0.000	1	125.8240	0.000	1	124.6807	0.614	9	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-2:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OCu)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OCu)	124.4760	0.000	1	124.4760	0.000	1	124.6807	0.614	9	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-2:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OMn)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OMn)	124.7990	0.000	1	124.7990	0.000	1	124.6807	0.614	9	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ONi)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ONi)	124.4140	0.505	4	124.4140	0.255	4	124.6807	0.614	9	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-2:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORh)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORh)	123.5670	0.000	1	123.5670	0.000	1	124.6807	0.614	9	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-2:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu)	125.8040	0.000	1	125.8040	0.000	1	124.6807	0.614	9	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-2:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnO)(CN)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnO)(CN)	121.8910	0.000	1	121.8910	0.000	1	121.8910	0.000	1	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-2:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NHN)(NCu)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NHN)(NCu)	123.8645	0.749	2	123.8645	0.561	2	123.3485	1.464	8	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-2:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NHH)(NN)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NHH)(NN)	121.4990	0.331	2	121.4990	0.110	2	123.3485	1.464	8	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-2:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnN)(NH)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnN)(NH)	124.4630	0.000	1	124.4630	0.000	1	123.3485	1.464	8	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiN)(NH)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiN)(NH)	123.7480	0.000	1	123.7480	0.000	1	123.3485	1.464	8	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-2:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCO)(NPt)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCO)(NPt)	124.1870	0.000	1	124.1870	0.000	1	123.3485	1.464	8	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-2:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NPtN)(NH)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NPtN)(NH)	123.6630	0.000	1	123.6630	0.000	1	123.3485	1.464	8	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CNO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoH)(OC)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	C(C[6]C[6]N[6])(NCoH)(OC)	127.3350	0.000	1	127.3350	0.000	1	124.1352	4.626	54	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NHH)(OCo)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NHH)(OCo)	125.2070	0.000	1	125.2070	0.000	1	124.1352	4.626	54	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]H)(OCu)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(OCu)	125.5160	0.000	1	125.5160	0.000	1	124.1352	4.626	54	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NHH)(OCu)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NHH)(OCu)	125.5015	0.139	2	125.6300	0.059	3	124.1352	4.626	54	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NHH)(OCu)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NHH)(OCu)	125.8870	0.000	1	125.6300	0.059	3	124.1352	4.626	54	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCH)(OFe)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCH)(OFe)	127.5050	0.323	4	127.5050	0.105	4	124.1352	4.626	54	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]C)(OFe)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]C)(OFe)	126.4380	0.447	2	126.4380	0.200	2	124.1352	4.626	54	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeC)(OFe)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeC)(OFe)	122.1573	0.416	4	122.1573	0.173	4	124.1352	4.626	54	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeC)(OMn)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeC)(OMn)	122.1453	0.605	4	122.1453	0.366	4	124.1352	4.626	54	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NHH)(OFe)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NHH)(OFe)	127.6660	0.000	1	126.9720	0.367	3	124.1352	4.626	54	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NHH)(OFe)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NHH)(OFe)	126.6250	0.103	2	126.9720	0.367	3	124.1352	4.626	54	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]H)(OMn)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(OMn)	124.7160	1.855	5	124.7160	3.441	5	124.1352	4.626	54	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnN)(OMn)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnN)(OMn)	122.6550	1.796	6	122.6550	3.224	6	124.1352	4.626	54	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NHH)(ONi)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NHH)(ONi)	125.3736	0.402	5	125.3736	0.162	5	124.1352	4.626	54	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiC)(OFe)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiC)(OFe)	121.9903	1.198	4	121.9903	1.436	4	124.1352	4.626	54	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiC)(OMn)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiC)(OMn)	121.8503	0.502	4	121.8503	0.252	4	124.1352	4.626	54	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiN)(OC)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiN)(OC)	122.2350	0.103	2	122.2350	0.011	2	124.1352	4.626	54	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiN)(ONi)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiN)(ONi)	124.6825	0.046	2	124.6825	0.002	2	124.1352	4.626	54	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCH)(ORe)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCH)(ORe)	125.2450	0.000	1	125.2450	0.000	1	124.1352	4.626	54	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NHH)(OZn)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NHH)(OZn)	124.3830	0.000	1	124.3830	0.000	1	124.1352	4.626	54	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-2:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NZnO)(OZn)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NZnO)(OZn)	122.1290	0.000	1	122.1290	0.000	1	124.1352	4.626	54	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:S-2:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]H)(SFe)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(SFe)	121.3495	0.605	2	121.9997	0.690	6	123.1119	2.206	23	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:S-2:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]H)(SFe)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(SFe)	122.3247	0.778	4	121.9997	0.690	6	123.1119	2.206	23	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:S-2:	C[6](N[6]C[6]Os)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]H)(SOs)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CNS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<9>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(SOs)	122.4480	0.000	1	122.4480	0.000	1	123.1119	2.206	23	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:S-2:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCH)(SPd)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCH)(SPd)	123.4765	0.151	2	123.4765	0.023	2	123.1119	2.206	23	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:S-2:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]H)(SPd)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(SPd)	123.5260	0.000	1	123.5260	0.000	1	123.1119	2.206	23	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:S-2:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCH)(SPt)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCH)(SPt)	123.5285	0.128	2	123.5285	0.016	2	123.1119	2.206	23	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:S-2:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]H)(SPt)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(SPt)	123.9179	2.010	8	123.9179	4.042	8	123.1119	2.206	23	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:S-2:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCH)(SRu)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCH)(SRu)	122.8985	1.545	2	122.8985	2.387	2	123.1119	2.206	23	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:S-2:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]H)(SRu)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(SRu)	122.4520	0.000	1	122.4520	0.000	1	123.1119	2.206	23	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-3:N-2:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OFe2)(NN)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OFe2)(NN)	121.6710	0.350	3	121.6710	0.122	3	123.6019	2.929	19	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-3:N-2:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OMn2)(NN)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OMn2)(NN)	122.2135	0.563	4	123.6684	2.209	12	123.6019	2.929	19	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-3:N-2:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OMn2)(NN)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OMn2)(NN)	124.3959	1.233	8	123.6684	2.209	12	123.6019	2.929	19	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-3:N-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ONi2)(NN)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ONi2)(NN)	126.4275	0.612	2	126.4275	0.374	2	123.6019	2.929	19	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-3:N-2:	C[6](N[6]N[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ONi2)(NN)	C[6](N[6]N[6]Ni)(C[6]C[6]H)(CNO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|N<2>}	C(C[6]C[6]N[6])(ONi2)(NN)	123.2735	0.619	2	123.2735	0.383	2	123.6019	2.929	19	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-3:O-2:	C[6](N[6]C[6]Li)(C[6]C[6]H)(COO)	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]N[6])(OLi2)(OLi)	C[6](N[6]C[6]Li)(C[6]C[6]H)(COO){1|N<2>,2|H<1>}	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Li<5>,1|C<3>}	C(C[6]C[6]N[6])(OLi2)(OLi)	121.9390	0.000	1	121.9390	0.000	1	121.9390	0.000	1	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-3:N-2:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(SRu2)(NC)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(SRu2)(NC)	120.4810	0.000	1	120.4810	0.000	1	120.4810	0.000	1	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N-2:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NN)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NN)	118.1030	0.000	1	118.1030	0.000	1	118.1030	0.000	1	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-2:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(ORh)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<7>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(ORh)	128.0780	0.000	2	128.0780	0.000	2	128.0780	0.000	2	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:O-1:	C[6]-3:N-3:O-2:	C[6](N[6]C[6,6a]Li)(C[6]N[6]O)(CNO)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(NCH)(OLi)	C[6](N[6]C[6,6a]Li)(C[6]N[6]O)(CNO){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(O){1|Li<5>,2|C<3>}	C(C[6]C[6]N[6])(NCH)(OLi)	122.3430	0.000	1	122.3430	0.000	1	122.3430	0.000	1	122.5764	7.032	252	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6a]-3:C[6]-3:	C[6](CC[6a]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(C[6]C[6]2)	C[6](CC[6a]C[5])(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(C[6]C[6]2)	119.9150	0.000	1	119.9150	0.000	1	119.9150	0.000	1	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5]-3:C[6]-3:	C[6](CC[5a]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]2)	C[6](CC[5a]C[5])(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|O<2>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]2)	123.8810	0.000	1	123.8810	0.000	1	121.6051	1.259	13	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5]-3:C[6]-3:	C[6](CC[5a]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]2)	C[6](CC[5a]C[5])(C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]2)	121.2668	1.238	4	121.3427	1.294	8	121.6051	1.259	13	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5]-3:C[6]-3:	C[6](CC[5a]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]2)	C[6](CC[5a]C[5])(C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]2)	121.4188	1.212	4	121.3427	1.294	8	121.6051	1.259	13	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5]-3:C[6]-3:	C[6](CC[5a]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]C)2(H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]2)	C[6](CC[5a]C[5])(C[6]C[6]H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6]C[6]2)	121.5607	0.323	4	121.5607	0.104	4	121.6051	1.259	13	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6a]-3:	C[6](CC[5a]C[6a])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6](CC[5a]C[6a])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	120.1040	0.412	2	120.1040	0.169	2	120.0270	0.099	4	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6a]-3:	C[6](CC[5a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6](CC[5a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	119.9500	0.322	2	119.9500	0.104	2	120.0270	0.099	4	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[5a]2)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C(C[5a]C[5a]N[5a])2(C[6]C[6,6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[5a]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	C(C[5a]C[5a]N[5a])2(C[6]C[6,6a]C[6])	120.8350	0.596	3	120.8350	0.355	3	120.8350	0.355	3	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]2)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]2){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	118.3630	0.000	1	118.3630	0.000	1	118.3630	0.000	1	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]N){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)	120.6555	0.063	2	120.6555	0.004	2	120.3312	0.142	4	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(NHH)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]N){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NHH)	120.0070	0.011	2	120.0070	0.000	2	120.3312	0.142	4	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C-3:C[5]-3:C[6]-3:	C[6](C[6]C[6]H)2(CC[5]C)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(CC[5]C[6])(C[5]S[5]2)(C[6]C[6]2)	C[6](C[6]C[6]H)2(CC[5]C){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	C(CC[5]C[6])(C[5]S[5]2)(C[6]C[6]2)	122.7935	3.779	4	122.7935	14.284	4	122.7935	14.284	4	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[5]-3:C[6]-3:	C[6](C[6]C[6]H)2(CC[5]2)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[5]C[5]N[5])2(C[6]C[6]2)	C[6](C[6]C[6]H)2(CC[5]2){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5])2(C[6]C[6]2)	121.2558	0.792	4	121.2558	0.628	4	121.2558	0.628	4	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5a]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5a]2){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	119.8470	0.000	1	119.8470	0.000	1	121.0664	1.310	16	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[5a]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[5a]N[5a,6a]C[5a])2(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[5a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[5a]N[5a,6a]C[5a])2(C[6]C[6]2)	120.6540	0.000	1	120.6540	0.000	1	121.0664	1.310	16	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](C[6]C[6]H)2(CC[5a]2)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[6](C[6]C[6]H)2(CC[5a]2){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	121.3005	1.408	8	121.3087	1.417	12	121.0664	1.310	16	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](C[6]C[6]H)2(CC[5a]2)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[6](C[6]C[6]H)2(CC[5a]2){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	121.3252	0.754	4	121.3087	1.417	12	121.0664	1.310	16	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](C[6]C[6]H)2(CC[5a]2)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[5a]N[5a,6a]C[5a])2(C[6]C[6]2)	C[6](C[6]C[6]H)2(CC[5a]2){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[5a]N[5a,6a]C[5a])2(C[6]C[6]2)	120.4280	0.942	2	120.4280	0.887	2	121.0664	1.310	16	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CHO)(CNN)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCC){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C(C[6]C[6]2)(CHO)(CNN)	117.3740	0.000	1	117.3740	0.000	1	121.3474	1.927	29	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-3:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CCO)2	C[6](C[6]C[6]H)2(CCC){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C(C[6]C[6]2)(CCO)2	120.7930	0.000	1	120.7930	0.000	1	121.3474	1.927	29	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-3:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a]Sn)(CC[6a]C)	C[6](C[6]C[6]H)2(CCC){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C(C[6]C[6]2)(CC[6a]Sn)(CC[6a]C)	121.7500	0.000	1	121.7500	0.000	1	121.3474	1.927	29	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-3:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CCO)2	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCO)2	121.5580	0.993	8	121.4813	1.599	24	121.3474	1.927	29	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-3:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CCO)2	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCO)2	120.8755	0.600	2	121.4813	1.599	24	121.3474	1.927	29	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-3:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CCO)2	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCO)2	121.3690	0.854	4	121.4813	1.599	24	121.3474	1.927	29	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-3:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CCO)2	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCO)2	121.7488	2.025	6	121.4813	1.599	24	121.3474	1.927	29	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-3:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CCO)2	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CCO)2	121.3415	1.352	4	121.4813	1.599	24	121.3474	1.927	29	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-3:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CHO)2	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CHO)2	121.8045	0.272	2	121.8045	0.074	2	121.3474	1.927	29	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:N-3:	C[6](C[6]C[6]H)2(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6]N)(NCdN)	C[6](C[6]C[6]H)2(CCN){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6]N)(NCdN)	120.1470	1.861	2	120.1470	3.464	2	120.2195	1.537	4	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:N-3:	C[6](C[6]C[6]H)2(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6]N)(NCuN)	C[6](C[6]C[6]H)2(CCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C(C[6]C[6]2)(CC[6]N)(NCuN)	121.0420	0.000	1	121.0420	0.000	1	120.2195	1.537	4	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:N-3:	C[6](C[6]C[6]H)2(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a]N)(NCuN)	C[6](C[6]C[6]H)2(CCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C(C[6]C[6]2)(CC[6a]N)(NCuN)	119.5420	0.000	1	119.5420	0.000	1	120.2195	1.537	4	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-3:	C[6](C[6]C[6]H)2(CNN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NHH)2	C[6](C[6]C[6]H)2(CNN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NHH)2	120.0598	0.580	5	120.0598	0.336	5	120.4370	0.373	10	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-3:	C[6](C[6]C[6]H)2(CNN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C(C[6]C[6]2)(NHH)2	C[6](C[6]C[6]H)2(CNN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NHH)2	120.8142	0.383	5	120.8142	0.146	5	120.4370	0.373	10	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)2(CC[6a]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCH)	C[6](C[6]C[6]H)2(CC[6a]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CCH)	121.4260	4.453	2	121.4260	19.832	2	121.8620	10.486	3	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)2(CC[6a]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CRuC)	C[6](C[6]C[6]H)2(CC[6a]C){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CRuC)	122.7340	0.000	1	122.7340	0.000	1	121.8620	10.486	3	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]N)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	120.8250	0.235	2	120.8250	0.055	2	121.1520	2.968	5	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)2(CC[6a]N)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NNiC)	C[6](C[6]C[6]H)2(CC[6a]N){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NNiC)	119.9880	0.020	2	119.9880	0.000	2	121.1520	2.968	5	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)2(CC[6a]N)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NPdN)	C[6](C[6]C[6]H)2(CC[6a]N){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NPdN)	124.1340	0.000	1	124.1340	0.000	1	121.1520	2.968	5	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(CC[6a]2){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)	121.7555	0.033	2	121.7555	0.001	2	121.9150	0.571	53	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(CC[6a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)	121.9827	1.022	4	122.4024	0.605	10	121.9150	0.571	53	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(CC[6a]2){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)	122.6985	0.446	2	122.4024	0.605	10	121.9150	0.571	53	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(CC[6a]2){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|P<4>,2|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)	122.7775	0.919	2	122.4024	0.605	10	121.9150	0.571	53	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(CC[6a]2){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)	122.5705	0.224	2	122.4024	0.605	10	121.9150	0.571	53	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6]C)2(H)	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(CC[6a]2){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)	121.8609	0.671	25	121.8609	0.450	25	121.9150	0.571	53	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(CC[6a]2){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)	121.7203	0.858	15	121.7203	0.736	15	121.9150	0.571	53	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(CC[6a]2){3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C(C[6a]C[6a]2)2(C[6]C[6]2)	121.6320	0.000	1	121.6320	0.000	1	121.9150	0.571	53	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:C-3:	C[6](C[6]C[6]O)2(CC[6a]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHP)	C[6](C[6]C[6]O)2(CC[6a]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CHP)	119.2920	0.000	1	119.2920	0.000	1	119.2920	0.000	1	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]N)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	120.4900	0.109	2	120.4900	0.012	2	120.4900	0.012	2	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[5a]2)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[5a]N[5a,6a]C[5a])2(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[5a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[5a]N[5a,6a]C[5a])2(C[6]C[6]2)	120.7590	0.000	1	120.7590	0.000	1	120.7590	0.000	1	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C-3:N-3:	C[6](C[6]N[6]O)2(CCN)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C(C[6]C[6]2)(CCC)(NCH)	C[6](C[6]N[6]O)2(CCN){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C(C[6]C[6]2)(CCC)(NCH)	119.7830	0.071	2	119.7830	0.005	2	119.7830	0.005	2	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N-3:N-3:	C[6](C[6]N[6]O)2(CNN)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C(C[6]C[6]2)(NC[6a]H)2	C[6](C[6]N[6]O)2(CNN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(NC[6a]H)2	120.1170	0.000	1	120.1170	0.000	1	120.1170	0.000	1	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5a]2)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[5a]N[5a,6a]C[5a])2(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[5a]N[5a,6a]C[5a])2(C[6]C[6]N[6])	122.2830	0.000	1	122.2830	0.000	1	122.2830	0.000	1	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]C)(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]C)(COO)	122.5410	0.000	1	122.5410	0.000	1	122.5410	0.000	1	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](C[6]C[6]H)(N[6]C[6]V)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNV)	C[6](C[6]C[6]H)(N[6]C[6]V)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<5>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNV)	124.9810	0.000	1	125.1670	0.047	3	125.1670	0.047	3	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](C[6]C[6]H)(N[6]C[6]V)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNV)	C[6](C[6]C[6]H)(N[6]C[6]V)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<6>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNV)	125.2600	0.206	2	125.1670	0.047	3	125.1670	0.047	3	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(N[6]C[6]V)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NNV)	C[6](C[6]C[6]H)(N[6]C[6]V)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<5>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NNV)	125.4040	0.000	1	125.4040	0.000	1	125.4040	0.000	1	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[5]-3:	C[6](N[6]C[6]Re)(CC[5]C[6])(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])2(C[5]S[5]2)	C[6](N[6]C[6]Re)(CC[5]C[6])(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])2(C[5]S[5]2)	121.7865	1.689	2	121.7865	2.854	2	121.7865	2.854	2	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[5a]2)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[5a]C[5a]N[5a])2(C[6]C[6]N[6])	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[5a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6]C[6]N[6])	119.7120	0.000	1	119.7120	0.000	1	119.7120	0.000	1	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C-3:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CC[5a]C)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(CCC)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CC[5a]C){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(CCC)	123.1240	1.007	2	123.1240	1.014	2	123.1240	1.014	2	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC)	C[6](C[6]C[6,6a]Cl)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCO)2	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|Cl<1>,2|C<3>}	C[6](C[6]C[6,6a]Cl)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CCO)2	125.1990	0.000	1	125.1990	0.000	1	123.7806	3.994	5	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCO)2	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CCO)2	125.2770	0.000	1	125.2770	0.000	1	123.7806	3.994	5	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]O)2	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CC[6a]O)2	125.0750	0.000	1	125.0750	0.000	1	123.7806	3.994	5	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-3:	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CCC)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]O)(CCN)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CCC){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pt<4>,2|C<3>}	C(C[6]C[6]N[6])(CC[6a]O)(CCN)	121.6760	1.092	2	121.6760	1.192	2	123.7806	3.994	5	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:N-3:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]O)(NCuO)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]O)(NCuO)	121.7940	0.000	1	121.7940	0.000	1	121.7940	0.000	1	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])2(CC[6a]2)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]C){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])2(CC[6a]2)	121.7860	0.966	2	121.7860	0.933	2	121.9862	0.364	4	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]C)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])2(CC[6]2)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])2(CC[6]2)	122.1865	0.006	2	122.1865	0.000	2	121.9862	0.364	4	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])2(NCdN)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])2(NCdN)	121.7345	0.589	2	121.7345	0.347	2	122.4964	6.594	8	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])2(NCuN)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])2(NCuN)	121.5440	3.140	2	121.5440	9.857	2	122.4964	6.594	8	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])2(NNiO)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])2(NNiO)	126.0755	0.508	2	123.3535	10.014	4	122.4964	6.594	8	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])2(NNiO)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])2(NNiO)	120.6315	0.383	2	123.3535	10.014	4	122.4964	6.594	8	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-3:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]P)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])2(PCW)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])2(PCW)	121.9240	0.472	2	121.9240	0.223	2	121.9240	0.223	2	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C-3:	C[6](N[6]C[6]Zr)(C[6]C[6]H)(CC[6a]C)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CC[6a]Zr)	C[6](N[6]C[6]Zr)(C[6]C[6]H)(CC[6a]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zr<13>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CC[6a]Zr)	122.4020	0.000	1	122.4020	0.000	1	122.4020	0.000	1	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Al)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Al)	127.4780	0.716	2	126.1509	2.891	21	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Al)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Al)	125.3508	1.692	9	126.1509	2.891	21	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Al)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Al)	126.6056	1.600	10	126.1509	2.891	21	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Bi)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NBiN)	C[6](N[6]C[6]Bi)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Bi<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NBiN)	122.4230	0.000	1	122.4230	0.000	1	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCdN)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCdN)	122.8610	0.000	1	122.6830	0.378	3	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCdN)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCdN)	122.5940	0.841	2	122.6830	0.378	3	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCdO)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCdO)	121.9477	0.308	3	121.9477	0.095	3	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Co)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Co)	130.5520	0.000	1	128.0978	8.165	9	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Co)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Co)	124.7720	0.150	2	128.0978	8.165	9	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Co)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Co)	130.4080	0.860	4	128.0978	8.165	9	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Co)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Co)	125.5760	0.929	2	128.0978	8.165	9	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCoC)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCoC)	124.2400	2.065	2	124.2400	4.263	2	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCuC)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCuC)	124.5270	0.000	1	124.5270	0.000	1	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Fe)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Fe)	125.0785	0.648	2	125.0097	0.224	3	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Fe)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Fe)	124.8720	0.000	1	125.0097	0.224	3	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NFeN)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NFeN)	124.5230	0.695	4	124.5230	0.483	4	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NIrN)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NIrN)	123.2820	0.000	1	123.2820	0.000	1	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Mg)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Mg)	125.0385	0.706	6	125.3244	0.561	12	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Mg)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Mg)	125.6103	0.735	6	125.3244	0.561	12	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NMnN)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NMnN)	122.8155	0.299	2	122.8155	0.089	2	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NMoC)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NMoC)	123.0060	0.000	1	123.0060	0.000	1	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Ni)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Ni)	126.1530	0.977	2	126.1530	0.955	2	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNiC)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNiC)	123.0265	0.507	11	123.0265	0.257	11	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNiN)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNiN)	125.2220	0.000	1	125.2220	0.000	1	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNiO)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNiO)	122.9840	1.589	8	122.9840	2.525	8	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Os)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NOsO)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NOsO)	122.5035	0.295	2	122.5035	0.087	2	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Pd)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Pd)	123.2325	0.039	2	123.2325	0.002	2	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NPdC)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NPdC)	124.0315	0.166	8	124.0315	0.028	8	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NPdN)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NPdN)	123.1320	1.035	2	123.1320	1.072	2	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Ru)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Ru)	122.7840	0.000	1	122.7840	0.000	1	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NSmO)	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sm<9>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NSmO)	120.8887	0.494	3	120.8887	0.244	3	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Sn)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Sn)	122.3080	0.458	2	122.3080	0.210	2	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Zn)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Zn)	123.1500	0.182	2	123.1500	0.033	2	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnN)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnN)	123.9760	0.000	1	122.8394	0.541	7	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-3:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnN)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnN)	122.6500	0.590	6	122.8394	0.541	7	124.3967	4.667	114	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:P-3:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6a]P)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(PC[6a]Cu)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6a]P){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(PC[6a]Cu)	122.7205	0.880	2	122.7205	0.775	2	122.6751	0.271	7	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:P-3:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]P)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(PC[6a]Fe)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]P){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(PC[6a]Fe)	122.7190	0.115	2	122.7190	0.013	2	122.6751	0.271	7	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:P-3:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]P)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(PC[6a]Ni)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(PC[6a]Ni)	122.8120	0.768	2	122.8120	0.590	2	122.6751	0.271	7	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:P-3:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]P)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(PNiC)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(PNiC)	122.2230	0.000	1	122.2230	0.000	1	122.6751	0.271	7	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-3:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Al)(CHH)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Al)(CHH)	125.9980	0.000	1	125.9980	0.000	1	125.9470	4.098	9	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-3:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Al)(CHH)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Al)(CHH)	124.3730	0.000	1	124.3730	0.000	1	125.9470	4.098	9	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-3:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(CHH)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Co)(CHH)	129.8980	0.000	1	129.8980	0.000	1	125.9470	4.098	9	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-3:	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Mg)(CHH)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Mg)(CHH)	127.1230	0.635	2	127.1230	0.403	2	125.9470	4.098	9	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-3:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnC)(CHH)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnC)(CHH)	126.6640	0.000	1	126.6640	0.000	1	125.9470	4.098	9	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-3:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NPdN)(CHH)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NPdN)(CHH)	123.9500	0.000	1	123.9500	0.000	1	125.9470	4.098	9	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-3:	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Sn)(CHH)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Sn)(CHH)	123.5270	0.000	1	123.5270	0.000	1	125.9470	4.098	9	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-3:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Zn)(CHH)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<3>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Zn)(CHH)	124.8670	0.000	1	124.8670	0.000	1	125.9470	4.098	9	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-3:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCdO)(NHH)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCdO)(NHH)	122.2060	0.000	1	122.2060	0.000	1	124.0553	2.547	64	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-3:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoN)(NHH)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoN)(NHH)	125.9975	0.825	4	125.9975	0.681	4	124.0553	2.547	64	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-3:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeN)(NHH)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeN)(NHH)	123.9380	1.261	4	125.0285	2.069	8	124.0553	2.547	64	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-3:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeN)(NHH)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeN)(NHH)	126.1190	0.258	4	125.0285	2.069	8	124.0553	2.547	64	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-3:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMn2)(NHN)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMn2)(NHN)	122.3547	0.795	3	122.3547	0.632	3	124.0553	2.547	64	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-3:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnN)(NHH)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnN)(NHH)	122.6419	0.694	21	122.8318	0.703	24	124.0553	2.547	64	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-3:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnN)(NHH)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnN)(NHH)	124.1613	0.487	3	122.8318	0.703	24	124.0553	2.547	64	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-3:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiN)(NHH)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiN)(NHH)	124.2798	0.389	5	125.3376	1.962	9	124.0553	2.547	64	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-3:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiN)(NHH)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiN)(NHH)	126.6598	0.914	4	125.3376	1.962	9	124.0553	2.547	64	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-3:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiO)(NHH)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiO)(NHH)	123.6502	0.198	4	124.9769	2.084	8	124.0553	2.547	64	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-3:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiO)(NHH)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiO)(NHH)	126.3035	0.361	4	124.9769	2.084	8	124.0553	2.547	64	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-3:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NZnH)(NHH)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NZnH)(NHH)	123.7740	0.199	2	123.7740	0.040	2	124.0553	2.547	64	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-3:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NZnN)(NHH)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NZnN)(NHH)	125.2670	0.065	2	125.2670	0.004	2	124.0553	2.547	64	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-3:	C[6](N[6]N[6]Ni)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiO)(NHH)	C[6](N[6]N[6]Ni)(C[6]C[6]H)(CNN){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|N<2>}	C(C[6]C[6]N[6])(NNiO)(NHH)	124.0513	0.628	3	124.0513	0.394	3	124.0553	2.547	64	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-3:C-3:	C[6](N[6]C[6]Er)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OCuEr)(CCH)	C[6](N[6]C[6]Er)(C[6]C[6]H)(CCO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Er<12>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCuEr)(CCH)	121.9225	0.654	4	121.9225	0.428	4	122.6642	0.559	12	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-3:C-3:	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OEuNi)(CCH)	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CCO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Eu<12>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OEuNi)(CCH)	122.8055	0.302	4	122.8055	0.091	4	122.6642	0.559	12	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-3:C-3:	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(ONiSm)(CCH)	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CCO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sm<12>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ONiSm)(CCH)	123.2648	0.540	4	123.2648	0.291	4	122.6642	0.559	12	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N-3:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NCdN)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NCdN)	122.8050	0.000	1	122.7037	0.166	3	123.7322	1.532	18	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N-3:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NCdN)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NCdN)	122.6530	0.563	2	122.7037	0.166	3	123.7322	1.532	18	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N-3:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NCuC)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NCuC)	123.2250	0.000	1	123.2250	0.000	1	123.7322	1.532	18	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N-3:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NFeN)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NFeN)	124.7173	1.166	4	124.7173	1.358	4	123.7322	1.532	18	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N-3:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NNiC)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NNiC)	121.8130	0.499	2	121.8130	0.249	2	123.7322	1.532	18	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N-3:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NNiO)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NNiO)	124.5802	0.249	6	124.5802	0.062	6	123.7322	1.532	18	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N-3:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NZnN)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NZnN)	122.9335	0.903	2	122.9335	0.815	2	123.7322	1.532	18	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]2)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]2){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])	122.3770	0.000	1	122.3770	0.000	1	122.3770	0.000	1	122.9638	4.758	418	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:C-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(CCN)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O)	C(C[6]C[6,6a]C[6])(NC[6a]H)(CH3)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(CCN){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6,6a]C[6])(NC[6a]H)(CH3)	119.9200	0.000	1	119.9200	0.000	1	119.9200	0.000	1	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]O[6]O)(CCN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(NPdN)(CH3)	C[6](C[6]C[6,6a]H)(C[6]O[6]O)(CCN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|O<2>}	C(C[6]C[6]2)(NPdN)(CH3)	118.9860	0.000	1	118.9860	0.000	1	118.9860	0.000	1	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:N-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(NC[6a]H)(CH3)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(NC[6a]H)(CH3)	120.5070	0.000	2	120.5070	0.000	2	120.5070	0.000	2	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]C)	C[6](C[6]C[6]C)2(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	124.8430	0.000	1	124.8430	0.000	1	124.8430	0.000	1	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:C-4:	C[6](C[6]C[6]O)(C[6]O[6]O)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NC[6a]H)(CCHH)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(NC[6a]H)(CCHH)	120.3130	0.000	1	120.3130	0.000	1	120.7316	0.084	8	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:C-4:	C[6](C[6]C[6]O)(C[6]O[6]O)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NC[6a]H)(CH3)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(NC[6a]H)(CH3)	120.7914	0.255	7	120.7914	0.065	7	120.7316	0.084	8	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	120.1050	0.000	1	120.1050	0.000	1	120.1050	0.000	1	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]C)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[5]N[5]S[5])(C[6]C[6]N[6])(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]C){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C(C[5]N[5]S[5])(C[6]C[6]N[6])(CC[6a]HH)	121.9425	0.937	2	121.9425	0.878	2	121.9425	0.878	2	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:B[5a]-3:P-4:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CB[5a]P)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(B[5a]O[5a]2)(PRuCC)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CB[5a]P){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(B[5a]O[5a]2)(PRuCC)	122.0210	0.000	1	122.0210	0.000	1	122.0210	0.000	1	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-4:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]O)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]O)(CH3)	120.3150	0.600	5	120.3150	0.360	5	120.3150	0.360	5	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:Si-4:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CSiC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]N)(SiC3)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CSiC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]N)(SiC3)	120.4075	0.811	2	120.4075	0.658	2	120.4075	0.658	2	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-4:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]AlH)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]AlH)	125.9166	0.714	5	125.9166	0.509	5	125.9166	0.509	5	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[5,6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[5,6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)	C[6](N[6]C[5,6]Co)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)	124.7160	0.000	1	124.7160	0.000	1	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Co<4>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)	124.5820	0.000	1	124.9763	1.417	7	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Co<5>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)	124.3317	1.619	3	124.9763	1.417	7	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)	125.8415	0.025	2	124.9763	1.417	7	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)	125.5740	0.000	1	124.9763	1.417	7	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6,6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	C[6](N[6]C[6,6]Fe)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	123.9370	0.000	1	123.9370	0.000	1	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ni<3>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	126.8280	0.000	1	126.4872	1.000	21	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ni<3>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	127.1732	0.260	4	126.4872	1.000	21	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ni<4>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	126.2007	1.214	12	126.4872	1.000	21	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ni<5>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	126.5273	0.514	3	126.4872	1.000	21	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	126.7210	0.000	1	126.4872	1.000	21	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6,6]Ti)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ti)(CCHH)	C[6](N[6]C[6,6]Ti)(C[6]C[6]H)(CCN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ti<12>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(NC[6a]Ti)(CCHH)	126.4680	0.263	2	126.4680	0.069	2	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6,6]Ti)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ti)(CH3)	C[6](N[6]C[6,6]Ti)(C[6]C[6]H)(CCN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ti<12>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(NC[6a]Ti)(CH3)	127.0265	0.797	2	127.0265	0.635	2	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Al)(CCHH)	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Al<5>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Al)(CCHH)	126.8180	0.000	1	126.8180	0.000	1	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)	124.8393	0.764	3	125.3297	1.306	7	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)	126.0100	2.229	2	125.3297	1.306	7	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Al)(CH3)	125.3850	0.222	2	125.3297	1.306	7	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cd)(CH3)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cd)(CH3)	122.7705	0.794	2	122.7705	0.631	2	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCdC)(CH3)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCdC)(CH3)	122.4787	0.783	3	122.6272	0.292	6	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCdC)(CH3)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCdC)(CH3)	122.7757	0.229	3	122.6272	0.292	6	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCdN)(CH3)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCdN)(CH3)	122.2765	0.556	2	122.0642	0.111	6	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCdN)(CH3)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCdN)(CH3)	121.9580	0.194	4	122.0642	0.111	6	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoC)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoC)(CH3)	129.5720	1.026	4	129.5720	1.052	4	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Co)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Co)(CH3)	130.3455	0.784	2	129.7632	1.032	4	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Co)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Co)(CH3)	129.1810	1.061	2	129.7632	1.032	4	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(CCHH)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Co)(CCHH)	129.5242	0.385	5	129.0138	1.682	6	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(CCHH)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Co)(CCHH)	126.4620	0.000	1	129.0138	1.682	6	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>}	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)	125.1260	0.000	1	126.7202	5.664	106	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)	123.9235	0.326	2	126.7202	5.664	106	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)	129.8368	0.633	32	126.7202	5.664	106	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)	124.2735	1.412	4	126.7202	5.664	106	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)	125.1459	1.123	52	126.7202	5.664	106	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)	126.6607	1.465	15	126.7202	5.664	106	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoC)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoC)(CH3)	131.1890	0.000	1	127.9701	8.602	32	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoC)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoC)(CH3)	123.3650	0.115	3	127.9701	8.602	32	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoC)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoC)(CH3)	130.4157	0.828	15	127.9701	8.602	32	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoC)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoC)(CH3)	127.5232	1.912	5	127.9701	8.602	32	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoC)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoC)(CH3)	125.0148	1.132	6	127.9701	8.602	32	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoC)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoC)(CH3)	124.9090	0.412	2	127.9701	8.602	32	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoN)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoN)(CH3)	122.0340	0.000	1	123.4651	2.011	11	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoN)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoN)(CH3)	126.3580	0.000	1	123.4651	2.011	11	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoN)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoN)(CH3)	123.3027	1.087	9	123.4651	2.011	11	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoO)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCoO)(CH3)	122.4252	0.662	6	122.4252	0.438	6	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]N[5])(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[5])(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6])(NC[6a]Co)(CH3)	129.4243	0.491	4	129.4243	0.241	4	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cr)(CH3)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(NC[6a]Cr)(CH3)	125.0060	0.000	1	125.8760	0.895	3	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cr)(CH3)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cr)(CH3)	126.3110	0.809	2	125.8760	0.895	3	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cu)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cu)(CH3)	122.5800	0.000	1	124.6240	3.515	11	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cu)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cu)(CH3)	122.7303	0.282	3	124.6240	3.515	11	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cu)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cu)(CH3)	127.1343	0.271	3	124.6240	3.515	11	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cu)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cu)(CH3)	124.6725	0.577	4	124.6240	3.515	11	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuC)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuC)(CH3)	123.2510	0.000	1	124.0584	0.327	14	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuC)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuC)(CH3)	124.1205	0.544	13	124.0584	0.327	14	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuN)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuN)(CH3)	123.6471	0.401	8	124.5778	2.579	13	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuN)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuN)(CH3)	123.0940	0.000	1	124.5778	2.579	13	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuN)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuN)(CH3)	126.8102	0.505	4	124.5778	2.579	13	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuO)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuO)(CH3)	123.3085	0.459	2	124.6068	2.327	4	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCuO)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NCuO)(CH3)	125.9050	0.168	2	124.6068	2.327	4	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cu)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN){1|N<3>,2|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cu)(CH3)	120.0620	0.761	2	121.6760	2.670	5	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cu)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN){1|N<3>,2|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cu)(CH3)	122.7520	0.842	3	121.6760	2.670	5	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	129.3420	0.474	4	129.3420	0.225	4	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeC)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeC)(CH3)	130.1709	0.508	8	130.1709	0.258	8	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Fe)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Fe)(CH3)	129.2360	0.000	1	129.2360	0.000	1	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(CCHH)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(CCHH)	127.6427	1.463	6	127.9970	1.962	8	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(CCHH)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(CCHH)	129.0600	0.120	2	127.9970	1.962	8	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	122.5630	0.000	1	126.3393	4.369	150	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	124.0150	0.000	1	126.3393	4.369	150	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	125.4920	0.000	1	126.3393	4.369	150	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	122.4690	0.276	2	126.3393	4.369	150	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	123.7785	1.466	2	126.3393	4.369	150	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	123.8887	0.399	4	126.3393	4.369	150	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	127.8959	1.784	11	126.3393	4.369	150	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	126.1855	2.011	102	126.3393	4.369	150	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	127.1814	1.564	22	126.3393	4.369	150	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	128.7508	0.704	4	126.3393	4.369	150	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(CHHP)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(CHHP)	123.2600	0.000	1	123.2600	0.000	1	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeC)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeC)(CH3)	121.6150	0.000	1	126.1402	5.397	50	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeC)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeC)(CH3)	124.5815	0.244	2	126.1402	5.397	50	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeC)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeC)(CH3)	125.0475	0.360	2	126.1402	5.397	50	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeC)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeC)(CH3)	127.2375	2.036	19	126.1402	5.397	50	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeC)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeC)(CH3)	128.9816	0.983	8	126.1402	5.397	50	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeC)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeC)(CH3)	124.2651	0.509	18	126.1402	5.397	50	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeN)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeN)(CH3)	124.2806	0.735	9	124.0583	0.496	13	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NFeN)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeN)(CH3)	123.5583	0.253	4	124.0583	0.496	13	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|N<3>,2|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	128.8982	0.523	4	128.8982	0.274	4	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]N[6]C)2(H)	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]N[6]C)2(H){1|Fe<5>,1|C<3>}	C(C[6]C[6]N[6])(NC[6a]Fe)(CH3)	126.8110	0.000	1	126.8110	0.000	1	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Hg)(CH3)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Hg)(CH3)	122.5338	1.054	16	122.5338	1.110	16	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ir)(CH3)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ir)(CH3)	127.5227	0.240	3	127.5313	4.256	13	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ir)(CH3)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ir)(CH3)	124.0050	1.274	2	127.5313	4.256	13	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ir)(CH3)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ir)(CH3)	127.9377	1.591	6	127.5313	4.256	13	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ir)(CH3)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ir)(CH3)	129.8515	0.216	2	127.5313	4.256	13	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NIrO)(CH3)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NIrO)(CH3)	124.2260	0.000	1	124.2260	0.000	1	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Mg)(CH3)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Mg)(CH3)	125.4270	1.109	2	125.4270	1.229	2	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnN)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnN)(CH3)	123.3997	0.661	4	123.3997	0.438	4	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Mn)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Mn)(CH3)	124.5205	0.230	2	124.5205	0.053	2	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Mn)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Mn)(CH3)	124.1510	0.000	1	125.3865	3.856	13	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Mn)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Mn)(CH3)	124.0563	0.180	4	125.3865	3.856	13	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Mn)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Mn)(CH3)	128.1555	0.211	4	125.3865	3.856	13	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Mn)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Mn)(CH3)	124.2565	0.745	4	125.3865	3.856	13	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnC)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnC)(CH3)	123.2997	0.256	3	125.9421	6.296	29	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnC)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnC)(CH3)	123.0480	0.303	3	125.9421	6.296	29	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnC)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnC)(CH3)	127.8333	2.945	3	125.9421	6.296	29	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnC)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnC)(CH3)	128.8939	0.952	8	125.9421	6.296	29	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnC)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnC)(CH3)	124.8855	1.060	12	125.9421	6.296	29	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnN)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnN)(CH3)	122.1130	0.000	1	123.1837	0.623	30	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnN)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnN)(CH3)	122.6207	0.552	7	123.1837	0.623	30	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnN)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnN)(CH3)	123.7190	0.000	1	123.1837	0.623	30	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnN)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnN)(CH3)	123.3968	0.762	21	123.1837	0.623	30	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMnO)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMnO)(CH3)	123.1240	0.679	2	123.1240	0.461	2	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Mo)(CH3)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Mo)(CH3)	128.4580	0.000	1	126.5220	2.044	16	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Mo)(CH3)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Mo)(CH3)	123.6420	0.000	1	126.5220	2.044	16	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Mo)(CH3)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Mo)(CH3)	127.3847	0.249	4	126.5220	2.044	16	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Mo)(CH3)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Mo)(CH3)	126.7025	0.516	6	126.5220	2.044	16	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Mo)(CH3)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Mo)(CH3)	127.2500	0.345	2	126.5220	2.044	16	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Mo)(CH3)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<9>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Mo)(CH3)	123.9990	0.154	2	126.5220	2.044	16	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMoC)(CH3)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMoC)(CH3)	127.9820	0.277	2	127.7169	0.428	7	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMoC)(CH3)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMoC)(CH3)	127.6108	0.757	5	127.7169	0.428	7	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NMoN)(CH3)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NMoN)(CH3)	125.4245	0.511	8	125.4245	0.261	8	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(CCCH)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(CCCH)	125.8140	0.000	1	125.8140	0.000	1	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	123.8240	0.000	1	125.4017	4.383	47	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	123.6630	0.000	1	125.4017	4.383	47	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	123.7658	0.468	6	125.4017	4.383	47	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	122.6645	0.228	4	125.4017	4.383	47	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	127.8096	3.443	7	125.4017	4.383	47	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	125.2228	1.677	10	125.4017	4.383	47	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	125.9024	0.639	18	125.4017	4.383	47	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiC)(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiC)(CH3)	123.4390	0.000	1	127.1726	4.376	5	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiC)(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiC)(CH3)	128.1060	0.162	4	127.1726	4.376	5	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiN)(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiN)(CH3)	123.2398	0.373	10	123.1306	0.444	13	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiN)(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiN)(CH3)	124.1220	0.000	1	123.1306	0.444	13	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiN)(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiN)(CH3)	122.0890	0.894	2	123.1306	0.444	13	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiO)(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiO)(CH3)	123.0923	0.320	4	124.9817	8.736	6	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiO)(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiO)(CH3)	128.7605	0.729	2	124.9817	8.736	6	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Pd)(CH3)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Pd)(CH3)	123.2722	0.399	6	123.7775	4.270	17	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Pd)(CH3)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Pd)(CH3)	124.0531	2.553	11	123.7775	4.270	17	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NPdC)(CH3)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NPdC)(CH3)	124.5930	0.714	2	124.5930	0.510	2	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NPdO)(CH3)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NPdO)(CH3)	127.6375	0.779	2	127.6375	0.606	2	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NPtC)(CH3)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NPtC)(CH3)	124.3270	0.000	1	124.3270	0.000	1	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NPtN)(CH3)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NPtN)(CH3)	123.6130	0.192	2	123.6130	0.037	2	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Re)(CH3)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Re)(CH3)	123.5270	0.000	1	123.5270	0.000	1	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Re)(CH3)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Re)(CH3)	123.3997	3.215	6	123.3997	10.336	6	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NReN)(CH3)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NReN)(CH3)	123.6108	0.758	5	123.6108	0.574	5	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NReO)(CH3)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NReO)(CH3)	124.1240	0.000	1	124.1240	0.000	1	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NRhN)(CH3)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NRhN)(CH3)	123.3110	0.000	1	123.3110	0.000	1	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ru)(CH3)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ru)(CH3)	128.4250	0.459	8	128.0396	0.416	16	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ru)(CH3)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ru)(CH3)	127.6543	0.584	8	128.0396	0.416	16	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NRuN)(CH3)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NRuN)(CH3)	123.3485	0.292	2	123.3485	0.085	2	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NRuO)(CH3)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NRuO)(CH3)	127.8825	0.319	2	127.8825	0.102	2	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Sb)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NSbN)(CH3)	C[6](N[6]C[6]Sb)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sb<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NSbN)(CH3)	124.9110	0.000	1	124.9110	0.000	1	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Sn)(CH3)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Sn)(CH3)	123.1405	0.730	2	123.1405	0.534	2	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Sn)(CH3)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Sn)(CH3)	123.8605	0.872	2	123.0233	0.605	6	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Sn)(CH3)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Sn)(CH3)	122.6047	0.231	4	123.0233	0.605	6	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NSnN)(CH3)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NSnN)(CH3)	122.9185	0.479	8	123.2531	0.496	17	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NSnN)(CH3)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NSnN)(CH3)	123.5506	0.762	9	123.2531	0.496	17	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[3]Zn)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[3]Zn)(CH3)	124.4090	0.000	1	124.4090	0.000	1	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Zn)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Zn)(CH3)	123.5780	0.287	2	123.7650	0.146	3	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]Zn)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Zn)(CH3)	124.1390	0.000	1	123.7650	0.146	3	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Zn)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Zn)(CH3)	121.9710	0.000	1	123.8654	1.427	35	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Zn)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Zn)(CH3)	122.8845	0.592	4	123.8654	1.427	35	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Zn)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Zn)(CH3)	124.5348	1.199	5	123.8654	1.427	35	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Zn)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Zn)(CH3)	123.5448	1.138	17	123.8654	1.427	35	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Zn)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Zn)(CH3)	124.8555	0.496	8	123.8654	1.427	35	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NZnC)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NZnC)(CH3)	123.6081	0.568	8	123.7448	0.450	9	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NZnC)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NZnC)(CH3)	124.8380	0.000	1	123.7448	0.450	9	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NZnN)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NZnN)(CH3)	123.2952	0.312	5	123.1153	0.251	7	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NZnN)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NZnN)(CH3)	122.6655	0.742	2	123.1153	0.251	7	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Zn)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Zn<5>,1|H<1>,3|C<3>}	C(C[6]C[6]N[6])(NC[6a]Zn)(CH3)	123.8195	0.502	4	123.8195	0.252	4	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]N[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCoO)(CH3)	C[6](N[6]N[6]Co)(C[6]C[6]H)(CCN){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|N<3>}	C(C[6]C[6]N[6])(NCoO)(CH3)	122.0610	0.618	2	122.0610	0.382	2	125.6121	6.171	879	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:P-4:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Pt)(PO3)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Pt)(PO3)	125.1590	0.000	1	125.1590	0.000	1	125.1590	0.000	1	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ni)(C[6]N[6]H)(CCN)	C[6](C[6]N[6]C)(N[6]C[6]O)(H)	C(C[6]C[6]N[6])(NNiC)(CH3)	C[6](N[6]C[6]Ni)(C[6]N[6]H)(CCN){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6]O)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiC)(CH3)	122.0030	0.000	1	122.0030	0.000	1	122.0030	0.000	1	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Cu)(C[6]N[6]H)(CCN)	C[6](N[6]C[6]Cu)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Cu)(CH3)	C[6](N[6]C[6]Cu)(C[6]N[6]H)(CCN){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Cu)(CH3)	122.5450	0.000	1	122.5450	0.000	1	122.5450	0.000	1	125.4790	6.609	911	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:O-1:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CCO)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(O)	C(C[6]C[5,6]C[6])(CCHH)(O)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(O){1|C<3>,2|O<2>}	C(C[6]C[5,6]C[6])(CCHH)(O)	120.4560	0.000	1	120.4560	0.000	1	120.4560	0.000	1	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(CCO)	C[6](C[6]C[5]O[6])(C[6]C[6,6]C)(H)	C(C[6]C[6,6]C[6])(CH3)(O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(CCO){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5]O[6])(C[6]C[6,6]C)(H){1|C<4>,3|C<3>}	C(C[6]C[6,6]C[6])(CH3)(O)	116.3760	0.000	1	116.3760	0.000	1	116.3760	0.000	1	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6,6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[5,6]C)(C[6]C[6,6]H)(CCO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]C)(H){1|C<3>,6|C<4>}	C(C[6]C[6]2)(CH3)(O)	117.7410	0.000	1	117.7410	0.000	1	117.7410	0.000	1	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(CC[6a]HH)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C(C[6]C[6]2)(CC[6a]HH)(O)	119.3780	0.000	1	119.3780	0.000	1	120.7010	3.501	2	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCO){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	C(C[6]C[6]2)(CH3)(O)	122.0240	0.000	1	122.0240	0.000	1	120.7010	3.501	2	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CCHH)(H)	120.7300	0.537	2	120.7300	0.289	2	120.7300	0.289	2	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCO)	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a]HH)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CC[6a]HH)(O)	121.6610	0.000	1	121.6610	0.000	1	120.9374	3.359	40	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCO)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCO){1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	C(C[6]C[6]2)(CH3)(O)	120.7380	0.000	1	120.7380	0.000	1	120.9374	3.359	40	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCO){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|S<4>,2|C<4>}	C(C[6]C[6]2)(CH3)(O)	115.4300	0.000	1	115.4300	0.000	1	120.9374	3.359	40	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)(O)	120.8850	1.976	2	120.8850	3.903	2	120.9374	3.359	40	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(O)	122.3940	0.000	1	122.3826	2.616	5	120.9374	3.359	40	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(O)	121.5935	2.611	2	122.3826	2.616	5	120.9374	3.359	40	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(O)	123.9310	0.000	1	122.3826	2.616	5	120.9374	3.359	40	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(O)	122.4010	0.000	1	122.3826	2.616	5	120.9374	3.359	40	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(O)	120.6760	1.812	14	120.8661	2.590	30	120.9374	3.359	40	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CH3)(O)	121.0992	1.560	8	120.8661	2.590	30	120.9374	3.359	40	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CH3)(O)	120.6815	0.279	2	120.8661	2.590	30	120.9374	3.359	40	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CH3)(O)	121.0655	1.947	2	120.8661	2.590	30	120.9374	3.359	40	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CH3)(O)	121.1125	2.330	2	120.8661	2.590	30	120.9374	3.359	40	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CH3)(O)	121.0030	2.206	2	120.8661	2.590	30	120.9374	3.359	40	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCO)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(O){1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(CH3)(O)	117.4390	0.095	2	117.4390	0.009	2	120.7779	8.245	7	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	C(C[6]C[6]2)(CH3)(O)	122.6700	0.810	2	122.6700	0.657	2	120.7779	8.245	7	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CCHH)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCO){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CCHH)(O)	118.5980	0.000	1	118.5980	0.000	1	120.7779	8.245	7	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)(CCCH)(O)	C[6](C[6]C[6]O)2(CCO){1|C<3>,3|C<4>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|O<2>}	C(C[6]C[6]2)(CCCH)(O)	124.2430	0.000	1	124.2430	0.000	1	120.7779	8.245	7	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]O)2(CCO){3|C<3>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|O<2>}	C(C[6]C[6]2)(CH3)(O)	122.3860	0.000	1	122.3860	0.000	1	120.7779	8.245	7	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]N[6,6]H)(C[6]C[6]O)(CCO)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]N[6,6]H)(C[6]C[6]O)(CCO){2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6]2)(CH3)(O)	116.2800	0.133	2	116.2800	0.018	2	116.2800	0.018	2	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(O)	118.9000	0.000	1	118.9000	0.000	1	119.3678	2.709	5	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(O)	120.6330	2.127	2	120.6330	4.524	2	119.3678	2.709	5	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(O)	117.7180	0.000	1	117.7180	0.000	1	119.3678	2.709	5	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(O)	118.9550	0.000	1	118.9550	0.000	1	119.3678	2.709	5	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CH3)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CH3)(O)	125.4780	1.146	2	125.4780	1.312	2	122.1497	16.144	4	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CCHH)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6])(CCHH)(O)	118.8215	1.677	2	118.8215	2.811	2	122.1497	16.144	4	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-4:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[5]O)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(C[5]C[5]2H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[5]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6])(C[5]C[5]2H)(O)	120.2380	0.000	1	120.2380	0.000	1	120.2380	0.000	1	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHP)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PC[6a]2Pd)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHP){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PC[6a]2Pd)(H)	121.5643	0.737	3	121.5643	0.543	3	121.5643	0.543	3	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH)	C[6](C[6]N[6]C)(N[6]C[6]C)(O)	C(C[6]C[6]N[6])(CCCH)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH){1|O<1>,2|C<4>}	C[6](C[6]N[6]C)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6])(CCCH)(H)	123.8840	0.000	1	123.8840	0.000	1	120.8803	6.945	3	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCH)	C[6](C[6]N[6]C)(N[6]C[6]C)(O)	C(C[6]C[6]N[6])(CCCH)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]C)(N[6]C[6]C)(O){1|C<3>,3|H<1>}	C(C[6]C[6]N[6])(CCCH)(H)	119.3785	0.598	2	119.3785	0.357	2	120.8803	6.945	3	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[3x6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[3x6]Ge[3x6]C[3x6])(C[6]C[6]H)(CHP)	C[6](C[6]N[3x6]C)(C[6]C[6]H)(H)	C(C[6]N[3x6]C[6])(PCCN)(H)	C[6](N[3x6]Ge[3x6]C[3x6])(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]N[3x6]C)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	C(C[6]N[3x6]C[6])(PCCN)(H)	124.1380	0.000	1	124.1380	0.000	1	124.1380	0.000	1	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[5]HH)(O)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[5]HH)(O)	115.6310	0.000	1	115.6310	0.000	1	123.4841	12.925	13	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CH3)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CH3)(O)	118.9955	0.353	2	118.9955	0.125	2	123.4841	12.925	13	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CPd2C)(O)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CPd2C)(O)	123.2565	0.667	2	123.2565	0.445	2	123.4841	12.925	13	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CPdCH)(O)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CPdCH)(O)	124.0060	0.000	1	124.0060	0.000	1	123.4841	12.925	13	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CPdHH)(O)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CPdHH)(O)	126.0070	0.403	4	126.3670	0.408	6	123.4841	12.925	13	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CPdHH)(O)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CPdHH)(O)	127.0870	0.000	2	126.3670	0.408	6	123.4841	12.925	13	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CPtCH)(O)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CPtCH)(O)	122.9500	0.000	1	122.9500	0.000	1	123.4841	12.925	13	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-4:O-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNi2C)(O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNi2C)(O)	125.8025	0.124	2	125.8025	0.015	2	125.8025	0.015	2	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHP)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PC[6a]2Co)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<4>,2|C<3>}	C(C[6]C[6]N[6])(PC[6a]2Co)(H)	126.8510	0.000	1	126.5907	0.579	3	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHP)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PC[6a]2Co)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<5>,2|C<3>}	C(C[6]C[6]N[6])(PC[6a]2Co)(H)	126.4605	1.027	2	126.5907	0.579	3	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6,6a]Mg)(C[6]C[6]H)(CHP)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PCCS)(H)	C[6](N[6]C[6,6a]Mg)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mg<4>,2|C<3>}	C(C[6]C[6]N[6])(PCCS)(H)	117.5740	0.662	2	117.5740	0.438	2	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHP)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PPdCC)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pd<4>,2|C<3>}	C(C[6]C[6]N[6])(PPdCC)(H)	124.6663	1.101	3	124.6663	1.213	3	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHP)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PRuCC)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ru<5>,2|C<3>}	C(C[6]C[6]N[6])(PRuCC)(H)	119.4330	0.000	1	119.4330	0.000	1	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Al)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PC[6a]2N)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]2N)(H)	120.7900	0.000	1	120.7900	0.000	1	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PCoCC)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PCoCC)(H)	122.4225	0.105	2	122.4225	0.011	2	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PCrCC)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PCrCC)(H)	120.5420	0.000	1	122.5613	3.058	3	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PCrCC)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PCrCC)(H)	123.5710	0.000	2	122.5613	3.058	3	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PIrCC)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PIrCC)(H)	121.9780	0.000	1	121.9175	0.007	2	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PIrCC)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PIrCC)(H)	121.8570	0.000	1	121.9175	0.007	2	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PLiCC)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PLiCC)(H)	123.1050	0.000	1	123.1050	0.000	1	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PMnCC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PMnCC)(H)	123.0970	2.070	2	122.8307	1.581	4	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PMnCC)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PMnCC)(H)	122.5645	0.416	2	122.8307	1.581	4	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PNiCC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PNiCC)(H)	123.2245	0.220	2	123.1510	0.029	4	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PNiCC)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PNiCC)(H)	123.0775	0.132	2	123.1510	0.029	4	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PC[6a]2Pd)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]2Pd)(H)	125.6920	0.000	1	125.6920	0.000	1	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PPdCC)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PPdCC)(H)	122.3642	0.369	4	122.3642	0.136	4	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PPtCC)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PPtCC)(H)	122.9600	0.247	2	122.9600	0.061	2	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PReCC)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PReCC)(H)	121.0890	0.000	1	121.0890	0.000	1	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PRuCC)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PRuCC)(H)	120.9320	0.000	1	123.7008	2.325	6	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PRuCC)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PRuCC)(H)	122.9120	0.000	1	123.7008	2.325	6	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PRuCC)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PRuCC)(H)	124.4030	0.000	1	123.7008	2.325	6	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PRuCC)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PRuCC)(H)	124.5925	0.325	2	123.7008	2.325	6	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PRuCC)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PRuCC)(H)	124.7730	0.000	1	123.7008	2.325	6	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PC[6a]2N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]2N)(H)	123.6990	0.000	1	123.2693	3.424	3	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PC[6a]2N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]2N)(H)	124.8670	0.000	1	123.2693	3.424	3	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PC[6a]2N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]2N)(H)	121.2420	0.000	1	123.2693	3.424	3	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PZnCC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<3>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PZnCC)(H)	121.3185	0.333	2	121.6077	0.306	3	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PZnCC)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PZnCC)(H)	122.1860	0.000	1	121.6077	0.306	3	122.8594	4.054	46	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:O-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(COP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PC[6a]2Rh)(O)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(COP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]2Rh)(O)	119.4395	0.036	2	119.4395	0.001	2	119.4395	0.001	2	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-4:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(SIrCO)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(SIrCO)(H)	126.0410	0.180	2	126.0410	0.032	2	125.7013	0.198	4	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-4:H-1:	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(SRhCO)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(SRhCO)(H)	125.3615	0.315	2	125.3615	0.099	2	125.7013	0.198	4	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](N[6]C[6]Fe)(C[6]N[6]H)(CHP)	C[6](N[6]C[6]Fe)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PFeCC)(H)	C[6](N[6]C[6]Fe)(C[6]N[6]H)(CHP){1|Fe<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Fe)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PFeCC)(H)	121.7710	0.407	3	121.7710	0.166	3	121.7710	0.166	3	121.8567	6.903	143	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:O-2:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)(OH)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(CH3)(OH)	118.0800	0.000	1	118.0800	0.000	1	118.0800	0.000	1	122.7942	5.098	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(NC)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CH3)(NC)	121.6070	0.000	1	121.6070	0.000	1	121.2640	1.010	5	122.7942	5.098	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CH3)(NN)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(NN)	121.6230	0.375	2	121.1783	1.297	4	121.2640	1.010	5	122.7942	5.098	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CH3)(NN)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(NN)	119.5170	0.000	1	121.1783	1.297	4	121.2640	1.010	5	122.7942	5.098	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CH3)(NN)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(NN)	121.9500	0.000	1	121.1783	1.297	4	121.2640	1.010	5	122.7942	5.098	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:N-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(CH3)(NC)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)(NC)	120.0040	0.000	1	120.0040	0.000	1	120.0040	0.000	1	122.7942	5.098	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-4:N-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6]C[6]2)(CH3)(NN)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(NN)	121.6045	0.153	2	121.6045	0.024	2	121.6045	0.024	2	122.7942	5.098	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C-4:O-2:	C[6](C[6]N[6]O)2(CCO)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)(OH)	C[6](C[6]N[6]O)2(CCO){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C(C[6]C[6]2)(CH3)(OH)	120.0845	2.579	2	120.0845	6.650	2	120.0845	6.650	2	122.7942	5.098	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(NN)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(NN)	123.0400	0.000	1	121.8300	2.928	2	121.8300	2.928	2	122.7942	5.098	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:2:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-2:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(NN)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(NN)	120.6200	0.000	1	121.8300	2.928	2	121.8300	2.928	2	122.7942	5.098	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:2:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:O-2:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O)	C(C[6]C[6]N[6])(CH3)(OH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CCO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(O){1|C<3>,1|N<2>,1|S<4>,2|C<4>}	C(C[6]C[6]N[6])(CH3)(OH)	121.1580	0.000	1	121.1580	0.000	1	121.1580	0.000	1	122.7942	5.098	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CH3)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CH3)(NN)	124.4122	0.736	11	124.1780	0.788	13	124.1780	0.788	13	122.7942	5.098	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CH3)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CH3)(NN)	122.8900	0.359	2	124.1780	0.788	13	124.1780	0.788	13	122.7942	5.098	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:2:	N[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-2:	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]H)(CCN)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C(C[6]N[5,6]C[6])(CH3)(NN)	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]H)(CCN){1|Cl<1>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|In<4>,1|C<3>,1|H<1>}	C(C[6]N[5,6]C[6])(CH3)(NN)	123.2870	0.000	1	123.2870	0.000	1	122.8510	0.146	3	122.7942	5.098	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:2:	N[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-2:	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(CCN)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C(C[6]N[5,6]C[6])(CH3)(NN)	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(CCN){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	C(C[6]N[5,6]C[6])(CH3)(NN)	122.6330	0.086	2	122.6330	0.007	2	122.8510	0.146	3	122.7942	5.098	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-2:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CH3)(NN)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CH3)(NN)	121.6390	0.000	1	121.6390	0.000	1	119.5983	4.803	3	122.7942	5.098	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CH3)(NN)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CH3)(NN)	119.8740	0.000	1	119.8740	0.000	1	119.5983	4.803	3	122.7942	5.098	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-2:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CH3)(NN)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CH3)(NN)	117.2820	0.000	1	117.2820	0.000	1	119.5983	4.803	3	122.7942	5.098	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-2:	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CH3)(OCo)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CH3)(OCo)	124.5300	0.231	2	124.5300	0.053	2	125.0376	1.622	8	122.7942	5.098	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-2:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CH3)(OCu)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CH3)(OCu)	123.6810	0.000	1	123.6810	0.000	1	125.0376	1.622	8	122.7942	5.098	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-2:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CH3)(OFe)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CH3)(OFe)	126.5710	0.000	1	126.5710	0.000	1	125.0376	1.622	8	122.7942	5.098	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-2:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CH3)(OPd)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CH3)(OPd)	126.4250	0.000	2	126.4250	0.000	2	125.0376	1.622	8	122.7942	5.098	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-2:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CH3)(ORu)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CH3)(ORu)	124.0695	0.933	2	124.0695	0.870	2	125.0376	1.622	8	122.7942	5.098	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)(NCH)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(CH3)(NCH)	120.5300	0.095	2	120.5300	0.009	2	120.3833	0.069	3	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)(NHN)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(CH3)(NHN)	120.0900	0.000	1	120.0900	0.000	1	120.3833	0.069	3	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-3:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CCHH)(CCH)	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CCHH)(CCH)	122.5740	0.602	2	122.5740	0.363	2	122.5740	0.363	2	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CH3)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(CH3)(NCH)	120.9730	0.000	1	120.9730	0.000	1	120.7118	0.252	6	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CH3)(NHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(CH3)(NHN)	120.4210	0.000	1	120.4210	0.000	1	120.7118	0.252	6	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(CH3)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(CH3)(NCH)	120.6990	0.000	1	120.6990	0.000	1	120.7118	0.252	6	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CH3)(NCH)	121.1870	0.000	1	120.7260	0.553	3	120.7118	0.252	6	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(CH3)(NCH)	120.4955	0.887	2	120.7260	0.553	3	120.7118	0.252	6	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCN)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)(NCH)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCN){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(O){1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(CH3)(NCH)	119.5150	0.485	3	119.5150	0.235	3	120.3724	0.943	14	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(CH3)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(NCH)	119.5210	0.000	1	120.2494	0.285	5	120.3724	0.943	14	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(CH3)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(CH3)(NCH)	120.9730	0.000	1	120.2494	0.285	5	120.3724	0.943	14	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(CH3)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)(NCH)	120.4080	0.000	1	120.2494	0.285	5	120.3724	0.943	14	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(CH3)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(NCH)	120.1725	0.220	2	120.2494	0.285	5	120.3724	0.943	14	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(CH3)(NHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(CH3)(NHN)	121.9410	0.000	1	121.9410	0.000	1	120.3724	0.943	14	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6]O)(C[6]O[6]O)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(CH3)(NCH)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(CH3)(NCH)	121.3145	1.958	2	121.3145	3.834	2	120.3724	0.943	14	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6]O)(C[6]O[6]O)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(CH3)(NHN)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(CH3)(NHN)	120.4935	0.124	2	120.4935	0.015	2	120.3724	0.943	14	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6]O)2(CCN)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)(CH3)(NCH)	C[6](C[6]C[6]O)2(CCN){3|C<3>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|O<2>}	C(C[6]C[6]2)(CH3)(NCH)	119.8640	0.000	1	119.8640	0.000	1	120.3724	0.943	14	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C-4:N-3:	C[6](C[6]N[6]O)2(CCN)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)(NCH)	C[6](C[6]N[6]O)2(CCN){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C(C[6]C[6]2)(CH3)(NCH)	120.2730	0.979	6	120.2730	0.959	6	120.3026	0.689	8	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C-4:N-3:	C[6](C[6]N[6]O)2(CCN)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)(NHN)	C[6](C[6]N[6]O)2(CCN){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C(C[6]C[6]2)(CH3)(NHN)	120.3915	0.081	2	120.3915	0.007	2	120.3026	0.689	8	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6]H)(N[6]C[6]V)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CH3)(NNV)	C[6](C[6]C[6]H)(N[6]C[6]V)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<6>}	C(C[6]C[6]N[6])(CH3)(NNV)	124.6800	0.000	1	124.6800	0.000	1	124.6800	0.000	1	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-3:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CHHO)(NIrH)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CHHO)(NIrH)	124.4420	0.000	1	124.4420	0.000	1	123.1380	0.839	4	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-3:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]HH)(NNiO)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]HH)(NNiO)	122.7033	0.354	3	122.7033	0.126	3	123.1380	0.839	4	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-4:C-3:	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6]SiSn)(CHH)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]SiSn)(CHH)	122.8620	0.000	1	122.8620	0.000	1	122.8620	0.000	1	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:C-3:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PC[6a]3)(CRuN)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PC[6a]3)(CRuN)	124.7980	0.075	2	124.7980	0.006	2	124.2075	0.486	4	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:C-3:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(PZnCC)(COO)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(PZnCC)(COO)	123.6170	0.242	2	123.6170	0.058	2	124.2075	0.486	4	121.2820	2.663	43	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CH3)2	121.8125	0.937	2	121.8125	0.878	2	119.0283	27.304	6	120.0624	19.627	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(CCC){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)2(H){1|C<2>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(CH3)2	113.5615	1.108	2	117.6363	37.463	4	119.0283	27.304	6	120.0624	19.627	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]H)2(CCC){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(CH3)2	121.7110	6.689	2	117.6363	37.463	4	119.0283	27.304	6	120.0624	19.627	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C-4:C-4:	C[6](C[6]N[6]O)2(CCC)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C(C[6]C[6]2)(CH3)2	C[6](C[6]N[6]O)2(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C(C[6]C[6]2)(CH3)2	121.7245	0.510	2	121.7245	0.260	2	121.7245	0.260	2	120.0624	19.627	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	3:4:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:P-4:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCP)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]HH)(PRuCC)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]HH)(PRuCC)	122.9430	0.000	1	122.9430	0.000	1	122.9430	0.000	1	120.0624	19.627	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[3]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[3]H)	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(H)	C(C[3]Si[3,5]C[3]H)(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[3]H){1|Si<4>,2|H<1>}	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(H){2|C<3>,2|C<4>}	C(C[3]Si[3,5]C[3]H)(C[6]C[6]2)(H)	113.6880	0.000	1	113.6880	0.000	1	113.6880	0.000	1	117.8900	35.314	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	4:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	P[5]-4:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CP[5]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(P[5]C[5,6a]C[5]Ir)(C[6]C[6]N[6])(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CP[5]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C(P[5]C[5,6a]C[5]Ir)(C[6]C[6]N[6])(H)	122.0920	0.000	1	122.0920	0.000	1	122.0920	0.000	1	117.8900	35.314	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CC[6]O)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C(C[6]C[6]2H)(C[6]C[6]2)(OH)	C[6](C[6]C[6]O)2(CC[6]O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2H)(C[6]C[6]2)(OH)	121.2020	2.844	4	121.2020	8.090	4	121.2020	8.090	4	121.2020	8.090	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	4:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	P-4:P-4:C[6]-3:	C[6](C[6]C[6]H)2(CPP)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(PC[6a]2Pd)2(C[6]C[6]2)	C[6](C[6]C[6]H)2(CPP){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C(PC[6a]2Pd)2(C[6]C[6]2)	122.7260	0.110	2	122.7260	0.012	2	122.7260	0.012	2	122.7260	0.012	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:1:	5:3:3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[3]-5:C[6]-3:N-3:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[3]N)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[3]C[3]H[3]HH)(C[6]C[6]N[6])(NC[6a]Zn)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[3]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[3]C[3]H[3]HH)(C[6]C[6]N[6])(NC[6a]Zn)	124.4010	0.000	1	124.4010	0.000	1	124.4010	0.000	1	124.4010	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:1:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Se-2:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Se)(CHH)	C[6](C[6]C[6a]Se[6])(C[6]C[6,6a]C)(SeC[6a])	C(C[6]C[6,6a]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Se)(CHH){1|Se<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]Se[6])(C[6]C[6,6a]C)(SeC[6a]){4|C<3>}	C(C[6]C[6,6a]C[6])(H)2	121.5500	0.000	1	121.5500	0.000	1	121.5500	0.000	1	121.6205	5.472	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:1:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6]-3:H-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CHO)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])	C(C[6]C[6,6a]C[6])(H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CHO){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6]){2|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6])(H)(O)	117.5820	0.000	1	117.5820	0.000	1	117.5820	0.000	1	121.6205	5.472	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH)	C[6](C[6]C[6]C)2(NV)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)2(NV){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)2	121.2940	0.092	2	121.2940	0.008	2	121.2940	0.008	2	121.6205	5.472	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]N)2(CHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a])	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]N)2(CHO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(H)(O)	119.3155	0.204	2	119.3155	0.042	2	119.3155	0.042	2	121.6205	5.472	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(OP)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OP){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)2	120.8790	0.000	1	120.8790	0.000	1	122.6315	2.534	4	121.6205	5.472	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH)	C[6](C[6]C[6]C)2(OC)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH){1|C<3>,1|C<4>,1|P<3>}	C[6](C[6]C[6]C)2(OC){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)2	122.5145	0.746	2	122.5145	0.557	2	122.6315	2.534	4	121.6205	5.472	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH)	C[6](C[6]C[6]C)2(OH)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(OH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)2	124.6180	0.000	1	124.6180	0.000	1	122.6315	2.534	4	121.6205	5.472	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<2>,2|H<1>}	C(C[6]C[6]2)(O)2	120.1510	0.000	1	120.1510	0.000	1	120.1510	0.000	1	121.6205	5.472	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:O-2:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(COO)	C[6](N[6]C[6]Re)(C[6]C[6]C)(ORe)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]O)(COO){1|Re<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(ORe){1|C<3>,2|H<1>}	C(C[6]C[6]2)(O)2	120.6395	1.200	2	120.6395	1.440	2	120.6395	1.440	2	121.6205	5.472	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(O)2	C[6](C[6]C[6]O)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(O)2	122.9205	0.773	2	122.9205	0.597	2	122.9205	0.597	2	121.6205	5.472	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:S-2:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]S)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(SC)	C(C[6]C[6]N[6])(O)2	C[6](C[6]C[6]S)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(SC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(O)2	127.8770	0.000	1	127.8770	0.000	1	127.8770	0.000	1	121.6205	5.472	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-1:O-1:	C[6](N[6]C[6]Pd)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(O)2	C[6](N[6]C[6]Pd)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(O)2	121.5230	0.000	1	121.5230	0.000	1	121.5230	0.000	1	121.6205	5.472	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(OH)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(COO){1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(OH)(O)	118.8460	0.000	1	118.8460	0.000	1	118.8460	0.000	1	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(COO){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH){1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	118.5660	0.185	2	118.5660	0.034	2	123.8084	3.809	39	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OBa)	C(C[6]C[6]2)(OBa)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OBa){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OBa)(O)	123.2545	0.296	2	123.2545	0.088	2	123.8084	3.809	39	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCa)	C(C[6]C[6]2)(OCa)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCa){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OCa)(O)	123.2817	0.142	3	123.2817	0.020	3	123.8084	3.809	39	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCo)	C(C[6]C[6]2)(OCo)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCo){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OCo)(O)	124.4230	0.840	5	124.4230	0.705	5	123.8084	3.809	39	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu)	C(C[6]C[6]2)(OCu)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(OCu)(O)	124.4760	0.000	1	124.7299	0.350	10	123.8084	3.809	39	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu)	C(C[6]C[6]2)(OCu)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OCu)(O)	124.7581	0.620	9	124.7299	0.350	10	123.8084	3.809	39	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	120.5810	1.140	4	120.5810	1.300	4	123.8084	3.809	39	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMg)	C(C[6]C[6]2)(OMg)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMg){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OMg)(O)	124.8180	0.000	1	124.8180	0.000	1	123.8084	3.809	39	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMn)	C(C[6]C[6]2)(OMn)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMn){1|H<1>,2|C<3>,2|N<3>}	C(C[6]C[6]2)(OMn)(O)	125.2480	0.000	1	124.7662	0.769	4	123.8084	3.809	39	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMn)	C(C[6]C[6]2)(OMn)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMn){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OMn)(O)	124.6057	0.999	3	124.7662	0.769	4	123.8084	3.809	39	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ONi)	C(C[6]C[6]2)(ONi)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ONi){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(ONi)(O)	123.6510	0.000	1	123.6510	0.000	1	123.8084	3.809	39	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ORu)	C(C[6]C[6]2)(ORu)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ORu){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(ORu)(O)	126.5560	0.294	2	126.5560	0.087	2	123.8084	3.809	39	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OSn)	C(C[6]C[6]2)(OSn)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OSn){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OSn)(O)	124.4780	0.000	1	124.4780	0.000	1	123.8084	3.809	39	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OZn)	C(C[6]C[6]2)(OZn)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OZn){1|H<1>,2|C<3>,2|N<3>}	C(C[6]C[6]2)(OZn)(O)	124.8980	0.000	1	124.5450	0.476	4	123.8084	3.809	39	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OZn)	C(C[6]C[6]2)(OZn)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OZn){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OZn)(O)	124.7410	0.819	2	124.5450	0.476	4	123.8084	3.809	39	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OZn)	C(C[6]C[6]2)(OZn)(O)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OZn){1|N<3>,2|H<1>,2|N<2>}	C(C[6]C[6]2)(OZn)(O)	123.8000	0.000	1	124.5450	0.476	4	123.8084	3.809	39	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:S-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SRu)	C(C[6]C[6]2)(ORu)(O)	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SRu){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(ORu)(O)	127.3150	0.000	1	127.3150	0.000	1	127.3150	0.000	1	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](C[6]C[6]C)(C[6]C[6]N)(CN)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(CN){1|C<3>,1|C<4>,2|C<2>}	C(C[6]C[6]2)(OC)(O)	117.1610	0.000	1	117.1610	0.000	1	117.1610	0.000	1	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]N[6]C)(OH)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(NC[6a])(H)	119.7240	0.000	1	119.7240	0.000	1	120.8035	2.294	4	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]N[6]C)(OH)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(NN)(H)	121.1320	0.000	1	121.1320	0.000	1	120.8035	2.294	4	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C(C[6]C[6]2)(NC[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<2>,2|H<1>}	C(C[6]C[6]2)(NC[6])(H)	119.5470	0.000	1	119.5470	0.000	1	120.8035	2.294	4	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C(C[6]C[6]2)(NO)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NO)(H)	122.8110	0.000	1	122.8110	0.000	1	120.8035	2.294	4	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(OCu)	C(C[6]C[6]2)(OCu)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(OCu){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(OCu)(O)	123.6715	0.691	2	123.6715	0.477	2	123.8072	1.874	10	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(OZn)	C(C[6]C[6]2)(OZn)(O)	C[6](C[6]C[6]O)(C[6]N[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OZn){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OZn)(O)	124.7305	0.336	2	124.7305	0.113	2	123.8072	1.874	10	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)2(OZn)	C(C[6]C[6]2)(OZn)(O)	C[6](C[6]C[6]O)(C[6]N[6]H)(COO){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(OZn){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OZn)(O)	124.9890	0.000	1	124.9890	0.000	1	123.8072	1.874	10	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]O)2(COO)	C[6](C[6]C[6]C)(C[6]C[6]O)(OC[6a])	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]O)2(COO){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OC[6a]){1|O<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	123.2558	1.704	5	123.2558	2.905	5	123.8072	1.874	10	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(OCo)	C(C[6]C[6]2)(OCo)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(OCo){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OCo)(O)	121.8250	1.568	2	121.8250	2.460	2	122.9219	2.154	9	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(ONi)	C(C[6]C[6]2)(ONi)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(ONi){1|C<3>,2|H<1>}	C(C[6]C[6]2)(ONi)(O)	120.4780	0.000	1	120.4780	0.000	1	122.9219	2.154	9	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(OZn)	C(C[6]C[6]2)(OZn)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(OZn){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OZn)(O)	122.8970	0.410	2	122.8970	0.168	2	122.9219	2.154	9	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(OCo)	C(C[6]C[6]2)(OCo)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(OCo){1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(OCo)(O)	124.4620	0.433	2	124.4620	0.187	2	122.9219	2.154	9	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(OFe)	C(C[6]C[6]2)(OFe)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(OFe){1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(OFe)(O)	123.7030	0.000	1	123.7030	0.000	1	122.9219	2.154	9	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(OMn)	C(C[6]C[6]2)(OMn)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(OMn){1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(OMn)(O)	123.7480	0.000	1	123.7480	0.000	1	122.9219	2.154	9	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:S-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(SMn)	C(C[6]C[6]2)(OMn)(O)	C[6](C[6]C[6]H)(C[6]N[6]S)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(SMn){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OMn)(O)	123.1070	1.165	2	123.1070	1.358	2	122.0267	4.180	3	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:S-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(SS)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]S)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(SS){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	119.8660	0.000	1	119.8660	0.000	1	122.0267	4.180	3	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2)(OC)(O)	122.2875	0.588	2	122.2875	0.345	2	122.2875	0.345	2	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:S[6]-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]S[6])(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]S[6])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2)(OC)(O)	120.8690	0.000	1	120.8690	0.000	1	120.8690	0.000	1	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]N[6,6a]O)(C[6]C[6]H)(COO)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMg)	C(C[6]C[6]2)(OMg)(O)	C[6](C[6]N[6,6a]O)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMg){2|H<1>,3|C<3>}	C(C[6]C[6]2)(OMg)(O)	121.6790	0.000	1	121.6790	0.000	1	121.6790	0.000	1	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:N-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]N)(COO)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(NS)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]C)(C[6]N[6]N)(COO){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(NS){1|C<4>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	116.5980	0.000	1	116.5980	0.000	1	116.5980	0.000	1	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(COO)	C[6](N[6]C[6]Rh)(C[6]C[6]C)(ORh)	C(C[6]C[6]2)(ORh)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(COO){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]C)(ORh){1|C<3>,2|H<1>}	C(C[6]C[6]2)(ORh)(O)	122.1680	0.976	2	122.1680	0.952	2	122.1680	0.952	2	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:S-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(COO)	C[6](N[6]C[6]Mo)(C[6]C[6]C)(SMo)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]N[6]S)(COO){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]C)(SMo){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	120.3960	0.100	2	120.3960	0.010	2	120.3960	0.010	2	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:N-2:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(NC[6])(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(NC[6])(O)	120.7390	1.259	3	120.7390	1.586	3	121.0438	0.884	6	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:N-2:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(NC[6a])(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a])(O)	121.3487	0.587	3	121.3487	0.345	3	121.0438	0.884	6	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OC)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(OC)(O)	125.4010	2.683	2	125.4010	7.197	2	120.7602	4.015	16	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(OC)(O)	119.8496	0.399	10	119.8496	0.160	10	120.7602	4.015	16	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(OH)(O)	120.5470	0.247	2	120.5470	0.061	2	120.7602	4.015	16	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(COO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|S<4>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OC)(O)	120.8860	0.214	2	120.8860	0.046	2	120.7602	4.015	16	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(OBi)(O)	C[6](C[6]C[6]O)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OBi)(O)	122.6870	0.000	1	122.6870	0.000	1	122.6870	0.000	1	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Bi)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(OBi)(O)	C[6](N[6]C[6]Bi)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Bi<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OBi)(O)	121.0575	0.616	2	121.0575	0.379	2	122.2641	2.062	10	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ir)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OC)	C(C[6]C[6]N[6])(OIr)(O)	C[6](N[6]C[6]Ir)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OC){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OIr)(O)	124.9120	0.000	1	124.9120	0.000	1	122.2641	2.062	10	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Ir)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(OIr)(O)	C[6](N[6]C[6]Ir)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OIr)(O)	121.4495	0.562	2	121.4495	0.316	2	122.2641	2.062	10	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Mo)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(OMo)(O)	C[6](N[6]C[6]Mo)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Mo<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OMo)(O)	123.3040	0.000	1	123.3040	0.000	1	122.2641	2.062	10	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Re)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(ORe)(O)	C[6](N[6]C[6]Re)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Re<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(ORe)(O)	124.3500	0.000	1	124.3500	0.000	1	122.2641	2.062	10	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Sn)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(OSn)(O)	C[6](N[6]C[6]Sn)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Sn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OSn)(O)	121.4540	0.000	1	121.4540	0.000	1	122.2641	2.062	10	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Zn)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(OZn)(O)	C[6](N[6]C[6]Zn)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OZn)(O)	121.8035	0.322	2	121.8035	0.104	2	122.2641	2.062	10	122.5283	5.048	110	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:2:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:N-2:O-2:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(NC[6])(ORu)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(NC[6])(ORu)	123.5220	0.000	1	123.5220	0.000	1	123.5220	0.000	1	122.4177	0.654	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:2:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-2:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(ORu)	C(C[6]C[6]N[6])(ORu)(OC)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(ORu){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(ORu)(OC)	122.6663	0.253	3	122.6663	0.064	3	122.6663	0.064	3	122.4177	0.654	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:2:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-2:	C[6]-3:C-2:C-2:	C[6](C[6]C[6]C)(N[6]C[6]H)(CCC)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CN)	C(C[6]C[6]N[6])(CN)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CCC){2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CN){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]N[6])(CN)2	121.4925	0.155	2	121.4925	0.024	2	121.4925	0.024	2	122.4177	0.654	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6,6a]C)(C[6]C[6]C)(OH)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]C)(OH){1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	117.4390	0.000	1	117.4390	0.000	1	117.4390	0.000	1	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-2:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]N[6]N)(CN)	C(C[6]C[6]2)(CCO)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCH){1|C<4>,2|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]N)(CN){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CCO)(H)	120.7470	0.000	1	120.7470	0.000	1	120.7470	0.000	1	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a])	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	123.6370	0.000	1	123.6370	0.000	1	123.6370	0.000	1	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a])	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]N)2(CC[6a]O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	120.8660	0.000	1	120.8660	0.000	1	120.8660	0.000	1	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH)	C(CC[5a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCH){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	C(CC[5a]C[6a])(C[6]C[6]2)(H)	124.3460	0.000	1	124.3460	0.000	1	124.3460	0.000	1	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C(C[6]C[6]2)(CC[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCO){1|Br<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CC[6]O)(O)	119.0150	0.000	1	119.0150	0.000	1	119.0150	0.000	1	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]N[6]C)(OCo)	C(C[6]C[6]2)(NCoN)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(OCo){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(NCoN)(H)	122.7470	0.000	1	122.7470	0.000	1	120.4162	3.554	13	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]N[6]C)(OCu)	C(C[6]C[6]2)(NCuC)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(OCu){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(NCuC)(H)	120.3600	0.000	1	120.3600	0.000	1	120.4162	3.554	13	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]N[6]C)(OFe)	C(C[6]C[6]2)(NFeN)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(OFe){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(NFeN)(H)	122.0080	0.114	3	122.0080	0.013	3	120.4162	3.554	13	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]N[6]C)(ONi)	C(C[6]C[6]2)(NNiC)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(ONi){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(NNiC)(H)	120.2790	0.000	1	120.2790	0.000	1	120.4162	3.554	13	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(OMn)	C(C[6]C[6]2)(NMnC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OMn){1|C<2>,2|H<1>}	C(C[6]C[6]2)(NMnC)(H)	122.7190	0.000	1	122.7190	0.000	1	120.4162	3.554	13	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]O)(OMg)	C(C[6]C[6]2)(NMgC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OMg){1|C<4>,1|H<1>}	C(C[6]C[6]2)(NMgC)(H)	121.0810	0.000	1	121.0810	0.000	1	120.4162	3.554	13	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]O)2(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]O)2(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(NC[6a]H)(H)	119.9060	0.000	1	119.9060	0.000	1	120.4162	3.554	13	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]O)2(CHN)	C[6](C[6]C[6]C)2(OH)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]O)2(CHN){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(OH){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(NCH)(H)	118.0737	0.732	4	118.0737	0.536	4	120.4162	3.554	13	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-2:	C[6]-3:N-3:S-1:	C[6](C[6]N[6]O)2(CNS)	C[6](C[6]C[6]C)(N[6]C[6]C)(OH)	C(C[6]C[6]2)(NC[6a]H)(S)	C[6](C[6]N[6]O)2(CNS){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(OH){1|N<3>,1|O<1>,1|S<1>}	C(C[6]C[6]2)(NC[6a]H)(S)	122.1180	0.000	1	122.1180	0.000	1	122.1180	0.000	1	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CC[6a]O){1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]){1|N<3>,1|S<1>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	123.3895	0.267	2	123.3895	0.071	2	123.3895	0.071	2	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:O-2:	C[6]-3:N-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(CHN)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(OCu)	C(C[6]C[6]2)(NCuN)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(CHN){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(OCu){1|H<1>,2|C<3>}	C(C[6]C[6]2)(NCuN)(H)	122.2650	0.000	1	122.2650	0.000	1	122.2650	0.000	1	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[5a,6]-3:C[6]-3:O-2:	C[6]-3:N-3:O-1:	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(NC[6]H)(O)	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO){1|C<3>,1|S<2>,2|O<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(OH){1|C<4>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(NC[6]H)(O)	120.2233	2.780	3	120.2233	7.728	3	120.2233	7.728	3	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:C[6a]-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	120.5260	0.783	9	120.5260	0.613	9	120.5156	0.457	15	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:C[6a]-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|S<4>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	120.5000	0.546	6	120.5000	0.298	6	120.5156	0.457	15	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(NCH)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(NCH)(O)	120.9330	0.574	2	120.9330	0.330	2	120.9684	0.675	42	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(NC[5]H)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(NC[5]H)(O)	120.0740	0.000	1	120.0740	0.000	1	120.9684	0.675	42	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(NC[5a]H)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(NC[5a]H)(O)	121.4044	1.391	10	121.4044	1.934	10	120.9684	0.675	42	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(NC[6]H)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(NC[6]H)(O)	120.2393	0.686	3	120.2393	0.471	3	120.9684	0.675	42	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(NC[6a]H)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]H)(O)	120.8515	0.360	21	120.8515	0.130	21	120.9684	0.675	42	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(NHN)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(NHN)(O)	121.0880	0.000	1	121.0880	0.000	1	120.9684	0.675	42	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(NC[6a]H)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CNO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|S<4>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(O)	121.2498	0.705	4	121.2498	0.497	4	120.9684	0.675	42	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]O)(N[6]C[6]C)(CNO)	C[6](C[6]C[6]O)(C[6]N[6]C)(OFe)	C(C[6]C[6]N[6])(NCH)(O)	C[6](C[6]C[6]O)(N[6]C[6]C)(CNO){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]C)(OFe){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCH)(O)	120.9083	0.987	3	120.9083	0.974	3	120.9083	0.974	3	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(OC)	C(C[6]C[6]N[6])(NFeC)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OC){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeC)(H)	122.1103	0.336	6	122.1103	0.113	6	122.1103	0.113	6	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-3:O-1:	C[6](N[6]C[3]C[6])(C[6]C[6]O)(CNO)	C[6](C[6]C[6]O)(C[6]N[6]C)(OFe)	C(C[6]C[6]N[6])(NCH)(O)	C[6](N[6]C[3]C[6])(C[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]C)(OFe){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NCH)(O)	121.3967	0.691	3	121.3967	0.478	3	121.3967	0.478	3	120.9608	1.727	95	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-3:O-2:	C[6](N[6]C[6]Zn)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(NHH)(OZn)	C[6](N[6]C[6]Zn)(C[6]C[6]O)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NHH)(OZn)	123.5760	0.000	1	123.5760	0.000	1	123.5760	0.000	1	123.5760	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6]-3:C-3:	C[6](C[6]C[6]O)2(CC[6a]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHP)	C[6](C[6]C[6]O)2(CC[6a]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CHP)	119.3080	0.000	1	119.3080	0.000	1	119.3080	0.000	1	119.3080	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-3:O-2:	C[6]-3:C-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(OH)	C(C[6]C[6]2)(CCCH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCO){1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(OH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CCCH)(O)	117.9573	0.391	3	117.9573	0.153	3	117.9573	0.153	3	120.5456	10.378	18	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-2:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]C)(C[6]O[6]C)(CCO)	C[6](C[6]C[6]C)(C[6]C[6]N)(CC)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]C)(C[6]O[6]C)(CCO){1|C<3>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(CC){1|C<4>,1|N<2>,1|O<2>}	C(C[6]C[6]2)(CH3)(O)	121.0160	0.000	1	121.0160	0.000	1	121.0160	0.000	1	120.5456	10.378	18	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]N)2(CCO)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a])	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]N)2(CCO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(CH3)(O)	123.1360	0.000	1	123.1360	0.000	1	123.1360	0.000	1	120.5456	10.378	18	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]O)2(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	C(C[6]C[6]2)(CC3)(H)	C[6](C[6]C[6]O)2(CCH){1|C<4>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2)(CC3)(H)	130.0740	0.000	1	130.0740	0.000	1	130.0740	0.000	1	120.5456	10.378	18	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]C)2(OC)	C(C[6]C[6]2)(CCCH)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCO){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)2(OC){1|C<4>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(CCCH)(O)	122.6097	0.924	3	122.6097	0.854	3	119.9622	6.006	10	120.5456	10.378	18	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]2)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(CCCH)(O)	C[6](C[6]C[6]O)2(CCO){1|C<3>,3|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]C)(OH){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2)(CCCH)(O)	117.6880	0.000	1	117.6880	0.000	1	119.9622	6.006	10	120.5456	10.378	18	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]C)2(OH)	C(C[6]C[6]2)(CCCH)(O)	C[6](C[6]C[6]O)2(CCO){1|C<3>,3|C<4>}	C[6](C[6]C[6]C)2(OH){1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(CCCH)(O)	117.4710	0.113	2	117.4710	0.013	2	119.9622	6.006	10	120.5456	10.378	18	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]C)2(OH)	C(C[6]C[6]2)(CCHH)(O)	C[6](C[6]C[6]O)2(CCO){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)2(OH){1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(CCHH)(O)	118.7020	0.000	1	118.7020	0.000	1	119.9622	6.006	10	120.5456	10.378	18	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]C)2(OH)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]O)2(CCO){3|C<3>}	C[6](C[6]C[6]C)2(OH){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(CH3)(O)	120.1537	2.452	3	120.1537	6.012	3	119.9622	6.006	10	120.5456	10.378	18	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:4:1:	C[6]-3:C[6]-3:C-3:	N[6,6a]-3:C[6]-3:N-2:	C[6]-3:C-4:O-1:	C[6](C[6]N[6,6a]N)(C[6]N[6]H)(CCO)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a])	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]N[6,6a]N)(C[6]N[6]H)(CCO){2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a]){1|N<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(O)	121.4550	0.000	1	121.4550	0.000	1	121.4550	0.000	1	120.5456	10.378	18	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:4:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:C-4:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH)	C(C[6]C[6]N[6])(CH3)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CCO){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(CH3)(O)	120.6460	0.000	1	120.6460	0.000	1	120.6460	0.000	1	120.5456	10.378	18	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:2:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C-4:N-3:	C[6](C[6]C[6]O)2(CCN)	C[6](C[6]C[6]C)2(OH)	C(C[6]C[6]2)(CH3)(NCH)	C[6](C[6]C[6]O)2(CCN){3|C<3>}	C[6](C[6]C[6]C)2(OH){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(CH3)(NCH)	121.4000	0.000	1	121.4000	0.000	1	121.4000	0.000	1	121.4000	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(COO)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	C(C[6]C[6]2)(O)2	121.7383	0.664	3	121.7383	0.441	3	121.5230	0.312	5	123.2919	5.383	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]C)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|N<3>,2|H<1>}	C(C[6]C[6]2)(O)2	121.2000	0.132	2	121.2000	0.017	2	121.5230	0.312	5	123.2919	5.383	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]2)(C[6]C[6]C)2	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)2	122.6970	0.000	1	122.6970	0.000	1	122.6970	0.000	1	123.2919	5.383	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(COO)	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]2)(C[6]N[6]H)(COO){2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C(C[6]C[6]2)(O)2	122.9740	0.000	1	122.9740	0.000	1	122.9740	0.000	1	123.2919	5.383	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CHH)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CHH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH){1|O<1>,2|C<3>}	C(C[6]C[6]2)(H)2	122.7250	0.000	1	122.7250	0.000	1	121.6670	1.110	3	123.2919	5.383	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH)	C[6](C[6]C[6]C)(C[6]C[6]O)(NFeC)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(NFeC){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)2	120.6180	0.000	1	120.6180	0.000	1	121.6670	1.110	3	123.2919	5.383	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH)	C[6](C[6]C[6]C)2(NTiC)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)2(NTiC){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)2	121.6580	0.000	1	121.6580	0.000	1	121.6670	1.110	3	123.2919	5.383	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]N)2(CHO)	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]N)2(CHO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]2)(H)(O)	120.6590	0.676	2	120.6590	0.457	2	120.6590	0.457	2	123.2919	5.383	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]N)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]N)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(O)2	123.2728	0.863	4	123.2728	0.745	4	123.2728	0.745	4	123.2919	5.383	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(C[6]N[6]C)(CHH)	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(CHH){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(H)2	121.4345	0.042	2	121.4345	0.002	2	121.4345	0.002	2	123.2919	5.383	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:H-1:O-1:	C[6](C[6]N[6]N)(C[6]N[6]O)(CHO)	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH)	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(CHO){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH){1|N<3>,1|O<1>,1|S<1>}	C(C[6]C[6]2)(H)(O)	122.0290	0.000	1	122.0290	0.000	1	122.0290	0.000	1	123.2919	5.383	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]C)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]C){1|C<3>,2|H<1>}	C(C[6]C[6]2)(O)2	123.8500	0.000	1	123.8500	0.000	1	122.3208	1.060	4	123.2919	5.383	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(O)2	121.7130	0.058	2	121.7130	0.003	2	122.3208	1.060	4	123.2919	5.383	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(O)2	122.0070	0.000	1	122.0070	0.000	1	122.3208	1.060	4	123.2919	5.383	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(COO){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C(C[6]C[6]2)(O)2	124.4730	0.338	2	124.4730	0.114	2	124.4730	0.114	2	123.2919	5.383	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(COO)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]C)	C(C[6]C[6]2)(O)2	C[6](C[6]C[5]N[6])(C[6]C[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(O)2	128.0670	0.553	2	128.0670	0.306	2	128.3490	0.245	4	123.2919	5.383	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(COO)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]C)	C(C[6]C[6]2)(O)2	C[6](C[6]C[5]N[6])(C[6]C[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(O)2	128.6310	0.335	2	128.6310	0.112	2	128.3490	0.245	4	123.2919	5.383	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(COO){1|C<3>,2|H<1>}	C(C[6]C[6]2)(O)2	123.6775	0.457	2	123.6775	0.209	2	124.1173	0.685	3	123.2919	5.383	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(COO){1|C<3>,2|H<1>}	C(C[6]C[6]2)(O)2	124.9970	0.000	1	124.9970	0.000	1	124.1173	0.685	3	123.2919	5.383	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-1:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(O)2	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(O)2	126.0990	0.000	1	126.0990	0.000	1	126.0990	0.000	1	123.2919	5.383	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-1:O-1:	C[6](N[6]C[6]Zn)(C[6]N[6]C)(COO)	C[6](N[6]C[6]Zn)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(O)2	C[6](N[6]C[6]Zn)(C[6]N[6]C)(COO){1|Zn<6>,2|C<3>}	C[6](N[6]C[6]Zn)(C[6]N[6]C)(COO){1|Zn<6>,2|C<3>}	C(C[6]C[6]N[6])(O)2	124.2540	0.000	1	124.2540	0.000	1	124.2540	0.000	1	123.2919	5.383	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	As[6]-3:C[6]-3:C-3:	As[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](As[6]C[6]C)(C[6]As[6]C)(COO)	C[6](As[6]C[6]C)(C[6]As[6]C)(COO)	C(C[6]As[6]C[6])(OC)(O)	C[6](As[6]C[6]C)(C[6]As[6]C)(COO){1|C<4>,2|C<3>}	C[6](As[6]C[6]C)(C[6]As[6]C)(COO){1|C<4>,2|C<3>}	C(C[6]As[6]C[6])(OC)(O)	121.5194	1.993	10	121.5194	3.971	10	121.5194	3.971	10	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N)(COO)	C[6](C[6]C[5a,6]C)(C[6]O[6]N)(NC[6a]H)	C(C[6]C[5a,6]C[6])(OC)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N)(COO){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]C)(C[6]O[6]N)(NC[6a]H){2|C<3>}	C(C[6]C[5a,6]C[6])(OC)(O)	124.6670	0.000	1	124.6670	0.000	1	124.6670	0.000	1	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	N[5a,6]-3:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)(COO)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C)(NHH)	C(C[6]C[6,6a]C[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)(COO){1|H<1>,1|N<2>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C)(NHH){1|N<2>,3|C<3>}	C(C[6]C[6,6a]C[6])(OC)(O)	114.6110	0.000	1	114.6110	0.000	1	114.6110	0.000	1	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]C)(COO)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]C)(COO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C(C[6]C[6]2)(OC)(O)	116.1860	0.000	1	116.1860	0.000	1	116.1860	0.000	1	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]C)(COO)	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]C)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|H<1>,5|C<3>}	C(C[6]C[6]2)(OC)(O)	118.6010	0.000	1	118.6010	0.000	1	118.6010	0.000	1	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(COO)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(COO){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	122.6840	0.000	1	122.6840	0.000	1	122.6840	0.000	1	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a]H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a]H){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	121.3130	0.000	1	121.3130	0.000	1	121.3130	0.000	1	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(COO){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|O<1>,3|H<1>,5|C<3>}	C(C[6]C[6]2)(OC)(O)	120.7920	0.000	1	120.7920	0.000	1	122.0545	3.188	2	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(COO){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){2|C<3>,2|H<1>,2|O<1>,3|N<3>}	C(C[6]C[6]2)(OC)(O)	123.3170	0.000	1	123.3170	0.000	1	122.0545	3.188	2	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(COO){1|N<3>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(COO){1|C<4>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	117.3420	0.000	1	117.3420	0.000	1	120.2439	3.185	8	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(COO){1|Ru<9>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	121.6890	0.000	1	121.6890	0.000	1	120.2439	3.185	8	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(COO)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	121.8470	0.000	1	121.8470	0.000	1	120.2439	3.185	8	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]C)(C[6]N[6]C)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]C)(C[6]N[6]C)(COO){1|C<4>,2|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(COO){1|N<3>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	120.1570	0.000	1	120.1570	0.000	1	120.2439	3.185	8	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]C)(C[6]N[6]H)(COO){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	120.9050	0.000	1	120.9050	0.000	1	120.2439	3.185	8	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]C)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|N<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	121.1975	0.216	2	121.1975	0.047	2	120.2439	3.185	8	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]Si[6]C)(C[6]C[6]C)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]Si[6]C)(C[6]C[6]C)(COO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]H){1|Si<4>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	117.6160	0.000	1	117.6160	0.000	1	120.2439	3.185	8	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(COO)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C)	C(C[6]C[6]2)(OFe)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(COO){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C){2|O<1>,5|C<3>}	C(C[6]C[6]2)(OFe)(O)	123.1540	1.404	2	123.1540	1.972	2	122.7203	1.550	3	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(COO)	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]2)(C[6]N[6]H)(COO){2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C(C[6]C[6]2)(OH)(O)	121.8530	0.000	1	121.8530	0.000	1	122.7203	1.550	3	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]C[6]N)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|C<2>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	120.6990	0.000	1	120.6990	0.000	1	120.6990	0.000	1	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(COO){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	116.9330	0.430	2	116.9330	0.185	2	118.0030	3.527	3	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]S)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]S)(COO){1|H<1>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	120.1430	0.000	1	120.1430	0.000	1	118.0030	3.527	3	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]C)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]C){2|H<1>,4|C<3>}	C(C[6]C[6]2)(OC)(O)	122.0470	0.000	1	122.0470	0.000	1	122.8158	4.894	5	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]C)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]C){2|H<1>,4|C<3>}	C(C[6]C[6]2)(OC)(O)	122.7350	4.244	2	122.7350	18.012	2	122.8158	4.894	5	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]C)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]C){2|H<1>,4|C<3>}	C(C[6]C[6]2)(OC)(O)	123.2810	0.727	2	123.2810	0.528	2	122.8158	4.894	5	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(NCH)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	120.1100	0.000	1	120.1100	0.000	1	120.1997	0.984	13	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6]H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	121.3170	0.000	1	121.3170	0.000	1	120.1997	0.984	13	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]C)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]C){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	122.2620	0.000	1	122.2620	0.000	1	120.1997	0.984	13	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	120.6705	0.859	2	120.6705	0.738	2	120.1997	0.984	13	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	119.6958	0.663	8	119.6958	0.440	8	120.1997	0.984	13	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,3|H<1>,4|C<3>}	C(C[6]C[6]2)(OC)(O)	118.9500	0.000	1	123.6777	16.830	3	124.1808	10.412	8	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	126.0415	0.367	2	123.6777	16.830	3	124.1808	10.412	8	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	121.5220	0.000	1	121.5995	0.012	2	124.1808	10.412	8	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	121.6770	0.000	1	121.5995	0.012	2	124.1808	10.412	8	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C(C[6]C[6]2)(OC[3])(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(OC[3])(O)	123.7860	0.000	1	123.7860	0.000	1	124.1808	10.412	8	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(COO){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C(C[6]C[6]2)(OC)(O)	127.7140	0.057	2	127.7140	0.003	2	124.1808	10.412	8	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6,6a]Co)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO){1|Co<6>,2|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]C)(COO){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	121.5950	0.000	1	121.5950	0.000	1	125.0267	13.746	17	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6,6a]Co)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO){1|Co<6>,2|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]C)(COO){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	130.7460	0.000	1	130.7460	0.000	1	125.0267	13.746	17	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	118.8040	0.000	1	118.8040	0.000	1	125.0267	13.746	17	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO){1|Zn<6>,2|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]C)(COO){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	120.1840	0.000	1	120.1840	0.000	1	125.0267	13.746	17	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO){1|Zn<6>,2|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]C)(COO){1|H<1>,2|C<3>}	C(C[6]C[6]2)(OH)(O)	129.4373	0.089	3	129.4373	0.008	3	125.0267	13.746	17	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(COO)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO){1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	120.5580	0.000	1	120.5580	0.000	1	125.0267	13.746	17	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]C)(C[6]N[6]C)(COO)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]C)(C[6]N[6]C)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(COO){6|C<3>}	C(C[6]C[6]2)(OC)(O)	122.9770	0.000	1	122.9770	0.000	1	125.0267	13.746	17	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OCd)(O)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(COO){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OCd)(O)	124.7690	0.000	1	124.7690	0.000	1	125.0267	13.746	17	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6]Co)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OCo)(O)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(COO){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OCo)(O)	123.5500	0.000	1	123.5500	0.000	1	125.0267	13.746	17	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6]Co)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(COO){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	126.6785	2.180	2	126.6785	4.752	2	125.0267	13.746	17	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OCu)(O)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(COO){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OCu)(O)	124.3485	1.678	2	124.3485	2.816	2	125.0267	13.746	17	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(COO){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	128.4840	0.000	1	128.4840	0.000	1	125.0267	13.746	17	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(COO){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	123.4210	0.000	1	123.4210	0.000	1	125.0267	13.746	17	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(COO)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(COO){1|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){4|H<1>,6|C<3>}	C(C[6]C[6]2)(OC)(O)	121.3950	0.000	1	121.3950	0.000	1	121.3950	0.000	1	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]C)(N[6]C[6]C)(COO)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[6]C)(N[6]C[6]C)(COO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6])(OC)(O)	121.5905	0.182	2	121.5905	0.033	2	122.7167	3.821	3	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]C)(N[6]C[6]S)(COO)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[6]C)(N[6]C[6]S)(COO){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]N[6])(OC)(O)	124.9690	0.000	1	124.9690	0.000	1	122.7167	3.821	3	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	N[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C-2:H-1:	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6a]C[6])(CCH)	C[6](C[6]C[6,6a]C)(C[6]N[5,6]C)(C[6a]C[6a]2)	C(C[6]N[5,6]C[6])(CN)(H)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6a]C[6])(CCH){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[5,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C(C[6]N[5,6]C[6])(CN)(H)	120.6130	0.000	1	120.6130	0.000	1	120.5190	0.008	3	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	N[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C-2:H-1:	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6a]C[6])(CCH)	C[6](C[6]C[6,6a]C[6a])(C[6]N[5,6]C)(C[6a]C[6a]2)	C(C[6]N[5,6]C[6])(CN)(H)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6a]C[6])(CCH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]N[5,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C(C[6]N[5,6]C[6])(CN)(H)	120.4720	0.054	2	120.4720	0.003	2	120.5190	0.008	3	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(COO){6|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(COO){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(OC)(O)	123.2090	0.000	1	123.2090	0.000	1	124.4819	4.757	19	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Co)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OCo)(O)	C[6](N[6]C[6,6a]Co)(C[6]C[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO){1|Co<6>,2|C<3>}	C(C[6]C[6]N[6])(OCo)(O)	124.2100	3.527	2	124.2100	12.440	2	124.4819	4.757	19	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OC)(O)	121.7700	0.000	1	121.7700	0.000	1	124.4819	4.757	19	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]Zn)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OZn)(O)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO){1|Zn<6>,2|C<3>}	C(C[6]C[6]N[6])(OZn)(O)	125.8323	1.593	4	125.8323	2.539	4	124.4819	4.757	19	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cd)(C[6]C[6]C)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OCd)(O)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Cd<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCd)(O)	121.9240	0.000	1	121.9240	0.000	1	124.4819	4.757	19	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Co)(C[6]C[6]C)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OCo)(O)	C[6](N[6]C[6]Co)(C[6]C[6]C)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCo)(O)	124.9670	3.291	3	124.9670	10.828	3	124.4819	4.757	19	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]C)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OCu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCu)(O)	124.1690	0.532	2	125.5873	6.176	3	124.4819	4.757	19	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cu)(C[6]C[6]C)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OCu)(O)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Cu<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OCu)(O)	128.4240	0.000	1	125.5873	6.176	3	124.4819	4.757	19	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Pd)(C[6]C[6]C)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OPd)(O)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Pd<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OPd)(O)	123.6970	0.154	2	123.6970	0.024	2	124.4819	4.757	19	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Pt)(C[6]C[6]C)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OPt)(O)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Pt<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OPt)(O)	124.6790	0.000	1	124.6790	0.000	1	124.4819	4.757	19	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Zn)(C[6]C[6]C)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OZn)(O)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Zn<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(OZn)(O)	122.7690	0.000	1	122.7690	0.000	1	124.4819	4.757	19	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Cu)(C[6]N[6]C)(COO)	C[6](N[6]C[6]Cu)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OCu)(O)	C[6](N[6]C[6]Cu)(C[6]N[6]C)(COO){1|Cu<6>,2|C<3>}	C[6](N[6]C[6]Cu)(C[6]N[6]C)(COO){1|Cu<6>,2|C<3>}	C(C[6]C[6]N[6])(OCu)(O)	128.1820	0.000	1	128.1820	0.000	1	124.8795	21.813	2	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6]Zn)(C[6]N[6]C)(COO)	C[6](N[6]C[6]Zn)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OZn)(O)	C[6](N[6]C[6]Zn)(C[6]N[6]C)(COO){1|Zn<6>,2|C<3>}	C[6](N[6]C[6]Zn)(C[6]N[6]C)(COO){1|Zn<6>,2|C<3>}	C(C[6]C[6]N[6])(OZn)(O)	121.5770	0.000	1	121.5770	0.000	1	124.8795	21.813	2	122.5363	10.177	104	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:2:2:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-2:	C[6](N[6]C[6]Cu)(C[6]N[6]C)(COO)	C[6](N[6]C[6]Cu)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OCu)(OH)	C[6](N[6]C[6]Cu)(C[6]N[6]C)(COO){1|Cu<6>,2|C<3>}	C[6](N[6]C[6]Cu)(C[6]N[6]C)(COO){1|Cu<6>,2|C<3>}	C(C[6]C[6]N[6])(OCu)(OH)	128.2620	0.000	1	128.2620	0.000	1	128.2620	0.000	1	128.2620	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6a]-3:N[6]-3:	C[6]-3:C[6a]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CC[6a]O)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]C)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CC[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]C){4|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	121.0990	0.000	1	121.0990	0.000	1	121.0990	0.000	1	123.2947	4.525	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C-3:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(CHH)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C(C[6]C[6]2)(CHH)(O)	120.1440	0.000	1	120.1440	0.000	1	120.1440	0.000	1	123.2947	4.525	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]C)2(CCH)	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CCC)	C(C[6]C[6]2)(CCC)(H)	C[6](C[6]C[6]C)2(CCH){1|Si<4>,2|H<1>}	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CCC){1|C<3>,3|C<4>}	C(C[6]C[6]2)(CCC)(H)	125.0480	0.000	1	125.0480	0.000	1	124.1475	1.622	2	123.2947	4.525	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C-3:H-1:	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[3]H)	C(C[6]C[6]2)(CC[3]H)(H)	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CCH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[3]H){1|Si<4>,2|H<1>}	C(C[6]C[6]2)(CC[3]H)(H)	123.2470	0.000	1	123.2470	0.000	1	124.1475	1.622	2	123.2947	4.525	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(CNO)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CNO){1|Hg<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NCC)(O)	122.2900	0.000	1	122.2900	0.000	1	123.4797	1.951	4	123.2947	4.525	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCO)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]C)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CCO){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCC)(O)	124.6705	0.425	2	124.6705	0.181	2	123.4797	1.951	4	123.2947	4.525	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(CNO)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]C)(C[6]N[6]H)(CNO){1|Hg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CNO){1|N<3>,2|H<1>}	C(C[6]C[6]2)(NCC)(O)	122.2880	0.000	1	122.2880	0.000	1	123.4797	1.951	4	123.2947	4.525	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]H)	C[6](C[6]Si[6]C)(C[6]C[6]C)(COO)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]H){1|Si<4>,2|C<3>}	C[6](C[6]Si[6]C)(C[6]C[6]C)(COO){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	122.3460	0.000	1	122.3460	0.000	1	122.3460	0.000	1	123.2947	4.525	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]O)(NCH)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(NCH){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(CCH)(H)	126.7040	0.000	1	126.7040	0.000	1	126.7040	0.000	1	123.2947	4.525	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(NCuC)	C(C[6]C[6]2)(NCuC)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NCuC){1|C<2>,2|H<1>}	C(C[6]C[6]2)(NCuC)(H)	125.0790	0.000	1	125.0790	0.000	1	125.0790	0.000	1	123.2947	4.525	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]N)2(CC[6a]O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	119.0060	0.000	1	119.0060	0.000	1	119.0060	0.000	1	123.2947	4.525	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:N[5]-3:O-1:	C[6](C[6]C[6]N[5])(C[6]N[6]H)(CN[5]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]2)	C(C[6]C[6]2)(N[5]C[5]2)(O)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(CN[5]O){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|C<4>,6|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(O)	122.0830	0.000	1	122.0830	0.000	1	122.0830	0.000	1	123.2947	4.525	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CC[6a]O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CC[6a]O){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	122.8070	0.000	1	122.8070	0.000	1	122.8070	0.000	1	123.2947	4.525	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:N-3:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]O)	C[6](C[6]C[6]C)(N[6]C[6]C)(NCH)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]O){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(NCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	121.5250	0.000	1	121.5250	0.000	1	121.5250	0.000	1	123.2947	4.525	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H){1|H<1>,3|C<3>,3|C<4>}	C(C[6]C[6]2)(CC[6]H)(H)	122.7550	0.000	1	122.7550	0.000	1	122.7550	0.000	1	123.2947	4.525	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	125.7015	1.500	2	125.7015	2.249	2	125.7015	2.249	2	123.2947	4.525	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CC[6a]O){1|C<4>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S){3|C<3>,5|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	122.8570	0.000	1	122.8570	0.000	1	122.8570	0.000	1	123.2947	4.525	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:O-1:	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(CC[6a]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]C)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(CC[6a]O){1|H<1>,7|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]C){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	122.8475	1.964	2	122.8475	3.856	2	122.8475	3.856	2	123.2947	4.525	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(CC[6a]H)	C[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(CC[6a]H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]O){1|N<3>,3|C<3>,4|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	127.9850	0.000	1	127.9850	0.000	1	127.9850	0.000	1	123.2947	4.525	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Zn)(C[6]C[6]N)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(NHH)	C(C[6]C[6]N[6])(NZnN)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]N)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(NHH){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NZnN)(H)	122.7370	0.000	1	122.7370	0.000	1	122.7370	0.000	1	123.2947	4.525	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CCH)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CCH)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CCH){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CCH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	122.6340	0.000	1	122.6340	0.000	1	122.6340	0.000	1	123.2947	4.525	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:3:3:	B[6]-3:C[6]-3:C-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](B[6]C[6a]C[6])(C[6]C[6a]C[6])(CC[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]B[6]C)	C(C[6]B[6]C[6])(C[6a]C[6a]2)2	C[6](B[6]C[6a]C[6])(C[6]C[6a]C[6])(CC[6a]2){7|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]B[6]C){2|F<1>,7|C<3>}	C(C[6]B[6]C[6])(C[6a]C[6a]2)2	120.7310	0.000	1	120.7310	0.000	1	120.7310	0.000	1	121.2345	0.507	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5a]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(NCH)	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5a]2){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>}	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	121.7380	0.000	1	121.7380	0.000	1	121.7380	0.000	1	121.2345	0.507	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C-4:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C(C[6]C[6]2)(CH3)(O)	120.3530	0.249	2	120.3530	0.062	2	120.3530	0.062	2	122.0341	8.618	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(CNO)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(CH3)(O)	120.3700	0.738	2	120.3700	0.545	2	120.3700	0.545	2	122.0341	8.618	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]Br)(C[6]C[6]C)(NOO)	C(C[6]C[6]2)(CCHH)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCO){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(NOO){1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(CCHH)(O)	121.5440	0.000	1	121.5440	0.000	1	120.0290	4.590	2	122.0341	8.618	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]N)2(CCO)	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]N)2(CCO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<2>}	C(C[6]C[6]2)(CH3)(O)	118.5140	0.000	1	118.5140	0.000	1	120.0290	4.590	2	122.0341	8.618	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C-4:O-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C(C[6]C[6]2)(CCHH)(O)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(CCO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C(C[6]C[6]2)(CCHH)(O)	118.7620	0.000	1	118.7620	0.000	1	118.7620	0.000	1	122.0341	8.618	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:4:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:Si-4:H-1:	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH)	C[6](C[6]C[6]C)(C[6]N[6]C)(CHH)	C(C[6]C[6]N[6])(SiC3)(H)	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(CHH){1|C<4>,1|H<1>,1|S<4>}	C(C[6]C[6]N[6])(SiC3)(H)	126.2275	0.244	2	126.2275	0.060	2	125.5273	0.745	4	122.0341	8.618	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:4:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:Si-4:H-1:	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCC)	C(C[6]C[6]N[6])(SiC3)(H)	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH){1|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CCC){1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6])(SiC3)(H)	124.8270	0.462	2	124.8270	0.214	2	125.5273	0.745	4	122.0341	8.618	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C-4:C-3:	C[6](C[6]C[6]C)2(CCC)	C[6](C[6]C[6]C)2(CCC)	C(C[6]C[6]2)(CH3)(CHH)	C[6](C[6]C[6]C)2(CCC){2|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(CCC){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)(CHH)	118.6465	0.186	2	118.6465	0.035	2	118.5943	0.025	3	118.6536	0.054	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C-4:C-3:	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CCC)	C[6](C[6]C[6]C)2(CCH)	C(C[6]C[6]2)(CH3)(CCH)	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CCC){1|C<3>,3|C<4>}	C[6](C[6]C[6]C)2(CCH){1|Si<4>,2|H<1>}	C(C[6]C[6]2)(CH3)(CCH)	118.4900	0.000	1	118.4900	0.000	1	118.5943	0.025	3	118.6536	0.054	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	C[6]-3:C-4:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(CCC)	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH)	C(C[6]C[6]2)(CH3)(CHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCC){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH){1|C<4>,3|H<1>}	C(C[6]C[6]2)(CH3)(CHH)	118.7425	0.370	2	118.7425	0.137	2	118.7425	0.137	2	118.6536	0.054	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:4:4:	C[6]-3:C[6]-3:C-3:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C-4:C-4:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(CCC)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(CH3)2	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(CCC){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2)(CH3)2	123.4360	0.000	1	123.4360	0.000	1	123.4360	0.000	1	124.6356	2.134	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:4:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]C)2(CCC)	C[6](C[6]C[6]C)2(CCC)	C(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]C)2(CCC){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(CCC){2|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)2	125.3238	1.659	4	124.8355	2.225	6	124.8355	2.225	6	124.6356	2.134	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	3:4:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]C)2(CCC)	C[6](C[6]C[6]C)2(CCC)	C(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]C)2(CCC){2|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(CCC){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)2	123.8590	0.100	2	124.8355	2.225	6	124.8355	2.225	6	124.6356	2.134	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[3]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[3]H)	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CCH)	C(C[3]Si[3,5]C[3]H)(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[3]H){1|Si<4>,2|H<1>}	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CCH){1|C<3>,1|H<1>,2|C<4>}	C(C[3]Si[3,5]C[3]H)(C[6]C[6]2)(H)	126.9590	0.000	1	126.9590	0.000	1	126.9590	0.000	1	126.9590	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:1:1:	C[6,6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CH3)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CHH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6]C[6])(H)2	122.7640	0.000	1	122.7640	0.000	1	122.7640	0.000	1	121.5627	3.059	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]C)2(CC[6a]HN)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(CHH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(CC[6a]HN){1|C<3>,2|H<1>}	C(C[6]C[6]2)(H)2	123.2660	0.000	1	123.2660	0.000	1	121.0061	3.508	8	121.5627	3.059	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(C[6]N[6]C)(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]N[6]C)(CHH){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(H)2	122.9525	0.026	2	122.9525	0.001	2	121.0061	3.508	8	121.5627	3.059	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)(C[6]P[6]H)(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)(C[6]P[6]H)(CHH){1|Sm<12>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C(C[6]C[6]2)(H)2	118.1780	0.000	1	118.1780	0.000	1	121.0061	3.508	8	121.5627	3.059	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]C)2(CHH)	C[6](C[6]C[6]C)2(CC[5]HH)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]C)2(CHH){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(CC[5]HH){1|C<3>,2|C<4>}	C(C[6]C[6]2)(H)2	120.1750	0.608	4	120.1750	0.369	4	121.0061	3.508	8	121.5627	3.059	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(O)2	123.4020	0.000	1	123.4020	0.000	1	123.4020	0.000	1	121.5627	3.059	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:1:1:	C[6]-3:N[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]C)(N[6]C[6]C)(CHH)	C[6](N[6]C[6]Ru)(C[6]N[6]C)(CH3)	C(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6]C)(CHH){1|Ru<5>,1|C<4>,1|C<5>}	C[6](N[6]C[6]Ru)(C[6]N[6]C)(CH3){2|Ru<5>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(H)2	121.6380	0.000	1	122.2690	0.796	2	122.2690	0.796	2	121.5627	3.059	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:1:1:	C[6]-3:N[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]C)(N[6]C[6]C)(CHH)	C[6](N[6]C[6]Ru)(C[6]N[6]C)(CH3)	C(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6]C)(CHH){1|Ru<5>,1|C<5>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]N[6]C)(CH3){2|Ru<5>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(H)2	122.9000	0.000	1	122.2690	0.796	2	122.2690	0.796	2	121.5627	3.059	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:2:1:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6a]C[6])(COO)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]O[6]CH)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6a]C[6])(COO){1|C<4>,1|H<1>,1|O<2>,2|O<1>,4|C<3>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]O[6]CH){1|S<4>,2|H<1>,3|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	122.1800	0.000	1	122.1800	0.000	1	122.1800	0.000	1	121.3260	5.138	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:2:1:	C[5a,6]-3:C[6]-3:C-3:	N[5a,6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C)(COO)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]C)(CH3)	C(C[6]C[5a,6]C[6])(OC)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]C)(CH3){1|N<2>,4|C<3>}	C(C[6]C[5a,6]C[6])(OC)(O)	121.9740	0.000	1	121.9740	0.000	1	121.9740	0.000	1	121.3260	5.138	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(COO)	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(COO){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(CH3){3|C<3>}	C(C[6]C[6,6a]C[6])(OC)(O)	119.0810	0.000	1	119.0810	0.000	1	119.0810	0.000	1	121.3260	5.138	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]C)(C[6]N[6]N)(COO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	121.1430	0.000	1	121.1430	0.000	1	121.1430	0.000	1	121.3260	5.138	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(NC[6a])(H)	123.6540	0.000	1	123.6540	0.000	1	121.6097	3.370	3	121.3260	5.138	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(NC[6a])(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NC[6a])(H)	121.0730	0.000	1	121.0730	0.000	1	121.6097	3.370	3	121.3260	5.138	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NN)(H)	120.1020	0.000	1	120.1020	0.000	1	121.6097	3.370	3	121.3260	5.138	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]C)(COO)	C[6](C[6]N[5a,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]C)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]C)(CH3){3|C<3>}	C(C[6]C[6]2)(OC)(O)	118.8870	0.000	1	118.8870	0.000	1	118.8870	0.000	1	121.3260	5.138	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OCo)(O)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(OCo)(O)	122.8340	0.000	1	122.8340	0.000	1	120.3332	9.239	6	121.3260	5.138	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(OH)(O)	124.8940	0.000	1	124.8940	0.000	1	120.3332	9.239	6	121.3260	5.138	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|S<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	119.2670	0.000	1	118.7770	0.480	2	120.3332	9.239	6	121.3260	5.138	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	118.2870	0.000	1	118.7770	0.480	2	120.3332	9.239	6	121.3260	5.138	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC[3])(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(OC[3])(O)	116.6240	0.000	1	116.6240	0.000	1	120.3332	9.239	6	121.3260	5.138	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]C)(C[6]N[6]S)(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[6]C)(C[6]N[6]S)(COO){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|N<2>,1|S<1>}	C(C[6]C[6]2)(OC)(O)	120.0930	0.000	1	120.0930	0.000	1	120.3332	9.239	6	121.3260	5.138	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:P-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(PO3)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]P)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(PO3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	120.7220	1.503	2	120.7220	2.260	2	120.7220	2.260	2	121.3260	5.138	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:S-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(SO3)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]H)(C[6]N[6]S)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(SO3){1|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	123.5780	0.000	2	123.5780	0.000	2	123.5780	0.000	2	121.3260	5.138	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:P-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]P)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(PO3)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6]P)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(PO3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OH)(O)	125.5460	0.000	1	125.5460	0.000	1	125.5460	0.000	1	121.3260	5.138	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:2:1:	S[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](S[6]C[6,6a]O)(C[6]N[6]C)(COO)	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3)	C(C[6]C[6]S[6])(OC)(O)	C[6](S[6]C[6,6a]O)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]S[6]C)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]S[6])(OC)(O)	121.8040	0.307	2	121.8040	0.094	2	121.8040	0.094	2	121.3260	5.138	21	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(CNO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(NCC)(O)	119.6710	0.000	1	119.6710	0.000	1	119.6710	0.000	1	121.2239	6.713	27	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H)	C[6](C[6]C[6]C)2(CH3)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)2(CH3){1|N<3>,2|O<1>}	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	119.7760	0.000	1	120.2385	0.428	2	120.2385	0.428	2	121.2239	6.713	27	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H)	C[6](C[6]C[6]C)2(CH3)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)2(CH3){1|N<3>,2|O<1>}	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	120.7010	0.000	1	120.2385	0.428	2	120.2385	0.428	2	121.2239	6.713	27	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]O)(CCH)	C[6](C[6]C[6]C)2(CH3)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]C)(C[6]N[6]O)(CCH){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)2(CH3){1|N<3>,2|O<1>}	C(C[6]C[6]2)(CCH)(H)	120.0690	0.000	1	120.0690	0.000	1	120.1190	16.985	3	121.2239	6.713	27	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]C)(C[6]O[6]O)(CCH)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6]C)(C[6]O[6]O)(CCH){2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCHH){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(COO)(H)	124.2650	0.000	1	124.2650	0.000	1	120.1190	16.985	3	121.2239	6.713	27	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]C)2(CCH)	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(CCC)(H)	C[6](C[6]C[6]C)2(CCH){1|Si<4>,2|H<1>}	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CH3){2|C<3>,2|C<4>}	C(C[6]C[6]2)(CCC)(H)	116.0230	0.000	1	116.0230	0.000	1	120.1190	16.985	3	121.2239	6.713	27	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(NCH)(H)	123.7600	0.182	2	123.7600	0.033	2	120.7213	6.486	9	121.2239	6.713	27	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	124.5420	0.000	1	124.5420	0.000	1	120.7213	6.486	9	121.2239	6.713	27	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(NCoN)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NCoN)(H)	117.9000	0.000	1	117.9000	0.000	1	120.7213	6.486	9	121.2239	6.713	27	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(NCuC)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NCuC)(H)	119.0970	0.000	1	119.0970	0.000	1	120.7213	6.486	9	121.2239	6.713	27	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(NFeN)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NFeN)(H)	119.2970	0.596	3	119.2970	0.356	3	120.7213	6.486	9	121.2239	6.713	27	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C(C[6]C[6]2)(NNiC)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NNiC)(H)	119.5420	0.000	1	119.5420	0.000	1	120.7213	6.486	9	121.2239	6.713	27	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(CH3)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	126.0490	0.000	1	126.0490	0.000	1	126.0490	0.000	1	121.2239	6.713	27	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]O){1|C<3>,2|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	123.0350	0.000	1	123.0350	0.000	1	123.0350	0.000	1	121.2239	6.713	27	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-3:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(CCO)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(CHH)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3){3|C<3>}	C(C[6]C[6]2)(CHH)(O)	119.1750	0.000	1	119.1750	0.000	1	119.1750	0.000	1	121.2239	6.713	27	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:	C[6](C[6]N[6]C)2(CHN)	C[6](N[6]C[6a]B[6])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(NBH)(H)	C[6](C[6]N[6]C)2(CHN){1|B<4>,2|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,4|C<3>}	C(C[6]C[6]2)(NBH)(H)	120.1740	2.755	2	120.1740	7.589	2	120.1740	7.589	2	121.2239	6.713	27	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(CNO)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(CNO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(NCC)(O)	118.0130	0.000	1	118.0130	0.000	1	118.0130	0.000	1	121.2239	6.713	27	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:O-1:	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]O){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3){1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	124.6230	0.000	1	124.6230	0.000	1	124.6230	0.000	1	121.2239	6.713	27	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]N[6])(CHH)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHH)(H)	122.5460	0.000	1	122.5460	0.000	1	122.5460	0.000	1	121.2239	6.713	27	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]N[6])(NC[6]Cu)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|Cu<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6]Cu)(H)	123.0650	0.292	4	123.0650	0.085	4	123.0650	0.085	4	121.2239	6.713	27	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:N-2:	C[6](C[6]C[6]C)(N[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]N[6])(COO)(NN)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(COO)(NN)	124.3890	0.000	1	124.3890	0.000	1	124.3890	0.000	1	122.0760	4.077	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:N-2:	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C(C[6]C[6]N[6])(CCO)(NN)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|Zn<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CCO)(NN)	120.9195	0.359	2	120.9195	0.129	2	120.9195	0.129	2	122.0760	4.077	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]2)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(CC3)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]2){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(CC3){1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	124.6000	1.997	2	124.6000	3.987	2	124.6000	3.987	2	123.8823	3.539	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(CHO)(CNN)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCC){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>}	C(C[6]C[6]2)(CHO)(CNN)	122.4470	0.000	1	122.4470	0.000	1	122.4470	0.000	1	123.8823	3.539	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:C-4:	C[6](N[6]C[6]Ir)(C[6]C[6]C)(CCC)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]N[6])(CC[6a]Ir)(CCHH)	C[6](N[6]C[6]Ir)(C[6]C[6]C)(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Ir<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(CC[6a]Ir)(CCHH)	127.8275	0.986	4	127.8275	0.973	4	127.8275	0.973	4	126.3966	1.210	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]C)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]N[6])(NC[6a]Co)(CCHH)	C[6](N[6]C[6]Co)(C[6]C[6]C)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Co<5>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(NC[6a]Co)(CCHH)	126.0267	0.647	6	126.0059	0.361	10	126.1846	0.922	27	126.3966	1.210	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Co)(C[6]C[6]C)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]N[6])(NC[6a]Co)(CCHH)	C[6](N[6]C[6]Co)(C[6]C[6]C)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Co<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Co)(CCHH)	125.9748	0.619	4	126.0059	0.361	10	126.1846	0.922	27	126.3966	1.210	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Cr)(C[6]C[6]C)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]N[6])(NC[6a]Cr)(CCHH)	C[6](N[6]C[6]Cr)(C[6]C[6]C)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Cr<6>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(NC[6a]Cr)(CCHH)	126.8672	0.391	4	127.0232	0.236	5	126.1846	0.922	27	126.3966	1.210	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Cr)(C[6]C[6]C)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]N[6])(NC[6a]Cr)(CCHH)	C[6](N[6]C[6]Cr)(C[6]C[6]C)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Cr<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Cr)(CCHH)	127.6470	0.000	1	127.0232	0.236	5	126.1846	0.922	27	126.3966	1.210	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Fe)(C[6]C[6]C)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]N[6])(NC[6a]Fe)(CCHH)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Fe<5>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(NC[6a]Fe)(CCHH)	126.6268	0.866	8	126.6268	0.749	8	126.1846	0.922	27	126.3966	1.210	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ni)(C[6]C[6]C)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C(C[6]C[6]N[6])(NC[6a]Ni)(CCHH)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Ni<5>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(CCHH)	124.6987	0.321	4	124.6987	0.103	4	126.1846	0.922	27	126.3966	1.210	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(CCO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)(O)	121.3110	0.000	1	121.3110	0.000	1	121.3110	0.000	1	119.5870	2.299	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]N[6]C)(C[6]N[6]S)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]N[6]C)(C[6]N[6]S)(CCO){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|N<2>,1|S<1>}	C(C[6]C[6]2)(CH3)(O)	120.9590	0.000	1	120.9590	0.000	1	120.9590	0.000	1	119.5870	2.299	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:4:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(CCO)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(CCO){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]2)(CH3)(O)	117.6820	0.000	1	117.6820	0.000	1	118.5550	0.574	3	119.5870	2.299	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:4:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(CCO)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3){3|C<3>}	C(C[6]C[6]2)(CH3)(O)	118.9915	0.066	2	118.9915	0.004	2	118.5550	0.574	3	119.5870	2.299	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:3:4:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-3:	C[6](C[6]C[6]C)2(CCC)	C[6](C[6]C[6]C)(C[6]O[6]O)(CC[6a]HH)	C(C[6]C[6]2)(CH3)(CHH)	C[6](C[6]C[6]C)2(CCC){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]O[6]O)(CC[6a]HH){1|C<3>,1|C<4>}	C(C[6]C[6]2)(CH3)(CHH)	120.9930	0.000	1	120.9930	0.000	1	120.9930	0.000	1	120.9930	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:1:	3:1:1:	C[6,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:O-1:	C[6]-3:H-1:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHO)	C[6](C[6]C[6,6]C)(C[6]C[6]CO)(O)	C(C[6]C[6,6]C[6])(H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]CO)(O){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6]C[6])(H)(O)	115.9340	0.000	1	115.9340	0.000	1	115.9340	0.000	1	115.9340	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:1:	3:2:1:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:O-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(O)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(COO){3|H<1>,4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[5,6]C[6])(OC)(O)	113.0600	0.000	1	113.0600	0.000	1	113.0600	0.000	1	118.0735	7.671	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:1:	3:2:1:	C[5a,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:O-2:O-1:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(COO)	C[6](C[6]C[5a,6]C)(C[6]O[6]CC)(H)	C(C[6]C[5a,6]C[6])(OC)(O)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(COO){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6]C[5a,6]C)(C[6]O[6]CC)(H){1|C<3>,1|S<2>}	C(C[6]C[5a,6]C[6])(OC)(O)	123.3080	0.000	1	123.3080	0.000	1	123.3080	0.000	1	118.0735	7.671	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:1:	3:2:1:	C[6,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(COO){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6])(OC)(O)	119.6640	0.000	1	119.6640	0.000	1	119.6640	0.000	1	118.0735	7.671	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:1:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]C)(C[6]N[6]CC)(H)	C(C[6]C[6,6a]C[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(OC)(O)	118.4416	1.369	5	117.6674	3.237	7	117.8471	3.033	8	118.0735	7.671	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:1:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]C)(C[6]N[6]CC)(H)	C(C[6]C[6,6a]C[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(OC)(O)	116.5800	0.000	1	117.6674	3.237	7	117.8471	3.033	8	118.0735	7.671	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:1:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]C)(C[6]N[6]CC)(H)	C(C[6]C[6,6a]C[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(OC)(O)	114.8840	0.000	1	117.6674	3.237	7	117.8471	3.033	8	118.0735	7.671	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:1:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)	C(C[6]C[6,6a]C[6])(OH)(O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(COO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(OH)(O)	119.1050	0.000	1	119.1050	0.000	1	117.8471	3.033	8	118.0735	7.671	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:1:	3:3:1:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:N-3:O-1:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(CNO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C(C[6]C[5,6]C[6])(NC[6a]H)(O)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(CNO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[5,6]C[6])(NC[6a]H)(O)	117.3170	0.000	1	117.3170	0.000	1	117.3170	0.000	1	117.7296	4.264	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:1:	3:3:1:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:O-1:	C[6]-3:C[6a]-3:O-1:	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(O)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6]O)(CC[6a]O){1|C<3>,5|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(O){1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	115.5920	0.000	1	115.5920	0.000	1	115.5920	0.000	1	117.7296	4.264	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]C)(C[6]C[6]Co2)(H)	C(C[6]C[6,6a]C[6])(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){2|Co<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]Co2)(H){2|C<3>}	C(C[6]C[6,6a]C[6])(CHH)(H)	119.4990	0.000	1	119.4990	0.000	1	119.4990	0.000	1	117.7296	4.264	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6a]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	119.3440	0.000	1	119.3440	0.000	1	119.3440	0.000	1	117.7296	4.264	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:O-1:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(O)	C(C[6]C[6,6a]C[6])(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(CCH)(H)	116.1900	0.000	1	116.1900	0.000	1	116.1900	0.000	1	117.7296	4.264	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:1:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:O-1:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(O)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	115.5840	0.000	1	115.5840	0.000	1	115.5840	0.000	1	117.7296	4.264	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:1:	3:3:1:	N[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:O-1:	C[6]-3:C[6a]-3:H-1:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(CC[6a]H)	C[6](C[6]N[5,6]C)(C[6]C[6]HH)(O)	C(C[6]N[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(CC[6a]H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]N[5,6]C)(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>}	C(C[6]N[5,6]C[6])(C[6a]C[6a]2)(H)	120.5810	0.000	1	120.5810	0.000	1	120.5810	0.000	1	117.7296	4.264	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:O-2:	C[6]-3:O-2:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(COO)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(OH)	C(C[6]C[5a,6]C[6])(OC)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(OH){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[5a,6]C[6])(OC)(O)	119.0960	0.000	1	119.0960	0.000	1	119.0960	0.000	1	121.8445	15.109	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:2:	3:2:1:	N[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:O-2:	C[6]-3:O-2:O-1:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(COO)	C[6](C[6]N[5,6]C)(C[6]C[6]HH)(OSi)	C(C[6]N[5,6]C[6])(OC)(O)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(COO){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]N[5,6]C)(C[6]C[6]HH)(OSi){1|H<1>,1|N<3>,2|C<3>}	C(C[6]N[5,6]C[6])(OC)(O)	124.5930	0.000	1	124.5930	0.000	1	124.5930	0.000	1	121.8445	15.109	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:3:	3:2:1:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:C-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]C)(C[6]O[6]CH)(COO)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6]C[5,6]C)(C[6]O[6]CH)(COO){1|C<3>,1|S<4>}	C(C[6]C[5,6]C[6])(OC)(O)	124.8000	0.000	1	124.8000	0.000	1	124.8000	0.000	1	125.4300	0.688	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:3:	3:2:1:	C[5a,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:C-3:	C[6]-3:O-2:O-1:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(COO)	C[6](C[6]C[5a,6]C)(C[6]O[6]CH)(COO)	C(C[6]C[5a,6]C[6])(OC)(O)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]C)(C[6]O[6]CH)(COO){1|C<3>,1|S<2>}	C(C[6]C[5a,6]C[6])(OC)(O)	125.1200	0.000	1	125.1200	0.000	1	125.1200	0.000	1	125.4300	0.688	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:3:	3:2:1:	N[4,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:C-3:	C[6]-3:O-2:O-1:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CCH)	C(C[6]N[4,6]C[6])(OH)(O)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CCH){1|C<3>,1|C<4>}	C(C[6]N[4,6]C[6])(OH)(O)	126.3700	0.000	1	126.3700	0.000	1	126.3700	0.000	1	125.4300	0.688	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:3:	3:3:1:	C[5a,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:C-3:	C[6]-3:C[6a]-3:O-1:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(CC[6a]O)	C[6](C[6]C[5a,6]C)(C[6]O[6]CH)(COO)	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(O)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(CC[6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]C)(C[6]O[6]CH)(COO){1|C<3>,1|S<2>}	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(O)	125.6170	0.000	1	125.6170	0.000	1	125.6170	0.000	1	122.6080	8.364	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:C-3:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CN[6]C)	C(C[6]C[6,6a]C[6])(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CN[6]C){2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(CHH)(H)	119.8490	0.000	1	119.8490	0.000	1	121.1035	3.148	2	122.6080	8.364	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:C-3:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)	C[6](C[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]H)	C(C[6]C[6,6a]C[6])(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	C(C[6]C[6,6a]C[6])(CNO)(H)	122.3580	0.000	1	122.3580	0.000	1	121.1035	3.148	2	122.6080	8.364	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:C-3:	C[6]-3:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]I)	C(C[6]C[6,6a]C[6])(CCFF)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]I){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6])(CCFF)(H)	121.7940	0.000	1	121.7940	0.000	1	121.7940	0.000	1	121.7940	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:4:	3:1:1:	N[4,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:C-4:	C[6]-3:O-1:O-1:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CH3)	C(C[6]N[4,6]C[6])(O)2	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CH3){1|C<3>,1|C<4>}	C(C[6]N[4,6]C[6])(O)2	125.8517	0.464	3	125.8517	0.215	3	125.5426	0.195	7	125.5426	0.195	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:4:	3:1:1:	N[4,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:C-4:	C[6]-3:O-1:O-1:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHO)	C(C[6]N[4,6]C[6])(O)2	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHO){1|C<3>,1|C<4>}	C(C[6]N[4,6]C[6])(O)2	125.5395	0.161	2	125.5395	0.026	2	125.5426	0.195	7	125.5426	0.195	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:4:	3:1:1:	N[4,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:C-4:	C[6]-3:O-1:O-1:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHS)	C(C[6]N[4,6]C[6])(O)2	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CHHS){1|C<3>,1|C<4>}	C(C[6]N[4,6]C[6])(O)2	125.0930	0.000	1	125.0930	0.000	1	125.5426	0.195	7	125.5426	0.195	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:4:	3:1:1:	N[4,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:C-4:	C[6]-3:O-1:O-1:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CN[6]HH)	C(C[6]N[4,6]C[6])(O)2	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CN[6]HH){1|C<3>,1|C<4>}	C(C[6]N[4,6]C[6])(O)2	125.0710	0.000	1	125.0710	0.000	1	125.5426	0.195	7	125.5426	0.195	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:4:	3:2:1:	N[4,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:C-4:	C[6]-3:O-2:O-1:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CH3)	C(C[6]N[4,6]C[6])(OH)(O)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CH3){1|C<3>,1|C<4>}	C(C[6]N[4,6]C[6])(OH)(O)	128.2390	0.000	1	128.2390	0.000	1	128.2390	0.000	1	128.2390	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	3:4:4:	3:4:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:C[6]-4:	C[6]-3:C-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(CCO)	C[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]C[6]HH)	C(C[6]C[6,6a]C[6])(CCHH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(CCO){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6,6a]C[6])(CCHH)(O)	121.4490	0.000	1	121.4490	0.000	1	121.4490	0.000	1	121.4490	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[3,6]-4:C[6]-3:O-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHO)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(O)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHO){2|C<4>,3|O<2>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(O){1|Br<1>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(H)(O)	115.8400	0.000	2	115.8400	0.000	2	115.8400	0.000	2	120.0650	23.801	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:1:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:Br-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHO)	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]C)(Br)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHO){2|C<4>,3|O<2>}	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]C)(Br){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2)(H)(O)	124.2900	0.000	2	124.2900	0.000	2	124.2900	0.000	2	120.0650	23.801	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:2:1:	C[5,6,6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:O-2:O-1:	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]O)(COO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(O)	C(C[6]C[5,6,6]C[6])(OC)(O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[6]C[6,6]O)(COO){1|H<1>,1|N<4>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]C)(O){3|H<1>,4|C<4>}	C(C[6]C[5,6,6]C[6])(OC)(O)	113.9740	0.000	1	113.9740	0.000	1	113.9740	0.000	1	119.2432	5.356	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(H)	C(C[6]C[6,6a]C[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(H){1|C<4>,4|C<3>}	C(C[6]C[6,6a]C[6])(OC)(O)	119.5940	0.000	1	119.5940	0.000	1	119.5940	0.000	1	119.2432	5.356	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]H)(C[6]O[6]O)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	121.3310	0.276	2	121.3310	0.076	2	121.3310	0.076	2	119.2432	5.356	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(OC)(O)	117.4640	0.683	2	117.4640	0.467	2	116.4347	3.412	3	119.2432	5.356	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]S[6])(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]S[6])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|S<2>,2|C<4>}	C(C[6]C[6]2)(OC)(O)	114.3760	0.000	1	114.3760	0.000	1	116.4347	3.412	3	119.2432	5.356	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:S-2:S-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CSS)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6]C[6]2)(SC)(S)	C[6](C[6]C[6]N)(C[6]C[6]O)(CSS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|N<3>,3|C<4>}	C(C[6]C[6]2)(SC)(S)	119.3560	0.406	8	119.3560	0.165	8	119.3491	0.144	9	119.2432	5.356	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:S-2:S-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CSS)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6]C[6]2)(SC[6])(S)	C[6](C[6]C[6]N)(C[6]C[6]O)(CSS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|N<3>,3|C<4>}	C(C[6]C[6]2)(SC[6])(S)	119.2940	0.000	1	119.2940	0.000	1	119.3491	0.144	9	119.2432	5.356	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:2:1:	N[5a,6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]H)(COO)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]C)(H)	C(C[6]N[5a,6]C[6])(OC)(O)	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]H)(COO){3|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]C)(H){1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C(C[6]N[5a,6]C[6])(OC)(O)	121.6090	0.000	1	121.6090	0.000	1	121.6090	0.000	1	119.2432	5.356	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[5,6]S)(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[5,6]S)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6])(OC)(O)	118.4090	0.000	1	118.4090	0.000	1	121.1933	8.169	3	119.2432	5.356	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(COO)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(H){1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6]N[6])(OC)(O)	124.1200	0.000	1	124.1200	0.000	1	121.1933	8.169	3	119.2432	5.356	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6]S)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6,6]S)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C(C[6]C[6]N[6])(OC)(O)	121.0510	0.000	1	121.0510	0.000	1	121.1933	8.169	3	119.2432	5.356	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:2:2:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:S-2:S-2:	C[6](C[6]C[6]O)2(CSS)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6]C[6]2)(SNi)2	C[6](C[6]C[6]O)2(CSS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<1>,3|C<4>}	C(C[6]C[6]2)(SNi)2	120.3420	0.334	2	120.3420	0.111	2	120.3420	0.111	2	120.3420	0.111	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:C[6a]-3:O-1:	C[6](C[6,6]C[3x6]O[6])(C[6]C[6,6]O)(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]C)(O)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6](C[6,6]C[3x6]O[6])(C[6]C[6,6]O)(CC[6a]O){1|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]C)(O){1|O<1>,1|O<2>,4|C<4>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	117.0637	0.600	3	117.0637	0.360	3	117.0637	0.360	3	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6]C)(H)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(CC[6a]O){2|O<2>,5|C<3>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6]C)(H){1|C<4>,3|C<3>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	118.7340	0.000	1	118.7340	0.000	1	118.7340	0.000	1	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]Br)(CCH)	C[6](C[5,6]C[5,6]C[5]Pd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]Br)(CCH){1|Pd<7>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Pd)(C[6]C[6]C)(H){1|Br<1>,1|C<3>,3|C<4>}	C(C[6]C[6]2)(CC[6a]H)(H)	120.8920	0.000	1	120.9050	0.000	2	120.9050	0.000	2	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]Br)(CCH)	C[6](C[5,6]C[5,6]C[5]Pd)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]Br)(CCH){1|Pd<7>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Pd)(C[6]C[6]C)(H){1|Br<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(CC[6a]H)(H)	120.9180	0.000	1	120.9050	0.000	2	120.9050	0.000	2	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[5,6]S)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[5,6]O)(C[6]C[5,6]S)(CC[6a]O){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(O){1|S<2>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	119.5790	0.000	1	119.5790	0.000	1	119.5790	0.000	1	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH)	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH){1|Cr<9>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CC[6]H)(H)	119.8410	0.000	1	119.8410	0.000	1	119.7567	0.040	3	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH)	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH){1|Cr<9>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CC[6a]H)(H)	119.7145	0.262	2	119.7145	0.069	2	119.7567	0.040	3	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O){3|H<1>,4|C<4>}	C(C[6]C[6]2)(CHH)(H)	115.2330	0.000	1	115.2330	0.000	1	115.2330	0.000	1	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CNO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(O)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CNO){1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(NHH)(O)	121.8015	1.457	2	121.8015	2.124	2	122.0923	1.316	3	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CNO)	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]C)(O)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CNO){1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]C)(O){1|H<1>,4|C<3>}	C(C[6]C[6]2)(NCH)(O)	122.6740	0.000	1	122.6740	0.000	1	122.0923	1.316	3	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)2(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6,6]O)2(CC[6a]O){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	120.6230	2.268	3	121.6536	4.701	5	121.6536	4.701	5	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)2(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6,6]O)2(CC[6a]O){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,4|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	123.1995	0.740	2	121.6536	4.701	5	121.6536	4.701	5	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NMgC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>}	C(C[6]C[6]2)(NMgC)(H)	118.6850	0.000	1	118.6850	0.000	1	118.6850	0.000	1	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(CNO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(CNO){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]2)(NCH)(O)	117.4720	0.000	1	117.4720	0.000	1	117.4720	0.000	1	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[5]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]H)	C[6](C[6]C[6]CO)(C[6]C[6]C)(O)	C(C[5]C[5]N[5])(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]H){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]N[5])(C[6]C[6]2)(H)	112.8310	0.000	1	112.8310	0.000	1	112.8310	0.000	1	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]H)	C[6](C[6]C[6]CO)(C[6]C[6]C)(O)	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]H){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>}	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	112.5170	0.000	1	112.5170	0.000	1	112.5170	0.000	1	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]O)2(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]O)2(CCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<1>,3|C<4>}	C(C[6]C[6]2)(CCH)(H)	120.9070	5.104	2	120.9070	26.050	2	120.9070	26.050	2	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CNO)	C[6](C[6]C[6,6]HN)(C[6]C[6]C)(O)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CNO){1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>}	C[6](C[6]C[6,6]HN)(C[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(NHH)(O)	119.6180	1.041	2	119.6180	1.083	2	120.6283	3.604	3	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]O)2(CNO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]O)2(CNO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	C(C[6]C[6]2)(NCH)(O)	122.6490	0.000	1	122.6490	0.000	1	120.6283	3.604	3	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	116.6730	0.000	1	116.6730	0.000	1	118.9134	7.333	5	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)2(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6]O)2(CC[6a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<1>,3|C<4>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	118.8005	2.191	2	118.8005	4.802	2	118.9134	7.333	5	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)2(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]O)2(CC[6a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	120.1465	4.055	2	120.1465	16.445	2	118.9134	7.333	5	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|N<3>,3|C<4>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(O)	115.3590	0.000	1	115.3590	0.000	1	118.6953	13.812	4	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]C[6]S)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]O)(C[6]C[6]S)(CC[6a]O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	115.5980	0.000	1	115.5980	0.000	1	118.6953	13.812	4	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]O)2(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	121.9120	0.137	2	121.9120	0.019	2	118.6953	13.812	4	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	Si[5,6]-4:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CCH)	C[6](Si[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[3]H)(H)	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CCH){1|C<3>,1|H<1>,2|C<4>}	C[6](Si[5,6]C[5]2C[6])(C[6]C[6]C)(H){4|Si<4>,1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(CC[3]H)(H)	115.5580	0.000	1	115.5580	0.000	1	115.5580	0.000	1	119.2229	9.003	38	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:N-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CNO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(O)	C(C[6]C[6]2)(NHH)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CNO){1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(NHH)(OH)	121.4100	0.000	3	121.4100	0.000	3	121.4100	0.000	3	118.9582	9.516	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]O)2(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)	C[6](C[6]C[6,6]O)2(CC[6a]O){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){2|C<4>,2|H<1>,2|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)	123.2930	0.000	1	120.2865	18.078	2	120.2865	18.078	2	118.9582	9.516	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]O)2(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)	C[6](C[6]C[6,6]O)2(CC[6a]O){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){2|O<1>,4|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)	117.2800	0.000	1	120.2865	18.078	2	120.2865	18.078	2	118.9582	9.516	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-3:O-2:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CCH)(OC)	C[6](C[6]C[6]O)2(CCO){1|C<3>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(CCH)(OC)	113.5280	0.000	1	113.5280	0.000	1	113.5280	0.000	1	118.9582	9.516	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:N-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CNO)	C[6](C[6]C[6,6]HN)(C[6]C[6]C)(O)	C(C[6]C[6]2)(NHH)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CNO){1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>}	C[6](C[6]C[6,6]HN)(C[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(NHH)(OH)	117.4310	0.000	3	117.4310	0.000	3	117.4310	0.000	3	118.9582	9.516	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)2(CC[6a]N)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NPdN)	C[6](C[6]C[6]H)2(CC[6a]N){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NPdN)	116.5940	0.000	1	116.5940	0.000	1	116.5940	0.000	1	120.0272	1.312	13	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[5a]-3:C[6]-3:N-3:	C[6](C[6]C[6]O)2(CC[5a]N)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(NCH)	C[6](C[6]C[6]O)2(CC[5a]N){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<1>,3|C<4>}	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(NCH)	120.0975	0.404	4	120.0975	0.163	4	120.1588	0.114	6	120.0272	1.312	13	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[5a]-3:C[6]-3:N-3:	C[6](C[6]C[6]O)2(CC[5a]N)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6]O)2(CC[5a]N){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<1>,3|C<4>}	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(NC[6a]H)	120.2815	0.182	2	120.2815	0.033	2	120.1588	0.114	6	120.0272	1.312	13	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:N-3:	C[6](C[6]C[6]O)2(CC[6a]N)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	C[6](C[6]C[6]O)2(CC[6a]N){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<1>,3|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	120.5772	0.805	4	120.5772	0.648	4	120.4677	0.423	6	120.0272	1.312	13	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:N-3:	C[6](C[6]C[6]O)2(CC[6a]N)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(NHH)	C[6](C[6]C[6]O)2(CC[6a]N){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<1>,3|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NHH)	120.2485	0.170	2	120.2485	0.029	2	120.4677	0.423	6	120.0272	1.312	13	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:N-3:C-4:	C[6](C[6]C[6]O)2(CCN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6]C[6]2)(NC[6a]H)(CH3)	C[6](C[6]C[6]O)2(CCN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(CH3)	120.3615	0.064	2	120.3615	0.004	2	120.3615	0.004	2	121.6134	3.140	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]HH)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CCN){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]C)(H){1|Ni<4>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]Ni)(CH3)	124.6590	0.000	1	124.6590	0.000	1	122.4480	3.667	3	121.6134	3.140	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]CH)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Zn)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Zn)(CH3)	121.3425	0.019	2	121.3425	0.000	2	122.4480	3.667	3	121.6134	3.140	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:1:	C[6,6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:C-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(CCO)	C[6](C[6,6]C[6]3)(C[6]C[6,6]C)(O)	C(C[6]C[6,6]C[6])(CH3)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(CCO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6]3)(C[6]C[6,6]C)(O){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C(C[6]C[6,6]C[6])(CH3)(O)	120.8280	0.000	1	120.8280	0.000	1	120.8280	0.000	1	121.3870	10.807	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]C)(O)	C(C[6]C[6,6a]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]C)(O){5|C<3>}	C(C[6]C[6,6a]C[6])(CCHH)(H)	115.5710	0.000	1	116.8787	1.333	3	116.8787	1.333	3	121.3870	10.807	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]C)(O)	C(C[6]C[6,6a]C[6])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCH){2|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]C)(O){5|C<3>}	C(C[6]C[6,6a]C[6])(CCHH)(H)	117.5325	0.317	2	116.8787	1.333	3	116.8787	1.333	3	121.3870	10.807	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCO)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,3|C<3>}	C(C[6]C[6]2)(CH3)(O)	122.7525	0.252	2	122.7525	0.064	2	122.7525	0.064	2	121.3870	10.807	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[6]C[6]2)(CH3)(O)	118.2735	0.530	2	118.2735	0.281	2	118.2735	0.281	2	121.3870	10.807	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]O)2(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CC3)(H)	C[6](C[6]C[6]O)2(CCH){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(CC3)(H)	115.8580	0.000	1	115.8580	0.000	1	115.8580	0.000	1	121.3870	10.807	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCO)	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CCCH)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCO){1|C<3>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O){1|C<3>,2|O<2>}	C(C[6]C[6]2)(CCCH)(O)	123.4923	0.066	3	123.4923	0.004	3	123.1646	5.657	13	121.3870	10.807	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C(C[6]C[6]2)(CH3)(O)	115.7160	0.000	1	115.7160	0.000	1	123.1646	5.657	13	121.3870	10.807	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CCCH)(O)	C[6](C[6]C[6]O)2(CCO){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<3>,2|O<2>}	C(C[6]C[6]2)(CCCH)(O)	123.9657	0.185	3	123.5122	0.449	5	123.1646	5.657	13	121.3870	10.807	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CCCH)(O)	C[6](C[6]C[6]O)2(CCO){1|C<3>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(CCCH)(O)	122.8320	0.431	2	123.5122	0.449	5	123.1646	5.657	13	121.3870	10.807	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]CO)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CCHH)(O)	C[6](C[6]C[6]O)2(CCO){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(O){1|C<3>,2|O<2>}	C(C[6]C[6]2)(CCHH)(O)	123.5110	0.000	1	123.5110	0.000	1	123.1646	5.657	13	121.3870	10.807	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CCHH)(O)	C[6](C[6]C[6]O)2(CCO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(CCHH)(O)	123.1780	0.000	1	123.1780	0.000	1	123.1646	5.657	13	121.3870	10.807	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-4:O-1:	C[6](C[6]N[6,6]H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]N[6,6]H)(C[6]C[6]O)(CCO){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(O)	125.3485	0.127	2	125.3485	0.016	2	123.1646	5.657	13	121.3870	10.807	22	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:2:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:C-4:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCO){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C(C[6]C[6]2)(CH3)(OH)	122.6760	0.000	1	122.6760	0.000	1	122.6760	0.000	1	120.4992	8.973	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:2:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-4:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCO)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCO){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(CH3)(OH)	117.6000	0.000	1	117.6000	0.000	1	119.7737	10.301	3	120.4992	8.973	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:2:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-4:O-2:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CCHH)(OH)	C[6](C[6]C[6]O)2(CCO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2)(CCHH)(OH)	118.2610	0.000	1	118.2610	0.000	1	119.7737	10.301	3	120.4992	8.973	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:2:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-4:O-2:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CCHH)(OH)	C[6](C[6]C[6]O)2(CCO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2)(CCHH)(OH)	123.4600	0.000	1	123.4600	0.000	1	119.7737	10.301	3	120.4992	8.973	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:3:	C[6,6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-4:C-3:	C[6](C[6,6]C[5,6,6]2)(C[6]C[6]O)(CCC)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]C)(O)	C(C[6]C[6,6]C[6])(CH3)(COO)	C[6](C[6,6]C[5,6,6]2)(C[6]C[6]O)(CCC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]C)(O){1|C<3>,3|C<4>}	C(C[6]C[6,6]C[6])(CH3)(COO)	117.6850	0.000	1	117.6850	0.000	1	117.6850	0.000	1	120.6974	6.052	10	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCN)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)(NCH)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCN){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,3|C<3>}	C(C[6]C[6]2)(CH3)(NCH)	120.5183	0.374	3	120.5183	0.140	3	120.5183	0.140	3	120.6974	6.052	10	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-4:C-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCC)	C[6](C[6]C[5]C[6]O)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(CHH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCC){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[6]2)(CH3)(CHH)	121.5780	0.000	1	121.5780	0.000	1	120.4760	0.917	3	120.6974	6.052	10	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-4:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(CCC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(CHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCC){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(CHH)	119.9250	0.115	2	119.9250	0.013	2	120.4760	0.917	3	120.6974	6.052	10	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-4:C-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)(CHH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCC){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C(C[6]C[6]2)(CH3)(CHH)	120.0460	0.000	1	120.0460	0.000	1	120.0460	0.000	1	120.6974	6.052	10	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:3:	C[6]-3:C[6]-3:C-3:	Si[5,6]-4:C[6]-3:H-1:	C[6]-3:C-4:C-3:	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CCC)	C[6](Si[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(CCH)	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CCC){1|C<3>,3|C<4>}	C[6](Si[5,6]C[5]2C[6])(C[6]C[6]C)(H){4|Si<4>,1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)(CCH)	119.2070	0.000	1	119.2070	0.000	1	119.2070	0.000	1	120.6974	6.052	10	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:3:	S[6]-3:C[6]-3:C-3:	B[6]-4:C[6]-3:H-1:	C[6]-3:C-4:C-3:	C[6](S[6]C[6a]C[6])(C[6]B[6]H)(CCC)	C[6](B[6]C[6a]2C[6])(C[6]S[6]C)(H)	C(C[6]C[6]S[6])(CH3)(CHH)	C[6](S[6]C[6a]C[6])(C[6]B[6]H)(CCC){6|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]S[6]C)(H){7|C<3>}	C(C[6]C[6]S[6])(CH3)(CHH)	127.0530	0.000	1	127.0530	0.000	1	127.0530	0.000	1	120.6974	6.052	10	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:4:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CCC)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)2	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CCC){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(CH3)2	122.2730	0.000	1	122.2730	0.000	1	122.6917	0.301	3	122.6917	0.301	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:4:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CCC)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)2	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CCC){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(CH3)2	123.3130	0.000	1	123.3130	0.000	1	122.6917	0.301	3	122.6917	0.301	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	3:4:4:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(CCC)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)2	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(CCC){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(CH3)2	122.4890	0.000	1	122.4890	0.000	1	122.6917	0.301	3	122.6917	0.301	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6,6]H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	C(C[6,6]C[3x6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6,6]H){2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){4|C<4>}	C(C[6,6]C[3x6]2H)(C[6]C[6]2)(H)	115.5250	0.000	1	115.5250	0.000	1	115.5250	0.000	1	118.7130	20.327	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(CC[6]H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	C(C[6]C[5,6]C[6]H)(C[6]C[6]2)(H)	C[6](C[6]C[6]O)(C[6]O[6]O)(CC[6]H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[5,6]C[6]H)(C[6]C[6]2)(H)	121.9010	0.000	1	121.9010	0.000	1	121.9010	0.000	1	118.7130	20.327	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:S-2:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[5,6]S)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(SC[6a])	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[5,6]O)(C[6]C[5,6]S)(CC[6a]O){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(SC[6a]){1|O<1>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	120.7100	0.000	1	120.7100	0.000	1	120.7100	0.000	1	119.5048	4.004	13	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-2:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)2(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6,6]O)2(CC[6a]O){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC){2|C<4>,2|H<1>,2|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	121.5590	0.000	1	121.5590	0.000	1	118.5026	3.059	5	119.5048	4.004	13	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-2:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)2(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6,6]O)2(CC[6a]O){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH){2|C<4>,2|H<1>,2|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	117.4005	0.104	2	117.7385	0.186	4	118.5026	3.059	5	119.5048	4.004	13	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-2:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)2(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6,6]O)2(CC[6a]O){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH){2|O<1>,4|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	118.0765	0.302	2	117.7385	0.186	4	118.5026	3.059	5	119.5048	4.004	13	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:N-2:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO){1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	123.1810	0.000	1	123.1810	0.000	1	123.1810	0.000	1	119.5048	4.004	13	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(NC[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6]H)(H)	121.3000	0.000	1	121.3000	0.000	1	121.3000	0.000	1	119.5048	4.004	13	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]O)2(CNO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]O)2(CNO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	C(C[6]C[6]2)(NCH)(O)	117.8030	0.000	1	117.8030	0.000	1	117.8030	0.000	1	119.5048	4.004	13	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	118.7210	0.000	1	118.7210	0.000	1	118.6163	0.020	3	119.5048	4.004	13	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]O)2(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	118.5640	0.154	2	118.5640	0.024	2	118.6163	0.020	3	119.5048	4.004	13	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:S-2:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]C[6]S)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(SC)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]O)(C[6]C[6]S)(CC[6a]O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(SC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	122.2060	0.000	1	122.2060	0.000	1	122.2060	0.000	1	119.5048	4.004	13	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:2:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:C-3:O-2:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC)	C(C[6]C[6]2)(CCH)(OC)	C[6](C[6]C[6]O)2(CCO){1|C<3>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC){1|C<4>,2|O<1>}	C(C[6]C[6]2)(CCH)(OC)	125.7370	0.000	1	125.7370	0.000	1	125.7370	0.000	1	125.7370	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:2:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:N-2:	C[6]-3:C-4:O-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NS)	C(C[6]C[6]2)(CCHH)(O)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(CCO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NS){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(CCHH)(O)	122.2550	0.000	1	122.2550	0.000	1	122.2550	0.000	1	118.4254	4.657	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:2:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(CCCH)(O)	C[6](C[6]C[6]O)2(CCO){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(CCCH)(O)	117.3380	0.000	1	117.3157	0.008	3	117.4680	0.098	4	118.4254	4.657	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:2:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(CCCH)(O)	C[6](C[6]C[6]O)2(CCO){1|C<3>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<4>,2|O<1>}	C(C[6]C[6]2)(CCCH)(O)	117.3045	0.124	2	117.3157	0.008	3	117.4680	0.098	4	118.4254	4.657	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:2:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(CCHH)(O)	C[6](C[6]C[6]O)2(CCO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2)(CCHH)(O)	117.9250	0.000	1	117.9250	0.000	1	117.4680	0.098	4	118.4254	4.657	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:2:1:	As[6]-3:C[6]-3:C-3:	As[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](As[6]C[6]C)(C[6]As[6]C)(COO)	C[6](As[6]C[6]PtC)(C[6]As[6]C)(COO)	C(C[6]As[6]C[6])(OC)(O)	C[6](As[6]C[6]C)(C[6]As[6]C)(COO){1|Pt<4>,1|C<4>,2|C<3>}	C[6](As[6]C[6]PtC)(C[6]As[6]C)(COO){1|C<4>,2|C<3>}	C(C[6]As[6]C[6])(OC)(O)	120.8966	1.775	12	120.8966	3.150	12	120.8966	3.150	12	122.8616	2.831	61	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(COO)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(COO){1|N<3>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]C)(COO){1|N<3>,1|O<1>,5|C<3>}	C(C[6]C[6]2)(OC)(O)	121.9690	0.000	1	121.9690	0.000	1	121.9690	0.000	1	122.8616	2.831	61	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]C)(COO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(COO){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	123.3370	0.000	1	123.3370	0.000	1	122.9173	0.378	3	122.8616	2.831	61	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]C)(C[6]O[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]C)(C[6]O[6]O)(COO){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(OH)(O)	122.7075	0.701	2	122.7075	0.491	2	122.9173	0.378	3	122.8616	2.831	61	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:S-2:S-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CSS)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C(C[6]C[6]2)(SC)(S)	C[6](C[6]C[6]N)(C[6]C[6]O)(CSS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	C(C[6]C[6]2)(SC)(S)	124.1746	0.324	8	124.1746	0.105	8	124.1507	0.097	9	122.8616	2.831	61	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:S-2:S-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CSS)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C(C[6]C[6]2)(SC[6])(S)	C[6](C[6]C[6]N)(C[6]C[6]O)(CSS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	C(C[6]C[6]2)(SC[6])(S)	123.9590	0.000	1	123.9590	0.000	1	124.1507	0.097	9	122.8616	2.831	61	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C){2|H<1>,3|C<2>,5|C<3>}	C(C[6]C[6]2)(OC)(O)	121.5500	0.000	1	121.5500	0.000	1	121.5500	0.000	1	122.8616	2.831	61	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	Si[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]Si[6]C)(C[6]C[6]C)(COO)	C[6](Si[6]C[6]CC)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]Si[6]C)(C[6]C[6]C)(COO){1|C<3>,1|H<1>,2|C<4>}	C[6](Si[6]C[6]CC)(C[6]C[6]C)(COO){3|C<3>}	C(C[6]C[6]2)(OC)(O)	119.3580	0.000	1	119.3580	0.000	1	119.3580	0.000	1	122.8616	2.831	61	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]C)(N[6]C[6]H)(COO)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[5,6]C)(N[6]C[6]H)(COO){1|N<3>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[6]C[6]N[6])(OC)(O)	124.3980	0.000	1	124.3980	0.000	1	124.3980	0.000	1	122.8616	2.831	61	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CHN)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(NC)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CHN){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	C(C[6]C[6]N[6])(NC)(H)	126.2305	0.066	2	126.2305	0.004	2	126.2305	0.004	2	122.8616	2.831	61	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:2:1:	N[3x6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[3x6]C[3x6]2)(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]CH)(C[6]N[3x6]C)(COO)	C(C[6]N[3x6]C[6])(OC)(O)	C[6](N[3x6]C[3x6]2)(C[6]C[6]C)(COO){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]N[3x6]C)(COO){2|C<3>,2|C<4>}	C(C[6]N[3x6]C[6])(OC)(O)	122.6250	0.000	1	122.6250	0.000	1	122.6250	0.000	1	122.8616	2.831	61	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:2:1:	N[5,6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C)(COO)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]C)(COO)	C(C[6]N[5,6]C[6])(OC)(O)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C)(COO){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]C)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C(C[6]N[5,6]C[6])(OC)(O)	121.2640	0.000	1	121.2640	0.000	1	121.2640	0.000	1	122.8616	2.831	61	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:2:1:	N[5,6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]CC)(C[6]N[5,6]C)(COO)	C(C[6]N[5,6]C[6])(OC)(O)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<2>,2|C<3>}	C[6](C[6]C[5,6]CC)(C[6]N[5,6]C)(COO){1|C<4>,3|C<3>}	C(C[6]N[5,6]C[6])(OC)(O)	121.0960	0.000	1	121.0960	0.000	1	121.0960	0.000	1	122.8616	2.831	61	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:2:1:	N[6,6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]C)(COO)	C[6](C[5,6]C[5,6a]N[5,6]C[6a])(C[6]N[6,6]C)(COO)	C(C[6]N[6,6]C[6])(OC)(O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]C)(COO){1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,6]C[6a])(C[6]N[6,6]C)(COO){1|C<4>,1|S<4>,5|C<3>}	C(C[6]N[6,6]C[6])(OC)(O)	122.8470	0.000	1	122.8470	0.000	1	122.8470	0.000	1	122.8616	2.831	61	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:2:1:	N[6,6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]CH)(C[6]N[6,6]C)(COO)	C(C[6]N[6,6]C[6])(OC)(O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(COO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]N[6,6]C)(COO){1|C<4>,3|C<3>}	C(C[6]N[6,6]C[6])(OC)(O)	124.1900	0.000	1	124.1900	0.000	1	124.1900	0.000	1	122.8616	2.831	61	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C(C[6]C[6]N[6])(OC)(O)	122.1660	0.000	1	123.5570	1.495	3	123.5570	1.495	3	122.8616	2.831	61	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO){6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO){1|N<3>,1|O<1>,5|C<3>}	C(C[6]C[6]N[6])(OC)(O)	124.2525	0.296	2	123.5570	1.495	3	123.5570	1.495	3	122.8616	2.831	61	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C(C[6]C[6]N[6])(OC)(O)	124.0990	0.000	1	124.0990	0.000	1	123.2723	0.760	23	122.8616	2.831	61	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,5|C<3>}	C(C[6]C[6]N[6])(OC)(O)	124.7260	0.000	1	123.9028	0.630	9	123.2723	0.760	23	122.8616	2.831	61	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|C<2>,4|C<3>}	C(C[6]C[6]N[6])(OC)(O)	124.0525	0.860	4	123.9028	0.630	9	123.2723	0.760	23	122.8616	2.831	61	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){5|C<3>}	C(C[6]C[6]N[6])(OC)(O)	123.5473	0.718	4	123.9028	0.630	9	123.2723	0.760	23	122.8616	2.831	61	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](C[6]N[6]HH)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]N[6]C)(COO){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(OC)(O)	122.7722	0.589	13	122.7722	0.347	13	123.2723	0.760	23	122.8616	2.831	61	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C-4:C[6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CCH)	C[6](CC[5,6]HH)(C[6]C[6]C)(C[6]C[6]O)	C(C[6]C[6]2)(CC[5,6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,1|O<1>}	C[6](CC[5,6]HH)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(CC[5,6]H)(H)	125.3683	2.674	3	125.3683	7.153	3	125.3683	7.153	3	124.3555	5.237	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C[6]-3:	C[6]-3:C-3:O-1:	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(C[6]C[6]C)	C(C[6]C[6]2)(CCC)(O)	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(CCO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(C[6]C[6]C){1|H<1>,3|C<4>,6|C<3>}	C(C[6]C[6]2)(CCC)(O)	127.1745	0.599	2	127.1745	0.359	2	127.1745	0.359	2	124.3555	5.237	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]S)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C(C[6]C[6]2)(CCC)(H)	C[6](C[6]C[6]C)(C[6]C[6]S)(CCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|S<4>,3|C<4>}	C(C[6]C[6]2)(CCC)(H)	121.5970	0.000	1	121.5970	0.000	1	121.5970	0.000	1	124.3555	5.237	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]C)(C[6]N[6]H)(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	123.7830	0.000	1	123.7830	0.000	1	123.7830	0.000	1	124.3555	5.237	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCH)	C[6](C[6]C[6]RuH)(C[6]C[6]C)(NC[6a]P)	C(C[6]C[6]2)(CC[6a]2)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCH){1|Ru<8>,1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]RuH)(C[6]C[6]C)(NC[6a]P){1|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]2)(H)	122.1945	0.914	2	122.1945	0.836	2	122.1945	0.836	2	124.3555	5.237	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]C)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]C){1|O<1>,3|C<4>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(O)	124.0630	0.000	1	124.0630	0.000	1	124.0630	0.000	1	124.3555	5.237	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){3|C<3>,3|H<1>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	123.6240	0.000	1	123.6240	0.000	1	123.6240	0.000	1	124.3555	5.237	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C-4:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CHH)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[5,6]C)(C[6]C[6,6]H)(CCO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CH3)(O)	122.6860	0.000	1	122.6860	0.000	1	122.6860	0.000	1	119.9270	3.865	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]CO)(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(CCCH)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCO){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(NHH){1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(CCCH)(O)	119.0073	0.850	3	119.0073	0.722	3	119.0073	0.722	3	119.9270	3.865	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-4:C-3:	C[6](C[6]C[6]C)2(CCC)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)	C(C[6]C[6]2)(CH3)(CHH)	C[6](C[6]C[6]C)2(CCC){2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH){3|C<3>}	C(C[6]C[6]2)(CH3)(CHH)	122.4435	0.235	2	122.4435	0.055	2	121.2240	4.489	3	121.2240	4.489	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:4:3:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-4:C-3:	C[6](C[6]C[6]C)2(CCC)	C[6](C[6]O[6]HH)(C[6]C[6]C)(CC[6a]H)	C(C[6]C[6]2)(CH3)(CHH)	C[6](C[6]C[6]C)2(CCC){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(CC[6a]H){1|C<3>,1|C<4>}	C(C[6]C[6]2)(CH3)(CHH)	118.7850	0.000	1	118.7850	0.000	1	121.2240	4.489	3	121.2240	4.489	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:4:4:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C-4:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CCC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)	C(C[6]C[6]2)(CH3)2	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CCC){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6]2)(CH3)2	124.8550	0.000	1	125.4645	0.743	2	125.4645	0.743	2	125.4523	0.309	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:4:4:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C-4:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CCC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)	C(C[6]C[6]2)(CH3)2	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CCC){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6]2)(CH3)2	126.0740	0.000	1	125.4645	0.743	2	125.4645	0.743	2	125.4523	0.309	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:3:	3:4:4:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]C)2(CCC)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCC)	C(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]C)2(CCC){2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCC){3|C<3>}	C(C[6]C[6]2)(CH3)2	125.4400	0.427	2	125.4400	0.182	2	125.4400	0.182	2	125.4523	0.309	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:4:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(COO){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	122.2140	0.000	1	122.2140	0.000	1	122.2140	0.000	1	121.9007	0.277	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:4:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	121.2930	0.000	1	121.2930	0.000	1	121.2930	0.000	1	121.9007	0.277	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:4:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]C)(N[6]C[6]S)(COO)	C[6](C[6]C[6]HH)(C[6]N[6]C)(CH3)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[6]C)(N[6]C[6]S)(COO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]N[6]C)(CH3){1|C<4>,1|S<4>,2|O<2>}	C(C[6]C[6]N[6])(OC)(O)	122.1950	0.000	1	122.1950	0.000	1	122.1950	0.000	1	121.9007	0.277	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2)(CHH)(H)	125.0590	0.000	1	125.0590	0.000	1	125.0590	0.000	1	122.4155	13.976	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:S-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]S)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	C(C[6]C[6]2)(CCC)(H)	C[6](C[6]C[6]C)(C[6]C[6]S)(CCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|C<3>,3|C<4>}	C(C[6]C[6]2)(CCC)(H)	119.7720	0.000	1	119.7720	0.000	1	119.7720	0.000	1	122.4155	13.976	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:4:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CCO)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCO){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<4>}	C(C[6]C[6]2)(CH3)(O)	125.1800	0.000	1	125.1800	0.000	1	123.4580	5.931	2	123.4580	5.931	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:4:	3:4:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2)(CH3)(O)	121.7360	0.000	1	121.7360	0.000	1	123.4580	5.931	2	123.4580	5.931	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)	C(C[6,6]C[3x6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6,6]H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH){1|O<1>,2|H<1>,4|C<4>}	C(C[6,6]C[3x6]2H)(C[6]C[6]2)(H)	124.3870	0.000	1	124.3870	0.000	1	124.3870	0.000	1	124.3870	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:3:3:	4:4:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-4:C[6]-3:	C[6]-3:C-3:O-1:	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]C)	C(C[6]C[6]2)(CCC)(O)	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(CCO){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]C){2|H<1>,3|C<4>,6|C<3>}	C(C[6]C[6]2)(CCC)(O)	126.6900	0.000	1	126.6900	0.000	1	126.6900	0.000	1	126.6900	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-4:C-3:	C[5a,6]-3:C[6]-3:O-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CHH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CHH){2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)2	119.7150	0.000	1	119.7150	0.000	1	119.7150	0.000	1	121.6054	2.919	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6,6a]Cl)(C[6]C[6]HH)(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6a]Cl)(C[6]C[6]HH)(CHO){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(H)(O)	123.7980	0.000	1	123.7980	0.000	1	123.7980	0.000	1	121.6054	2.919	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6a]H)(C[6]N[6]CH)(CHO){1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(H)(O)	120.7090	0.000	1	120.7090	0.000	1	120.7680	0.007	2	121.6054	2.919	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]HH)(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6a]H)(C[6]O[6]HH)(CHO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(H)(O)	120.8270	0.000	1	120.8270	0.000	1	120.7680	0.007	2	121.6054	2.919	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:1:1:	C[6]-3:C[6]-4:C-3:	N[6,6]-3:C[6]-3:Cl-1:	C[6]-3:H-1:O-1:	C[6](C[6]N[6,6]Cl)(C[6]C[6]HH)(CHO)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(Cl)	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[6,6]Cl)(C[6]C[6]HH)(CHO){2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(Cl){3|C<4>,5|H<1>}	C(C[6]C[6]2)(H)(O)	122.9780	0.000	1	122.9780	0.000	1	122.9780	0.000	1	121.6054	2.919	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a,6]H)(C[6]C[6]HH)(COO){1|C<4>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	123.1510	0.000	1	123.1510	0.000	1	123.1510	0.000	1	121.5283	8.553	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6,6a]Cl)(C[6]O[6]HH)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6,6a]Cl)(C[6]O[6]HH)(CHN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(NN)(H)	124.2155	0.586	2	124.2155	0.344	2	124.2155	0.344	2	121.5283	8.553	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]CH)(COO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]H)(C[6]O[6]CH)(COO){2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6]2)(OC)(O)	123.9060	0.000	1	123.9060	0.000	1	123.9060	0.000	1	121.5283	8.553	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:O-2:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]CO)(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CO)(CHO){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|O<2>,3|C<3>}	C(C[6]C[6]2)(OC)(H)	116.6195	0.927	2	116.6195	0.859	2	117.4117	2.312	3	121.5283	8.553	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:O-2:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(OH)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CHO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OH)(H)	118.9960	0.000	1	118.9960	0.000	1	117.4117	2.312	3	121.5283	8.553	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-4:C-3:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[5,6]H)(C[6]C[6]HH)(COO)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[5,6]H)(C[6]C[6]HH)(COO){2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2)(OC)(O)	122.1760	0.000	1	122.1760	0.000	1	122.1760	0.000	1	121.5283	8.553	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-4:C-3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[6,6]H)(C[6]C[6]CH)(COO)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[6,6]H)(C[6]C[6]CH)(COO){2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2)(OC)(O)	121.4710	0.775	2	121.4710	0.601	2	121.4710	0.601	2	121.5283	8.553	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-4:C-3:	N[6,6]-3:C[6]-3:O-1:	C[6]-3:O-2:H-1:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CHO)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C(C[6]C[6]2)(OC[6a])(H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CHO){2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O){3|C<4>,5|H<1>}	C(C[6]C[6]2)(OC[6a])(H)	123.9700	0.000	1	123.9700	0.000	1	123.9700	0.000	1	121.5283	8.553	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C-2:C-2:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CN)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2)(CN)2	120.4410	0.000	1	120.4410	0.000	1	120.4410	0.000	1	120.4410	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[5a,6]-3:C[6]-3:O-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O)	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	115.9848	0.328	5	115.9848	0.108	5	115.9848	0.108	5	118.4226	5.388	60	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCH){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){3|C<4>,5|H<1>}	C(C[6]C[6]2)(CHH)(H)	122.9730	0.000	1	122.9730	0.000	1	122.9730	0.000	1	118.4226	5.388	60	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]S[6]HH)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6,6a]H)(C[6]S[6]HH)(CCH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|S<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	120.9550	0.000	1	120.9550	0.000	1	120.9550	0.000	1	118.4226	5.388	60	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CN[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(N[5]C[5]2)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CN[5]O){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2)(N[5]C[5]2)(O)	121.3650	0.000	1	121.3650	0.000	1	121.3650	0.000	1	118.4226	5.388	60	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]O){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	122.3080	0.000	1	122.0790	0.105	2	121.8888	4.760	4	118.4226	5.388	60	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]O){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	121.8500	0.000	1	122.0790	0.105	2	121.8888	4.760	4	118.4226	5.388	60	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(CC[6a]O){1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	124.3470	0.000	1	124.3470	0.000	1	121.8888	4.760	4	118.4226	5.388	60	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CC[6a]O){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	119.0500	0.000	1	119.0500	0.000	1	121.8888	4.760	4	118.4226	5.388	60	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[5a]H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	116.8090	0.000	1	116.8090	0.000	1	116.7640	0.004	2	118.4226	5.388	60	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[5a]H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	116.7190	0.000	1	116.7190	0.000	1	116.7640	0.004	2	118.4226	5.388	60	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CCH){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(CCH)(H)	120.7195	0.356	2	120.7195	0.127	2	120.7195	0.127	2	118.4226	5.388	60	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(CHN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2)(NCH)(H)	121.8740	0.000	1	121.8740	0.000	1	119.9259	14.001	8	118.4226	5.388	60	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CHN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(NCH)(H)	122.9713	0.534	3	122.9713	0.285	3	119.9259	14.001	8	118.4226	5.388	60	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|C<3>,2|H<1>,2|O<2>}	C(C[6]C[6]2)(NC[6a]H)(H)	122.2780	0.000	1	122.2780	0.000	1	119.9259	14.001	8	118.4226	5.388	60	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]S[6]HH)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(NCC)(H)	C[6](C[6]C[6,6a]O)(C[6]S[6]HH)(CHN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|S<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(NCC)(H)	115.4470	0.231	3	115.4470	0.053	3	119.9259	14.001	8	118.4226	5.388	60	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	117.1666	0.986	5	117.0547	0.584	21	117.7281	1.142	36	118.4226	5.388	60	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	118.4290	0.000	1	117.0547	0.584	21	117.7281	1.142	36	118.4226	5.388	60	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	117.1230	0.000	1	117.0547	0.584	21	117.7281	1.142	36	118.4226	5.388	60	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	115.9860	0.000	1	117.0547	0.584	21	117.7281	1.142	36	118.4226	5.388	60	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	116.9829	0.620	13	117.0547	0.584	21	117.7281	1.142	36	118.4226	5.388	60	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	118.7242	0.651	13	118.7242	0.424	13	117.7281	1.142	36	118.4226	5.388	60	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(O){1|O<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	118.3235	0.269	2	118.3235	0.073	2	117.7281	1.142	36	118.4226	5.388	60	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-4:C-3:	N[5,6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:O-2:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(OC)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]O){2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(O){3|C<4>,5|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(OC)	121.8370	0.000	1	121.8370	0.000	1	121.8370	0.000	1	121.8370	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:3:3:	C[6]-3:P[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6a]-3:N-3:	C[6](C[6]C[6,6a]O)(P[6]O[6]OO)(CC[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]P[6]C)(O)	C(C[6]C[6]P[6])(C[6a]C[6a]2)(NCH)	C[6](C[6]C[6,6a]O)(P[6]O[6]OO)(CC[6a]N){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]P[6]C)(O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C(C[6]C[6]P[6])(C[6a]C[6a]2)(NCH)	120.9600	0.000	1	120.9600	0.000	1	120.9600	0.000	1	120.9600	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]HO)(CCO){2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C(C[6]C[6]2)(CH3)(O)	122.7540	0.000	1	122.7540	0.000	1	122.0357	3.201	6	122.0357	3.201	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CCO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[6]C[6]2)(CH3)(O)	121.2753	0.465	3	121.2753	0.216	3	122.0357	3.201	6	122.0357	3.201	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CCO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CCO){2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H){1|C<4>,2|C<3>,3|O<2>}	C(C[6]C[6]2)(CH3)(O)	120.3570	0.000	1	120.3570	0.000	1	122.0357	3.201	6	122.0357	3.201	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6,6a]H)(C[6]O[6]HH)(CCO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(CH3)(O)	125.2770	0.000	1	125.2770	0.000	1	122.0357	3.201	6	122.0357	3.201	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:4:3:	C[6]-3:P[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6,6a]O)(P[6]O[6]OO)(CCN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]P[6]C)(O)	C(C[6]C[6]P[6])(CH3)(NCH)	C[6](C[6]C[6,6a]O)(P[6]O[6]OO)(CCN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]P[6]C)(O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C(C[6]C[6]P[6])(CH3)(NCH)	121.6535	0.624	2	121.6535	0.390	2	121.5003	0.265	3	121.5003	0.265	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:1:	3:4:3:	C[6]-3:P[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6,6a]O)(P[6]O[6]OO)(CCN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]P[6]C)(O)	C(C[6]C[6]P[6])(CH3)(NHH)	C[6](C[6]C[6,6a]O)(P[6]O[6]OO)(CCN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]P[6]C)(O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C(C[6]C[6]P[6])(CH3)(NHH)	121.1940	0.000	1	121.1940	0.000	1	121.5003	0.265	3	121.5003	0.265	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:2:	3:1:1:	C[6]-3:C[6]-4:C-3:	N[6,6]-3:C[6]-3:O-2:	C[6]-3:H-1:O-1:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CHO)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(OC[6a])	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(CHO){2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(OC[6a]){3|C<4>,5|H<1>}	C(C[6]C[6]2)(H)(O)	121.2840	0.000	1	121.2840	0.000	1	121.2840	0.000	1	121.2840	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu)	C(C[6]C[6]2)(OCu)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu){2|C<3>,2|H<1>,2|O<2>}	C(C[6]C[6]2)(OCu)(H)	123.8350	0.000	1	123.8350	0.000	1	124.0627	0.078	3	122.1572	2.448	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:H-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ORu)	C(C[6]C[6]2)(ORu)(H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HO)(CHO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ORu){2|C<3>,2|H<1>,2|O<2>}	C(C[6]C[6]2)(ORu)(H)	124.1765	0.279	2	124.1765	0.078	2	124.0627	0.078	3	122.1572	2.448	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C(C[6]C[6]2)(OC)(O)	123.7080	0.000	1	122.2100	2.390	3	122.2100	2.390	3	122.1572	2.448	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	121.4610	1.189	2	122.2100	2.390	3	122.2100	2.390	3	122.1572	2.448	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:2:	3:2:1:	C[6]-3:C[6]-4:C-3:	N[5,6]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(COO)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]C)(OSi)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(COO){1|H<1>,1|N<3>,2|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]C)(OSi){1|O<1>,2|H<1>,3|C<4>}	C(C[6]C[6]2)(OC)(O)	121.1730	0.042	2	121.1730	0.002	2	121.1730	0.002	2	122.1572	2.448	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:2:	3:2:1:	C[6]-3:S[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(S[6]N[6]OO)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH)	C(C[6]C[6]S[6])(OC)(O)	C[6](C[6]C[6,6a]O)(S[6]N[6]OO)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C(C[6]C[6]S[6])(OC)(O)	121.3175	0.579	2	120.8550	0.809	3	120.8550	0.809	3	122.1572	2.448	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:2:	3:2:1:	C[6]-3:S[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(S[6]N[6]OO)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH)	C(C[6]C[6]S[6])(OC)(O)	C[6](C[6]C[6,6a]O)(S[6]N[6]OO)(COO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH){1|Cl<1>,1|N<3>,2|C<3>,2|O<1>}	C(C[6]C[6]S[6])(OC)(O)	119.9300	0.000	1	120.8550	0.809	3	120.8550	0.809	3	122.1572	2.448	11	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-3:C-2:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CNO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CC)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CNO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CC){3|H<1>,4|C<4>}	C(C[6]C[6]2)(NC[6a]H)(O)	120.9470	0.081	2	120.9470	0.006	2	120.9470	0.006	2	121.5350	0.513	19	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OC)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCH){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OC){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(CC[6]H)(H)	121.5440	0.000	1	121.5440	0.000	1	121.5440	0.000	1	121.5350	0.513	19	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:N-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OAl)	C(C[6]C[6]2)(NAlC)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHN){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OAl){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(NAlC)(H)	121.3970	0.519	3	121.3970	0.269	3	121.8584	0.294	10	121.5350	0.513	19	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:N-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OAl)	C(C[6]C[6]2)(NC[6]Al)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHN){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OAl){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(NC[6]Al)(H)	121.9105	0.247	2	121.9105	0.061	2	121.8584	0.294	10	121.5350	0.513	19	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:N-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OAl)	C(C[6]C[6]2)(NC[6a]Al)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHN){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OAl){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(NC[6a]Al)(H)	122.2845	0.407	4	122.2845	0.165	4	121.8584	0.294	10	121.5350	0.513	19	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:N-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ONi)	C(C[6]C[6]2)(NC[6a]Ni)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CHN){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ONi){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2)(NC[6a]Ni)(H)	121.4340	0.000	1	121.4340	0.000	1	121.8584	0.294	10	121.5350	0.513	19	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(CC[6a]O){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	121.8150	0.000	1	121.7670	0.005	2	121.7670	0.005	2	121.5350	0.513	19	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(CC[6a]O){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	121.7190	0.000	1	121.7670	0.005	2	121.7670	0.005	2	121.5350	0.513	19	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:2:	3:3:1:	C[6]-3:S[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(S[6]N[6]OO)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH)	C(C[6]C[6]S[6])(NCH)(O)	C[6](C[6]C[6,6a]O)(S[6]N[6]OO)(CNO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C(C[6]C[6]S[6])(NCH)(O)	120.0465	0.398	2	120.0465	0.158	2	120.9023	1.042	4	121.5350	0.513	19	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:2:	3:3:1:	C[6]-3:S[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(S[6]N[6]OO)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH)	C(C[6]C[6]S[6])(NC[6a]H)(O)	C[6](C[6]C[6,6a]O)(S[6]N[6]OO)(CNO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(OH){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C(C[6]C[6]S[6])(NC[6a]H)(O)	121.7580	0.195	2	121.7580	0.038	2	120.9023	1.042	4	121.5350	0.513	19	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:2:	3:3:4:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:N-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ONi)	C(C[6]C[6]2)(NC[6a]Ni)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCN){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ONi){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(NC[6a]Ni)(CH3)	121.2090	0.397	3	121.2090	0.158	3	121.2090	0.158	3	121.2090	0.158	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6]-3:H-1:O-1:	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]C)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CHO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]C){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C(C[6]C[6]2)(H)(O)	122.2945	0.207	2	122.2945	0.043	2	122.2945	0.043	2	122.6827	0.473	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:3:	3:1:1:	C[6]-3:C[6]-4:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6])(C[6]O[6]HN)(CHH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]HN)(CHH){2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C(C[6]C[6]2)(H)2	123.4590	0.000	1	123.4590	0.000	1	123.4590	0.000	1	122.6827	0.473	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]C)(C[6]O[6]CH)(COO)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5,6]C)(C[6]O[6]CH)(COO){1|C<3>,1|S<4>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[6]C[6]2)(OC)(O)	120.2290	0.000	1	120.2290	0.000	1	120.2290	0.000	1	122.5335	2.097	18	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[5a,6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a,6]C)(C[6]O[6]CH)(COO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(CC[6a]O)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a,6]C)(C[6]O[6]CH)(COO){1|C<3>,1|S<2>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(CC[6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	119.4170	0.000	1	119.4170	0.000	1	120.0765	0.870	2	122.5335	2.097	18	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[5a,6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a,6]C)(C[6]O[6]CH)(COO)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a,6]C)(C[6]O[6]CH)(COO){1|C<3>,1|S<2>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	120.7360	0.000	1	120.7360	0.000	1	120.0765	0.870	2	122.5335	2.097	18	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]HH)(COO)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]HH)(COO){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[6]2)(OC)(O)	120.9140	0.000	1	120.9140	0.000	1	120.9140	0.000	1	122.5335	2.097	18	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[5a]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]C[5a])(C[6]C[6a]C[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]C[5a])(C[6]C[6a]C[6]C)(COO){1|O<1>,1|S<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C){2|H<1>,7|C<3>}	C(C[6]C[6]2)(OC)(O)	123.4910	0.000	1	123.4910	0.000	1	123.4910	0.000	1	122.5335	2.097	18	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]N)(C[6]C[6]CH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]N)(C[6]C[6]CH)(COO){1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	123.2672	0.341	4	123.2672	0.116	4	123.2672	0.116	4	122.5335	2.097	18	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO){1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C){2|H<1>,8|C<3>}	C(C[6]C[6]2)(OC)(O)	121.4680	0.000	1	121.4680	0.000	1	122.8248	0.477	6	122.5335	2.097	18	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO){1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,7|C<3>}	C(C[6]C[6]2)(OC)(O)	123.0735	0.233	4	123.0735	0.054	4	122.8248	0.477	6	122.5335	2.097	18	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CC)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]O[6]CC)(COO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C(C[6]C[6]2)(OC)(O)	123.1870	0.000	1	123.1870	0.000	1	122.8248	0.477	6	122.5335	2.097	18	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(COO){1|S<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S){1|N<3>,3|C<3>,4|H<1>}	C(C[6]C[6]2)(OC)(O)	125.3890	0.000	1	125.3890	0.000	1	125.3890	0.000	1	122.5335	2.097	18	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-4:C-3:	N[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]N[5,6]C[6a])(C[6]C[4,6]HH)(COO)	C[6](N[5,6]C[4,5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[5,6]C[6a])(C[6]C[4,6]HH)(COO){3|C<3>,3|C<4>}	C[6](N[5,6]C[4,5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C(C[6]C[6]2)(OC)(O)	123.0580	0.000	1	123.0580	0.000	1	123.0580	0.000	1	122.5335	2.097	18	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-4:C-3:	N[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:O-2:Se-1:	C[6](C[6]N[5,6]C[6a])(C[6]C[4,6]HH)(CSeO)	C[6](N[5,6]C[4,5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(OC)(Se)	C[6](C[6]N[5,6]C[6a])(C[6]C[4,6]HH)(CSeO){3|C<3>,3|C<4>}	C[6](N[5,6]C[4,5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C(C[6]C[6]2)(OC)(Se)	122.3510	0.000	1	122.3510	0.000	1	122.3510	0.000	1	122.5335	2.097	18	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH){1|O<2>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	122.0820	0.000	1	122.0820	0.000	1	122.0820	0.000	1	122.7360	2.786	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:I-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)	C(C[6a]C[6a]2)(C[6]C[6]2)(I)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]I){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(I)	122.2870	0.000	1	122.2870	0.000	1	122.2870	0.000	1	122.7360	2.786	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CCH)	C[6](C[6]C[6]C)2(N[6]C[6]2)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CCH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]C)2(N[6]C[6]2){3|C<4>,8|H<1>}	C(C[6]C[6]2)(CC[5]H)(H)	121.9240	0.770	4	121.9240	0.593	4	121.9240	0.593	4	122.7360	2.786	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]O){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	126.0590	0.000	1	126.0590	0.000	1	126.0590	0.000	1	122.7360	2.786	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-4:C-3:	N[4,6]-3:C[6]-3:C-3:	C[6]-3:C-3:H-1:	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CCH)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO)	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]N[4,6]C)(C[6]S[6]HH)(CCH){1|C<3>,1|C<4>}	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(COO){1|C<4>,1|O<1>,1|S<2>,3|H<1>}	C(C[6]C[6]2)(CHH)(H)	121.5660	0.000	1	121.5660	0.000	1	121.5660	0.000	1	122.7360	2.786	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-4:C-3:	N[5,6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]N[5,6]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]N[5,6]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O){2|C<4>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	124.9340	0.000	1	124.9340	0.000	1	124.9340	0.000	1	122.7360	2.786	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CN[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)	C(C[6]C[6]2)(N[6]C[6]2)(CCH)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CN[6]C){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(N[6]C[6]2)(CCH)	123.5700	0.000	1	123.5700	0.000	1	123.5700	0.000	1	123.5700	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:3:	3:4:1:	C[6]-3:C[6]-4:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(CHHO)(H)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCH){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C(C[6]C[6]2)(CHHO)(H)	123.5825	0.547	2	123.5825	0.299	2	123.5825	0.299	2	123.5463	0.104	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:3:	3:4:1:	C[6]-3:C[6]-4:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C-4:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCO){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6]2)(CH3)(O)	123.5710	0.000	1	123.5710	0.000	1	123.5710	0.000	1	123.5463	0.104	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:3:	3:4:1:	C[6]-3:C[6]-4:C-3:	N[6,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C-4:O-1:	C[6](C[6]N[6,6]C[6a])(C[6]O[6]CC)(CCO)	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(CF3)(O)	C[6](C[6]N[6,6]C[6a])(C[6]O[6]CC)(CCO){1|C<4>,3|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C){1|C<2>,1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C(C[6]C[6]2)(CF3)(O)	123.4490	0.000	1	123.4490	0.000	1	123.4490	0.000	1	123.5463	0.104	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:4:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(COO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(COO){1|C<3>,1|N<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	121.3280	0.561	2	121.3280	0.315	2	121.3280	0.315	2	123.0525	3.210	8	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:4:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	122.4745	2.007	2	122.4745	4.030	2	122.4745	4.030	2	123.0525	3.210	8	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:4:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(COO){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	123.0045	0.653	2	123.0045	0.426	2	123.0045	0.426	2	123.0525	3.210	8	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:4:	3:2:1:	C[6]-3:S[6]-4:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]C)(S[6]N[6]OO)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3)	C(C[6]C[6]S[6])(OC)(O)	C[6](C[6]C[6,6a]C)(S[6]N[6]OO)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C(C[6]C[6]S[6])(OC)(O)	125.2850	0.000	1	125.4030	0.028	2	125.4030	0.028	2	123.0525	3.210	8	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:4:	3:2:1:	C[6]-3:S[6]-4:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]C)(S[6]N[6]OO)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3)	C(C[6]C[6]S[6])(OC)(O)	C[6](C[6]C[6,6a]C)(S[6]N[6]OO)(COO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C(C[6]C[6]S[6])(OC)(O)	125.5210	0.000	1	125.4030	0.028	2	125.4030	0.028	2	123.0525	3.210	8	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]CH)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6,6a]C)(C[6]N[6]CH)(CNO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(NCH)(O)	125.5260	0.923	2	125.5260	0.853	2	125.5260	0.853	2	125.5260	0.853	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:4:3:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(C[6]C[6]C){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	119.5118	0.585	5	119.5118	0.343	5	119.8125	0.817	6	119.8125	0.817	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:4:3:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]NN)(C[6]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|H<1>,1|S<4>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]NN)(C[6]C[6]C){1|C<4>,2|C<3>,6|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	121.3160	0.000	1	121.3160	0.000	1	119.8125	0.817	6	119.8125	0.817	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	3:4:3:	3:3:3:	C[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6]-3:N[6]-3:C-3:	C[6](C[6]C[6,6a]C[6])(C[6]S[6]HH)(CN[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]C)	C(C[6]C[6]2)(N[6]C[6]2)(CCH)	C[6](C[6]C[6,6a]C[6])(C[6]S[6]HH)(CN[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]C){1|O<1>,2|S<2>,3|C<3>,5|H<1>}	C(C[6]C[6]2)(N[6]C[6]2)(CCH)	124.0680	0.000	1	124.0680	0.000	1	124.0680	0.000	1	124.0680	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:1:	3:1:1:	C[6]-3:C[6]-4:C-3:	C[5,6,6]-4:C[6]-3:O-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CHH)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]C)(O)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CHH){2|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]C)(O){2|O<2>,4|C<4>,5|H<1>}	C(C[6]C[6]2)(H)2	118.6740	0.000	1	118.6740	0.000	1	118.6740	0.000	1	118.4155	0.134	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:1:	3:1:1:	C[6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CHO){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6]2)(H)(O)	118.1570	0.000	1	118.1570	0.000	1	118.1570	0.000	1	118.4155	0.134	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:1:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[3,6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[3,6]H)(C[6]C[6]HO)(COO)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[3,6]H)(C[6]C[6]HO)(COO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	118.5080	0.000	1	118.5080	0.000	1	118.5080	0.000	1	120.4547	1.357	10	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:1:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[4,6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(COO)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	121.4850	0.000	1	121.4850	0.000	1	121.4850	0.000	1	120.4547	1.357	10	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:1:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(COO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){1|N<3>,2|C<4>,5|H<1>}	C(C[6]C[6]2)(OC)(O)	121.6570	0.000	1	121.6570	0.000	1	121.1740	0.206	3	120.4547	1.357	10	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:1:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(COO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(COO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2)(OC)(O)	120.9325	0.250	2	120.9325	0.062	2	121.1740	0.206	3	120.4547	1.357	10	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:1:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(COO){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2)(OH)(O)	120.2064	1.128	5	120.2064	1.272	5	120.2064	1.272	5	120.4547	1.357	10	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[5,5,6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H){4|C<4>}	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(C[6]C[6]C)(O){2|C<3>,2|C<4>,2|N<3>,5|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	116.3497	0.590	15	116.3497	0.348	15	116.3497	0.348	15	116.5622	1.103	56	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	117.4680	0.000	1	117.4680	0.000	1	116.4646	0.505	38	116.5622	1.103	56	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	116.6432	0.570	4	116.6432	0.325	4	116.4646	0.505	38	116.5622	1.103	56	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H){4|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	115.7860	0.000	1	115.7860	0.000	1	116.4646	0.505	38	116.5622	1.103	56	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H){4|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	116.4486	0.726	31	116.4486	0.527	31	116.4646	0.505	38	116.5622	1.103	56	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H){4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O){1|O<2>,2|C<3>,2|N<3>,6|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	115.9180	0.000	1	115.9180	0.000	1	116.4646	0.505	38	116.5622	1.103	56	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C(C[6]C[6]2)(COO)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){4|C<4>,4|H<1>}	C(C[6]C[6]2)(COO)(H)	122.5340	0.000	1	122.5340	0.000	1	122.5340	0.000	1	116.5622	1.103	56	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(O){1|C<3>,2|C<4>,6|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	117.0620	0.000	1	117.0260	0.003	2	117.0260	0.003	2	116.5622	1.103	56	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(O){2|C<3>,2|C<4>,5|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	116.9900	0.000	1	117.0260	0.003	2	117.0260	0.003	2	116.5622	1.103	56	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:1:	3:4:1:	C[6]-3:C[6]-4:C-3:	C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]HH)(CCO)	C[6](C[5,6,6]C[5a,6]C[5,6]N[5,6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]HH)(CCO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6,6]C[5a,6]C[5,6]N[5,6])(C[6]C[6]C)(H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2)(CH3)(O)	121.6400	0.000	1	121.6400	0.000	1	121.6400	0.000	1	121.7390	0.020	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:1:	3:4:1:	C[6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6]2)(CH3)(O)	121.8380	0.000	1	121.8380	0.000	1	121.8380	0.000	1	121.7390	0.020	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:2:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(OC[6])(O)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(COO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(OC[6])(O)	118.2175	0.357	2	118.2175	0.128	2	118.2175	0.128	2	118.2175	0.128	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:2:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-3:O-2:	C[6]-3:N-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CHN)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]C)(OCu)	C(C[6]C[6]2)(NCuC)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CHN){1|Fe<10>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]C)(OCu){3|C<4>,3|H<1>}	C(C[6]C[6]2)(NCuC)(H)	123.6620	0.000	1	123.6620	0.000	1	123.6620	0.000	1	123.6620	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:3:	3:1:1:	C[6]-3:C[6]-4:C-3:	C[3]-4:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(CHH)	C[6](C[3]C[3,5]C[3]H)(C[6]C[6]C)(C[6]C[6]S)	C(C[6]C[6]2)(H)2	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(CHH){1|H<1>,1|S<4>,5|C<4>}	C[6](C[3]C[3,5]C[3]H)(C[6]C[6]C)(C[6]C[6]S){3|C<4>,6|H<1>}	C(C[6]C[6]2)(H)2	121.5050	0.000	1	121.5050	0.000	1	121.5050	0.000	1	122.5960	2.381	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:3:	3:1:1:	C[6]-3:C[6]-4:C-3:	C[5,6,6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(CHH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CC[5a]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CC[5a]H){1|O<2>,5|C<4>,5|H<1>}	C(C[6]C[6]2)(H)2	123.6870	0.000	1	123.6870	0.000	1	123.6870	0.000	1	122.5960	2.381	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:3:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(COO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(COO){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	123.9200	0.000	1	123.9200	0.000	1	123.9200	0.000	1	120.4425	5.560	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:3:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2)(OC)(O)	119.7520	0.000	1	119.2833	0.278	3	119.2833	0.278	3	120.4425	5.560	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:3:	3:2:1:	C[6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]2)(OC)(O)	119.0490	0.477	2	119.2833	0.278	3	119.2833	0.278	3	120.4425	5.560	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:3:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[5,6,6]-4:C[6]-3:C-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[5,6,6]C)(C[6]C[5,6]HO)(CCH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]C)(CCO)	C(C[6]C[6]2)(CCC)(H)	C[6](C[6]C[5,6,6]C)(C[6]C[5,6]HO)(CCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]C)(CCO){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6]2)(CCC)(H)	125.7230	0.000	1	125.7230	0.000	1	125.7230	0.000	1	122.7975	17.117	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:3:	3:3:1:	C[6]-3:C[6]-4:C-3:	C[6,6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CC[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHH)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CC[6a]H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHH){1|C<3>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	119.8720	0.000	1	119.8720	0.000	1	119.8720	0.000	1	122.7975	17.117	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	4:3:3:	3:4:1:	C[6]-3:C[6]-4:C-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C-4:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(CCO)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(CCO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6]2)(CH3)(O)	124.6790	0.000	1	124.6790	0.000	1	124.6790	0.000	1	124.6790	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	3:4:3:	6:3:3:	3:3:1:	C[6]-3:C[6]-4:C-3:	B[5x3,5x5,20x6]-6:C[6]-3:C[6]-3:	C[6]-3:N-3:O-1:	C[6](C[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]IrH)(CNO)	C[6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]2)(NIr2)(O)	C[6](C[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]IrH)(CNO){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	C[6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]C)(C[6]C[6]H){1|Ir<8>,1|C<3>,1|C<6>,4|B<6>,7|H<1>}	C(C[6]C[6]2)(NIr2)(O)	125.8750	0.000	1	125.8750	0.000	1	125.8750	0.000	1	125.8750	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(CHH)	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(CHH){1|O<2>,2|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)2	117.4030	0.000	1	117.6510	0.467	3	117.5425	0.299	6	117.5425	0.299	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(CHH)	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(CHH){3|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)2	117.7750	0.918	2	117.6510	0.467	3	117.5425	0.299	6	117.5425	0.299	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CHH)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CHH){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)2	117.1775	0.309	2	117.1775	0.095	2	117.5425	0.299	6	117.5425	0.299	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CHH)	C[6](O[6]C[5,6])(C[6]C[6]C)(O)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]O)(CHH){1|C<4>,2|H<1>}	C[6](O[6]C[5,6])(C[6]C[6]C)(O){1|H<1>,4|C<4>}	C(C[6]C[6]2)(H)2	117.9470	0.000	1	117.9470	0.000	1	117.5425	0.299	6	117.5425	0.299	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(COO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(COO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	116.7740	0.000	1	116.7740	0.000	1	116.7740	0.000	1	116.7740	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(CC[6a]O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(CC[6a]O){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	120.3120	0.000	1	120.3120	0.000	1	121.0835	1.190	2	119.4563	8.538	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(CC[6a]O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(CC[6a]O){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	121.8550	0.000	1	121.8550	0.000	1	121.0835	1.190	2	119.4563	8.538	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[6a]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[6a]H){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	116.2020	0.000	1	116.2020	0.000	1	116.2020	0.000	1	119.4563	8.538	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:1:	3:3:2:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6]-3:C-3:O-2:	C[6](C[6]C[5,6,6]CH)(C[6]O[6]O)(CCO)	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	C(C[6]C[6]2)(CCC)(OH)	C[6](C[6]C[5,6,6]CH)(C[6]O[6]O)(CCO){3|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){2|H<1>,3|C<4>}	C(C[6]C[6]2)(CCC)(OH)	117.5125	0.326	2	117.5125	0.106	2	117.5125	0.106	2	117.5125	0.106	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]HO)(C[6]O[6]O)(CC[6a]C)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6](C[6]C[6,6a]HO)(C[6]O[6]O)(CC[6a]C){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	122.1470	0.000	1	122.1470	0.000	1	122.1470	0.000	1	122.1470	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(CCO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(CH3)(O)	120.7160	0.000	1	120.7160	0.000	1	120.7160	0.000	1	120.7160	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(COO)	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]N)(COO){1|S<2>,3|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	118.0940	0.175	4	118.0940	0.030	4	118.5063	0.375	36	118.5063	0.375	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]CH)(C[6]O[6]N)(COO)	C[6](O[6]C[6,6])(C[6]C[6]C)(NCH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6]CH)(C[6]O[6]N)(COO){2|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	119.0030	0.024	2	119.0030	0.001	2	118.5063	0.375	36	118.5063	0.375	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO)	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	118.2107	0.487	3	118.1015	0.206	4	118.5063	0.375	36	118.5063	0.375	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO)	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	117.7740	0.000	1	118.1015	0.206	4	118.5063	0.375	36	118.5063	0.375	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NCH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NCH){1|H<1>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	119.0570	0.000	1	119.0570	0.000	1	118.5063	0.375	36	118.5063	0.375	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6]H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6]H){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	119.2660	0.000	1	119.2660	0.000	1	118.5063	0.375	36	118.5063	0.375	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]CH)(C[6]O[6]N)(COO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	117.2460	0.000	1	117.2460	0.000	1	118.5063	0.375	36	118.5063	0.375	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(COO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]N)(COO){1|S<2>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	117.7515	0.136	2	117.7515	0.019	2	118.5063	0.375	36	118.5063	0.375	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]N)(COO){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	118.6840	0.561	21	118.6840	0.315	21	118.5063	0.375	36	118.5063	0.375	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:N-3:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CC[6a]O)	C[6](O[6]C[6,6])(C[6]C[6]C)(NC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CC[6a]O){4|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	118.7657	0.231	3	118.7657	0.053	3	118.7657	0.053	3	118.7657	0.053	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:3:	3:4:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:C-3:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]CC)(C[6]O[6]C)(CCO)	C[6](O[6]C[6,6])(C[6]C[6]C)(CCH)	C(C[6]C[6]2)(CCHH)(O)	C[6](C[6]C[6]CC)(C[6]O[6]C)(CCO){1|C<4>,2|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]C)(CCH){1|O<2>,4|C<4>}	C(C[6]C[6]2)(CCHH)(O)	120.7785	0.630	2	120.7785	0.397	2	120.7785	0.397	2	120.7785	0.397	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-2:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]N[5,6]C[5a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[5,6]C[5a]H)(C[6]N[6]C)(COO){1|S<2>,3|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C(C[6]C[6]2)(OC)(O)	123.5580	0.000	1	123.5580	0.000	1	123.4837	2.867	25	122.4650	5.108	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-2:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C(C[6]C[6]2)(OC)(O)	124.3714	2.688	5	124.3714	7.224	5	123.4837	2.867	25	122.4650	5.108	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-2:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){4|C<3>}	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C(C[6]C[6]2)(OC)(O)	123.2462	1.392	19	123.2462	1.939	19	123.4837	2.867	25	122.4650	5.108	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(COO)	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(COO){4|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	118.7225	0.171	4	118.7225	0.029	4	120.8734	4.602	16	122.4650	5.108	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]CH)(C[6]O[6]C)(COO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	119.7018	0.497	5	119.7018	0.247	5	120.8734	4.602	16	122.4650	5.108	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(COO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(COO){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	123.4122	0.815	6	123.4122	0.665	6	120.8734	4.602	16	122.4650	5.108	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]HN)(C[6]O[6]C)(COO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]HN)(C[6]O[6]C)(COO){2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	120.1030	0.000	1	120.1030	0.000	1	120.8734	4.602	16	122.4650	5.108	41	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-2:C[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(CNO)	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(CNO){4|C<3>}	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C(C[6]C[6]2)(NCH)(O)	124.5915	0.453	2	124.5915	0.205	2	124.5915	0.205	2	123.7270	1.103	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CNO)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CNO){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]2)(NC[6a]H)(O)	122.6250	0.000	1	122.6250	0.000	1	122.6250	0.000	1	123.7270	1.103	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	2:3:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	O[6]-2:C[6]-3:C-4:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CC[6a]O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CC[6a]O){4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	123.1000	0.000	1	123.1000	0.000	1	123.1000	0.000	1	123.7270	1.103	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:1:	3:1:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CHH)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(O)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(CHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C)(O[6]C[6,6])(O){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(H)2	114.6595	0.954	2	114.6595	0.910	2	116.0588	3.048	4	118.1141	9.308	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:1:	3:1:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CHH)	C[6](C[6]C[6,6]C)(O[6]C[6])(O)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(CHH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]C)(O[6]C[6])(O){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(H)2	117.9070	0.000	1	117.9070	0.000	1	116.0588	3.048	4	118.1141	9.308	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:1:	3:1:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]O[6]C)(C[6]O[6]O)(CHH)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(O)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]O[6]C)(C[6]O[6]O)(CHH){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C)(O[6]C[6,6])(O){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6])(H)2	117.0090	0.000	1	117.0090	0.000	1	116.0588	3.048	4	118.1141	9.308	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]RhH)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]RhH)(C[6]C[6]H)(CHH){1|C<2>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Rh<5>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(H)2	119.9290	0.000	1	119.9290	0.000	1	119.9290	0.000	1	118.1141	9.308	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]HO)(C[6]O[6]H)(CHO)	C[6](C[6]C[6]C)(O[6]C[6])(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]HO)(C[6]O[6]H)(CHO){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)(O)	118.1625	0.166	2	118.1625	0.028	2	118.1625	0.028	2	118.1141	9.308	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(H)	C(C[6]C[6]2)(O)2	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(O)2	116.5195	0.958	2	116.5195	0.918	2	116.5195	0.918	2	118.1141	9.308	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:Br-1:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CBrH)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(Br)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CBrH){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(Br)(H)	123.7595	0.251	2	123.7595	0.063	2	123.7595	0.063	2	118.1141	9.308	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CHH)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]CH)(C[6]O[6]O)(CHH){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)2	116.3220	0.000	1	116.3220	0.000	1	116.3220	0.000	1	118.1141	9.308	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]H)(COO)	C[6](C[6]C[5,6]C)(O[6]C[6])(H)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]H)(COO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(OC)(O)	116.4930	0.556	2	116.4930	0.309	2	117.5037	3.219	3	120.1175	3.836	14	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]H)(COO)	C[6](C[6]C[5,6]C)(O[6]C[6])(H)	C(C[6]C[5,6]C[6])(OH)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]H)(COO){3|C<4>,3|H<1>}	C[6](C[6]C[5,6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(OH)(O)	119.5250	0.000	1	119.5250	0.000	1	117.5037	3.219	3	120.1175	3.836	14	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:1:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(COO)	C[6](C[6]C[6,6]C)(O[6]C[6])(H)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(COO){3|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6])(OC)(O)	122.5655	0.790	2	121.5110	0.938	6	121.3509	0.962	7	120.1175	3.836	14	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:1:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(COO)	C[6](C[6]C[6,6]C)(O[6]C[6])(H)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(COO){3|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(O[6]C[6])(H){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(OC)(O)	120.9838	0.494	4	121.5110	0.938	6	121.3509	0.962	7	120.1175	3.836	14	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:1:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(COO)	C[6](C[6]C[6,6]C)(O[6]C[6])(H)	C(C[6]C[6,6]C[6])(OH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(COO){3|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(O[6]C[6])(H){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(OH)(O)	120.3900	0.000	1	120.3900	0.000	1	121.3509	0.962	7	120.1175	3.836	14	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]HH)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6])(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[6]HH)(C[6]N[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	119.6240	0.000	1	119.6240	0.000	1	119.6240	0.000	1	120.1175	3.836	14	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	120.8140	0.000	1	121.0300	0.093	2	120.0180	3.119	3	120.1175	3.836	14	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]CH)(C[6]O[6]H)(COO){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	121.2460	0.000	1	121.0300	0.093	2	120.0180	3.119	3	120.1175	3.836	14	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HN)(C[6]O[6]H)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]HN)(C[6]O[6]H)(COO){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	117.9940	0.000	1	117.9940	0.000	1	120.0180	3.119	3	120.1175	3.836	14	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:1:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:H-1:	C[6]-3:N-3:O-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]O[6]H)(CNO)	C[6](C[6]C[5,6]C)(O[6]C[5,6])(H)	C(C[6]C[5,6]C[6])(NCO)(O)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]O[6]H)(CNO){3|C<4>,3|H<1>}	C[6](C[6]C[5,6]C)(O[6]C[5,6])(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(NCO)(O)	120.3230	0.000	1	120.3230	0.000	1	120.3230	0.000	1	119.4640	9.288	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6]C)(N[6]C[6])(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>,1|S<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	121.9900	0.000	1	121.9900	0.000	1	121.9900	0.000	1	119.4640	9.288	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[5a]H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(CC[5a]H){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<4>,4|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)	116.0790	0.000	1	116.0790	0.000	1	116.0790	0.000	1	119.4640	9.288	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:1:	3:4:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:H-1:	C[6]-3:C-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(CCO)	C[6](C[6]C[6,6]C)(O[6]C[6])(H)	C(C[6]C[6,6]C[6])(CH3)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(CCO){3|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(O[6]C[6])(H){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(CH3)(O)	120.6770	0.000	1	120.6770	0.000	1	120.6770	0.000	1	120.6770	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-2:N-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO)	C[6](C[6]C[6]C)(C[6]C[6])(NC[6a])	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO){1|C<4>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6])(NC[6a]){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	120.4770	0.000	1	120.4770	0.000	1	120.4770	0.000	1	120.4770	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:2:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:S[6]-2:S-2:	C[5a]-3:C[6]-3:O-1:	C[6](C[6]C[5a]C[6]H)(C[6]S[6]S)(CC[5a]O)	C[6](C[6]C[6]C)(S[6]C[6])(SC)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(O)	C[6](C[6]C[5a]C[6]H)(C[6]S[6]S)(CC[5a]O){1|C<2>,1|S<2>,2|C<3>}	C[6](C[6]C[6]C)(S[6]C[6])(SC){1|H<1>,1|N<3>,2|C<3>}	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(O)	122.4380	0.000	1	122.4380	0.000	1	122.4380	0.000	1	121.9610	0.301	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:2:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:S[6]-2:S-2:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]O)	C[6](C[6]C[6]C)(S[6]C[6])(SC)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]O){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(S[6]C[6])(SC){2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	121.3620	0.000	1	121.3620	0.000	1	121.7225	0.260	2	121.9610	0.301	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:2:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:S[6]-2:S-2:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]N[6]HH)(C[6]S[6]S)(CC[6a]O)	C[6](C[6]C[6]C)(S[6]C[6])(SC)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]N[6]HH)(C[6]S[6]S)(CC[6a]O){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(S[6]C[6])(SC){1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	122.0830	0.000	1	122.0830	0.000	1	121.7225	0.260	2	121.9610	0.301	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:2:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:O-2:	C[6]-3:P-3:C-3:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCP)	C[6](C[6]C[6]C)(O[6]B[6])(OC)	C(C[6]C[6]2)(PC[6a]2)(COO)	C[6](C[6]C[6]CH)(C[6]O[6]O)(CCP){1|B<4>,2|H<1>}	C[6](C[6]C[6]C)(O[6]B[6])(OC){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(PC[6a]2)(COO)	119.1770	0.000	1	119.1770	0.000	1	119.1770	0.000	1	119.1770	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:3:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:O[6]-2:C[6]-3:	C[6]-3:H-1:O-1:	C[6](C[6]C[6,6a]CO)(C[6]C[6a]O[6])(CHO)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6a]CO)(C[6]C[6a]O[6])(CHO){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C){1|O<2>,2|H<1>,5|C<3>}	C(C[6]C[6]2)(H)(O)	120.8650	0.000	1	120.8650	0.000	1	120.8650	0.000	1	120.8650	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:N-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(COO)	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(COO){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6])(NHH){1|C<4>,3|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	117.5910	0.000	1	117.5910	0.000	1	118.0363	0.623	3	120.8888	10.116	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:N-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(COO)	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(COO){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6,6])(NHH){1|C<4>,3|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	117.5700	0.000	1	117.5700	0.000	1	118.0363	0.623	3	120.8888	10.116	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:N-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(COO)	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(COO){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6,6a])(NHH){4|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	118.9480	0.000	1	118.9480	0.000	1	118.0363	0.623	3	120.8888	10.116	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:3:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-3:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6,6]C)(O[6]C[6,6a])(COO)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6]O[6]C)(COO){4|C<3>}	C[6](C[6]C[6,6]C)(O[6]C[6,6a])(COO){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6,6]C[6])(OC)(O)	122.1370	0.000	1	122.1370	0.000	1	122.1370	0.000	1	120.8888	10.116	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6])(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6])(COO){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	124.7857	2.961	3	124.7857	8.766	3	124.7857	8.766	3	120.8888	10.116	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HO)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CNO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]HO)(C[6]O[6]C)(COO){1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(CNO){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	122.8770	0.000	1	122.8770	0.000	1	122.8770	0.000	1	120.8888	10.116	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]O[6]N)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(NCH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]CH)(C[6]O[6]N)(COO){2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	119.5890	0.000	1	119.6445	0.006	2	119.6445	0.006	2	120.8888	10.116	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]O[6]N)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(NCH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]CH)(C[6]O[6]N)(COO){2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(NCH){1|H<1>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	119.7000	0.000	1	119.6445	0.006	2	119.6445	0.006	2	120.8888	10.116	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:S[6]-2:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HN)(C[6]S[6]C)(COO)	C[6](C[6]C[6]C)(S[6]C[6])(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]HN)(C[6]S[6]C)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(S[6]C[6])(COO){1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	117.1610	0.000	1	117.1610	0.000	1	117.1610	0.000	1	120.8888	10.116	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:N[6]-2:C[6]-3:	C[6]-3:S-2:S-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CSS)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]C)	C(C[6]C[6]2)(SC)(S)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CSS){6|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]C){1|N<3>,3|H<1>,4|C<3>}	C(C[6]C[6]2)(SC)(S)	120.7360	0.000	1	120.7360	0.000	1	120.7360	0.000	1	120.8888	10.116	12	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-2:C-3:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CC[6a]O)	C[6](C[6]C[6]C)(N[6]N[6])(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CC[6a]O){1|C<4>,1|N<2>,2|C<3>}	C[6](C[6]C[6]C)(N[6]N[6])(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	125.1110	0.000	1	125.1110	0.000	1	125.1110	0.000	1	125.1110	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO){4|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(H)(O)	120.4040	0.000	1	120.4040	0.000	1	120.4040	0.000	1	120.4040	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(COO)	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(COO){1|C<2>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3){1|N<3>,3|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	119.6945	0.622	2	119.6945	0.386	2	119.6945	0.386	2	122.2728	5.871	28	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]C)(COO){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3){1|H<1>,1|N<2>,2|C<4>}	C(C[6]C[6,6]C[6])(OC)(O)	121.5400	0.000	1	121.5400	0.000	1	123.0185	4.372	2	122.2728	5.871	28	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C)(COO){1|C<4>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6])(OC)(O)	124.4970	0.000	1	124.4970	0.000	1	123.0185	4.372	2	122.2728	5.871	28	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6])(CF3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6])(CF3){1|C<3>,1|H<1>,2|N<3>}	C(C[6]C[6]2)(OC)(O)	128.2400	0.000	1	128.2400	0.000	1	124.8305	23.249	2	122.2728	5.871	28	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]S[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6])(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]S[6]H)(C[6]N[6]C)(COO){3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C(C[6]C[6]2)(OC)(O)	121.4210	0.000	1	121.4210	0.000	1	124.8305	23.249	2	122.2728	5.871	28	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	123.7580	0.523	2	122.3297	6.257	3	122.2069	4.901	22	122.2728	5.871	28	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]CH)(C[6]O[6]C)(COO){2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	119.4730	0.000	1	122.3297	6.257	3	122.2069	4.901	22	122.2728	5.871	28	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]HH)(C[6]O[6]C)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	120.5460	0.044	2	120.5460	0.002	2	122.2069	4.901	22	122.2728	5.871	28	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]C)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]C)(C[6]O[6]C)(COO){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<2>,1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2)(OC)(O)	120.4770	0.000	1	120.4770	0.000	1	122.2069	4.901	22	122.2728	5.871	28	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	125.1240	0.000	1	125.1240	0.000	1	122.2069	4.901	22	122.2728	5.871	28	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CClHH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CClHH){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	125.7890	0.000	1	125.7890	0.000	1	122.2069	4.901	22	122.2728	5.871	28	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	119.4300	0.000	1	122.0772	4.637	14	122.2069	4.901	22	122.2728	5.871	28	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	123.6549	1.247	8	122.0772	4.637	14	122.2069	4.901	22	122.2728	5.871	28	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<2>,3|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	118.9950	0.000	1	122.0772	4.637	14	122.2069	4.901	22	122.2728	5.871	28	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|C<4>,3|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	120.8680	0.198	2	122.0772	4.637	14	122.2069	4.901	22	122.2728	5.871	28	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	119.8080	0.000	1	122.0772	4.637	14	122.2069	4.901	22	122.2728	5.871	28	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(COO){4|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	119.8730	0.000	1	122.0772	4.637	14	122.2069	4.901	22	122.2728	5.871	28	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C[6a]-3:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CC[6a]O)	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CC[6a]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	122.4960	0.000	1	122.4960	0.000	1	122.4960	0.000	1	122.2834	2.444	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO)	C[6](C[6]C[6]C)(N[6]C[6])(CH3)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO){1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]2)(NCC)(O)	122.3870	0.000	1	122.3870	0.000	1	122.3870	0.000	1	122.2834	2.444	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCH)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCH){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(CCH)(H)	122.2760	0.000	1	122.2760	0.000	1	122.2760	0.000	1	122.2834	2.444	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CC[6a]O)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CC[6a]O){1|C<2>,3|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	124.3280	0.000	1	124.3280	0.000	1	124.3280	0.000	1	122.2834	2.444	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:3:1:	S[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:N-3:O-1:	C[6](S[6]C[6]OO)(C[6]O[6]C)(CNO)	C[6](C[6]S[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]S[6])(NC[6a]H)(O)	C[6](S[6]C[6]OO)(C[6]O[6]C)(CNO){1|C<4>,2|H<1>}	C[6](C[6]S[6]C)(O[6]C[6])(CH3){1|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6]S[6])(NC[6a]H)(O)	119.9300	0.000	1	119.9300	0.000	1	119.9300	0.000	1	122.2834	2.444	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:3:3:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]C)(CC[6a]2)	C[6](C[6]C[6,6]C)(N[6]O[6])(CCHH)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]C)(CC[6a]2){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]C)(N[6]O[6])(CCHH){1|H<1>,2|C<4>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)2	125.7930	0.000	1	125.7930	0.000	1	125.7930	0.000	1	125.7930	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:4:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO)	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3)	C(C[6]C[5,6]C[6])(CH3)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO){1|C<2>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3){1|N<3>,3|C<3>}	C(C[6]C[5,6]C[6])(CH3)(O)	123.9927	1.070	3	123.1753	3.437	4	123.1753	3.437	4	123.0343	9.973	15	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:4:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO)	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3)	C(C[6]C[5,6]C[6])(CH3)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3){1|N<3>,3|C<3>}	C(C[6]C[5,6]C[6])(CH3)(O)	120.7230	0.000	1	123.1753	3.437	4	123.1753	3.437	4	123.0343	9.973	15	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:4:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C)(CCO)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3)	C(C[6]C[6,6]C[6])(CH3)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C)(CCO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6])(CH3)(O)	124.8620	0.000	1	124.8620	0.000	1	125.5770	1.022	2	123.0343	9.973	15	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:4:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(CCO)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3)	C(C[6]C[6,6]C[6])(CH3)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6,6]C[6])(CH3)(O)	126.2920	0.000	1	126.2920	0.000	1	125.5770	1.022	2	123.0343	9.973	15	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	C[6](C[6]C[6]C)(N[6]C[6])(CH3)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){1|C<4>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C(C[6]C[6]2)(CH3)(O)	128.3075	0.511	2	128.3075	0.261	2	128.3075	0.261	2	123.0343	9.973	15	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]C[5]C[6]H)(C[6]O[6]C)(CCO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[5]C[6]H)(C[6]O[6]C)(CCO){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(CH3)(O)	121.1560	0.000	1	121.1560	0.000	1	120.7207	3.656	7	123.0343	9.973	15	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]CH)(C[6]O[6]C)(CCO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]CH)(C[6]O[6]C)(CCO){2|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)(O)	119.9740	0.000	1	119.9740	0.000	1	120.7207	3.656	7	123.0343	9.973	15	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]C)(CCO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]2)(CC[5]CH)(O)	C[6](C[6]C[6]HH)(C[6]O[6]C)(CCO){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CC[5]CH)(O)	120.1770	0.000	1	120.1770	0.000	1	120.7207	3.656	7	123.0343	9.973	15	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]HH)(C[6]O[6]C)(CCO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]HH)(C[6]O[6]C)(CCO){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|F<1>,2|H<1>}	C(C[6]C[6]2)(CH3)(O)	119.8140	0.000	1	119.8140	0.000	1	120.7207	3.656	7	123.0343	9.973	15	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:2:4:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCO)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CCO){1|C<2>,3|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(CH3)(O)	121.3080	3.085	3	121.3080	9.519	3	120.7207	3.656	7	123.0343	9.973	15	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:1:1:	C[5,6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]H)(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(H)	C(C[6]C[5,6]C[6])(H)(O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]H)(CHO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[5,6]C[6])(H)(O)	118.5940	0.707	2	118.5940	0.500	2	118.5940	0.500	2	119.1873	2.756	39	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:1:1:	C[5,6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[5,6]C[5,5]C[5]O[6])(C[6]C[6,6a]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(H)	C(C[6]C[5,6]C[6])(O)2	C[6](C[5,6]C[5,5]C[5]O[6])(C[6]C[6,6a]H)(COO){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6])(O)2	117.3840	0.000	1	117.3840	0.000	1	117.3840	0.000	1	119.1873	2.756	39	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:1:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CHH)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CHH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[5,6]C[6])(H)2	121.2135	0.190	2	121.2135	0.036	2	121.6383	0.560	3	119.1873	2.756	39	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:1:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CHH)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|C<4>,4|C<3>}	C(C[6]C[5,6]C[6])(H)2	122.4880	0.000	1	122.4880	0.000	1	121.6383	0.560	3	119.1873	2.756	39	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:1:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CHH)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CHH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6])(H)2	119.2580	0.000	1	119.2580	0.000	1	118.3156	0.376	5	119.1873	2.756	39	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:1:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CHH)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CHH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O){1|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(H)2	118.0800	0.363	4	118.0800	0.132	4	118.3156	0.376	5	119.1873	2.756	39	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:1:1:	C[6,6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:O-1:	C[6]-3:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]N[6]O)(CHH)	C[6](N[6]C[5,6,6]C)(C[6]C[6,6]C)(O)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]N[6]O)(CHH){1|H<1>,2|C<3>,3|C<4>}	C[6](N[6]C[5,6,6]C)(C[6]C[6,6]C)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6,6]C[6])(H)2	118.5298	0.317	8	118.5298	0.100	8	118.5298	0.100	8	119.1873	2.756	39	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2)(H)(O)	118.8430	0.000	1	118.6377	1.682	4	118.6377	1.682	4	119.1873	2.756	39	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)(O)	118.5693	1.580	3	118.6377	1.682	4	118.6377	1.682	4	119.1873	2.756	39	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]H)(CHO)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]H)(CHO){5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6]2)(H)(O)	117.2380	0.000	1	117.2380	0.000	1	117.3145	0.012	2	119.1873	2.756	39	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6,6a]H)(CHO)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6,6a]H)(CHO){1|N<2>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6]2)(H)(O)	117.3910	0.000	1	117.3910	0.000	1	117.3145	0.012	2	119.1873	2.756	39	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHH){1|C<4>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)2	121.4000	0.000	1	121.4000	0.000	1	122.5217	1.021	4	119.1873	2.756	39	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHH){1|C<2>,1|C<4>,4|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)2	121.9350	0.000	1	121.9350	0.000	1	122.5217	1.021	4	119.1873	2.756	39	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHH){1|S<4>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]2)(H)2	123.3760	0.020	2	123.3760	0.000	2	122.5217	1.021	4	119.1873	2.756	39	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Dy<16>,1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(H)(O)	119.7710	0.440	2	119.7710	0.193	2	119.5750	0.311	7	119.1873	2.756	39	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Gd<16>,1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(H)(O)	120.0185	0.455	2	120.0185	0.207	2	119.5750	0.311	7	119.1873	2.756	39	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHO){1|C<2>,1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)(O)	118.6250	0.000	1	118.6250	0.000	1	119.5750	0.311	7	119.1873	2.756	39	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHO){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]C)2(H){1|N<3>,4|H<1>}	C(C[6]C[6]2)(H)(O)	119.4105	0.192	2	119.4105	0.037	2	119.5750	0.311	7	119.1873	2.756	39	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]H)(CHO)	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]H)(CHO){1|H<1>,3|C<4>}	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]C)(H){1|N<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2)(H)(O)	117.5693	0.188	3	117.5693	0.035	3	117.5693	0.035	3	119.1873	2.756	39	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(COO){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	121.4750	0.000	1	121.4750	0.000	1	122.1730	0.847	3	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(COO){1|O<2>,2|O<1>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	122.5220	0.981	2	122.5220	0.963	2	122.1730	0.847	3	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	117.0610	0.000	1	117.0610	0.000	1	117.0610	0.000	1	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6,6a]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)(H)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6,6a]H)(COO){2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6])(OC)(O)	119.4500	0.000	1	119.4500	0.000	1	119.4500	0.000	1	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(H)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(COO){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(H){1|H<1>,4|C<4>}	C(C[6]C[6,6]C[6])(OC)(O)	117.5390	0.000	1	117.5390	0.000	1	120.2535	3.432	6	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	C(C[6]C[6,6]C[6])(OH)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(COO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6])(OH)(O)	119.6910	0.000	1	119.6910	0.000	1	120.2535	3.432	6	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(COO){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H){1|O<2>,3|C<4>}	C(C[6]C[6,6]C[6])(OC)(O)	121.0890	0.000	1	121.0890	0.000	1	120.2535	3.432	6	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(COO){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|O<2>}	C(C[6]C[6,6]C[6])(OC)(O)	118.9530	0.000	1	121.0673	3.394	3	120.2535	3.432	6	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(COO){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,2|O<2>}	C(C[6]C[6,6]C[6])(OC)(O)	122.1245	0.288	2	121.0673	3.394	3	120.2535	3.432	6	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(COO){2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	123.4920	0.000	1	123.4920	0.000	1	123.4920	0.000	1	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]Cl)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]Cl)(CHN){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(Cl){1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2)(NN)(H)	123.2060	0.000	1	123.2060	0.000	1	123.2060	0.000	1	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(NS)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]H)(CHN){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2)(NS)(H)	119.0520	0.000	1	119.0520	0.000	1	119.0520	0.000	1	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]H)(COO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,2|O<2>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	119.5540	0.000	1	119.5540	0.000	1	119.5540	0.000	1	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(CN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CN)(H)	121.7455	1.531	2	121.7455	2.344	2	122.4543	2.679	3	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CN)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2)(CN)(H)	123.8720	0.000	1	123.8720	0.000	1	122.4543	2.679	3	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:O-1:	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NC)(O)	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CNO){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Yb<14>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(NC)(O)	118.0060	0.000	1	118.0060	0.000	1	118.0060	0.000	1	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(OC)(H)	120.4260	0.000	1	120.4260	0.000	1	120.4260	0.000	1	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(COO){2|C<4>,3|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	120.5965	0.289	2	120.5965	0.084	2	120.9133	1.280	4	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[6]CH)(C[6]C[6]H)(COO){3|C<3>}	C[6](C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	119.9350	0.000	1	119.9350	0.000	1	120.9133	1.280	4	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]CO)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[6]CO)(C[6]C[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<4>,1|O<2>,2|N<3>}	C(C[6]C[6]2)(OC)(O)	122.5250	0.000	1	122.5250	0.000	1	120.9133	1.280	4	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:N-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(N)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(N){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	120.7240	0.000	1	120.7240	0.000	1	120.7240	0.000	1	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)(CC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CC)(H)	116.0850	0.861	3	116.0850	0.742	3	116.0850	0.742	3	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:O-2:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CHO)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C(C[6]C[6]2)(OC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CHO){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(H)	116.6430	0.000	1	116.6430	0.000	1	116.6430	0.000	1	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]CH)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	121.6305	0.425	2	121.6305	0.181	2	120.3793	3.163	7	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO){1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	C(C[6]C[6]2)(OC)(O)	120.9790	0.000	1	119.8788	3.603	5	120.3793	3.163	7	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(COO){5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	C(C[6]C[6]2)(OC)(O)	119.6037	2.074	4	119.8788	3.603	5	120.3793	3.163	7	120.2106	5.095	36	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:2:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:C-2:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(CN)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CN)2	121.0180	0.000	1	121.0490	0.316	27	121.0971	0.369	28	120.9849	0.434	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:2:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:C-2:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(CN)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC){1|C<3>,3|C<4>}	C[6](C[6]C[6]C)2(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CN)2	121.0502	0.574	26	121.0490	0.316	27	121.0971	0.369	28	120.9849	0.434	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:2:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:C-2:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CN)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){3|C<4>,4|H<1>}	C(C[6]C[6]2)(CN)2	122.3940	0.000	1	122.3940	0.000	1	121.0971	0.369	28	120.9849	0.434	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:2:2:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](C[6]C[6]TiO)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(OLi)(OC)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<12>,1|C<4>,1|H<1>,1|O<3>}	C(C[6]C[6]2)(OLi)(OC)	120.4612	0.687	6	120.4612	0.472	6	120.4612	0.472	6	120.9849	0.434	34	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[3,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CNO)	C[6](C[6]C[3,6]C)(C[6]C[6]H)(H)	C(C[6]C[3,6]C[6])(NCH)(O)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CNO){2|C<3>,3|H<1>}	C[6](C[6]C[3,6]C)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[3,6]C[6])(NCH)(O)	117.6710	0.000	1	117.6710	0.000	1	117.6710	0.000	1	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(CCH)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H)	C(C[6]C[5,6]C[6])(CCH)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(CCH){1|O<1>,4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(CCH)(H)	125.5500	0.000	1	125.5500	0.000	1	125.5500	0.000	1	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(CC[6a]O)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(CC[6a]O){1|N<3>,1|O<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(H){1|H<1>,5|C<3>}	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	119.5205	1.001	2	119.5205	1.001	2	119.5205	1.001	2	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6a]-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	122.5480	0.000	1	122.5480	0.000	1	122.5480	0.000	1	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]C)(H)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]C)(H){2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	122.4360	0.000	1	122.4360	0.000	1	122.4360	0.000	1	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(CC[6a]O){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|S<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	122.0610	0.000	1	122.0610	0.000	1	122.0610	0.000	1	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(NCH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CHN){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2)(NCH)(H)	120.0430	1.199	2	120.0430	1.438	2	120.0430	1.438	2	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6a]O)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6a]O)(CC[6a]H){1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	117.7880	0.266	2	117.7880	0.071	2	117.8166	0.327	9	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[6a]H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|O<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	117.8247	0.651	7	117.8247	0.424	7	117.8166	0.327	9	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH)	C[6](C[6]C[6]C)2(Cl)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(Cl){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CC[5]H)(H)	122.8216	1.194	8	122.7556	0.989	12	122.7556	0.989	12	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH)	C[6](C[6]C[6]C)2(Cl)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)2(Cl){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CC[5]H)(H)	122.6235	0.515	4	122.7556	0.989	12	122.7556	0.989	12	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CC[5a]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CC[5a]H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	126.1130	0.000	1	126.1130	0.000	1	126.1130	0.000	1	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]Al2)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CAlSi)(H)	C[6](C[6]C[6]Al2)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Al<4>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(CAlSi)(H)	120.5030	0.000	1	120.5030	0.000	1	119.8454	3.340	42	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]CF)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]CF)(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	123.9740	0.000	1	123.9740	0.000	1	119.8454	3.340	42	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	119.6320	0.000	1	119.5948	0.541	4	119.8454	3.340	42	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	118.6760	0.000	1	119.5948	0.541	4	119.8454	3.340	42	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|O<1>,3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	120.0355	0.624	2	119.5948	0.541	4	119.8454	3.340	42	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(CCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CCC)(H)	123.5350	0.747	2	123.5350	0.558	2	119.8454	3.340	42	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,3|C<4>}	C[6](C[6]C[6]C)2(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CC[5]H)(H)	118.8020	0.000	1	118.8020	0.000	1	119.8454	3.340	42	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(CC[5a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,3|C<4>}	C[6](C[6]C[6]C)2(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CC[5a]H)(H)	119.0570	0.000	1	119.0570	0.000	1	119.8454	3.340	42	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	118.8230	0.000	1	119.0714	0.346	29	119.8454	3.340	42	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,3|C<4>}	C[6](C[6]C[6]C)2(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	119.0802	0.597	28	119.0714	0.346	29	119.8454	3.340	42	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]IrH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CIrC)(H)	C[6](C[6]C[6]IrH)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ir<7>,1|C<3>,1|C<4>,1|H<2>}	C(C[6]C[6]2)(CIrC)(H)	122.8120	0.000	1	122.8120	0.000	1	119.8454	3.340	42	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCH){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,4|H<1>}	C(C[6]C[6]2)(CCH)(H)	125.5120	0.000	1	125.5120	0.000	1	119.8454	3.340	42	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]O[6]CC)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6]O)(H)	C[6](C[6]O[6]CC)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CC[6]O)(H)	124.3290	0.000	1	124.3290	0.000	1	119.8454	3.340	42	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a]Si)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(NC[6a]Si)(H)	119.7760	0.000	1	119.7760	0.000	1	118.5779	4.036	67	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6]Cu)(H)	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ce<18>,1|C<3>,1|H<1>,1|O<3>}	C(C[6]C[6]2)(NC[6]Cu)(H)	117.2283	0.752	4	117.2283	0.566	4	118.5779	4.036	67	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Dy<11>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NC[6a]H)(H)	119.1940	0.578	2	119.1940	0.335	2	118.5779	4.036	67	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NNiC)(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Dy<15>,1|C<3>,1|H<1>,1|O<3>}	C(C[6]C[6]2)(NNiC)(H)	117.4835	0.418	2	117.4835	0.175	2	118.5779	4.036	67	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]ErO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NZnC)(H)	C[6](C[6]C[6]ErO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Er<14>,1|C<3>,1|H<1>,1|O<3>}	C(C[6]C[6]2)(NZnC)(H)	117.9670	0.000	1	117.9670	0.000	1	118.5779	4.036	67	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]Fe2)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NFeC)(H)	C[6](C[6]C[6]Fe2)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Fe<5>,1|Fe<6>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(NFeC)(H)	124.8815	0.317	2	124.1522	0.776	5	118.5779	4.036	67	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]Fe2)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NFeC)(H)	C[6](C[6]C[6]Fe2)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Fe<6>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(NFeC)(H)	123.6660	0.785	3	124.1522	0.776	5	118.5779	4.036	67	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NNiC)(H)	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Gd<15>,1|C<3>,1|H<1>,1|O<3>}	C(C[6]C[6]2)(NNiC)(H)	117.6865	0.513	2	117.2438	0.594	4	118.5779	4.036	67	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NNiC)(H)	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Gd<17>,1|C<4>,1|H<1>,1|O<3>}	C(C[6]C[6]2)(NNiC)(H)	116.8010	0.857	2	117.2438	0.594	4	118.5779	4.036	67	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]HoO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]HoO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ho<15>,1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NC[6a]H)(H)	119.1515	0.786	2	119.1515	0.617	2	118.5779	4.036	67	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]LaO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]LaO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|La<18>,1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NC[6a]H)(H)	118.6640	1.435	3	118.6640	2.059	3	118.5779	4.036	67	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]LaO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NZnO)(H)	C[6](C[6]C[6]LaO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|La<18>,1|C<3>,1|C<4>,1|O<3>}	C(C[6]C[6]2)(NZnO)(H)	116.4608	1.047	6	116.4608	1.097	6	118.5779	4.036	67	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]NdO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6]Cu)(H)	C[6](C[6]C[6]NdO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Nd<18>,1|C<3>,1|H<1>,1|O<3>}	C(C[6]C[6]2)(NC[6]Cu)(H)	116.9860	0.216	2	116.9860	0.047	2	118.5779	4.036	67	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a]Zn)(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<16>,1|C<4>,1|H<1>,1|O<3>}	C(C[6]C[6]2)(NC[6a]Zn)(H)	117.9070	0.645	4	117.9070	0.416	4	118.5779	4.036	67	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NCuC)(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<16>,1|C<4>,1|H<1>,1|O<3>}	C(C[6]C[6]2)(NCuC)(H)	118.4642	0.887	12	118.4642	0.787	12	118.5779	4.036	67	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NZnC)(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<16>,1|C<4>,1|H<1>,1|O<3>}	C(C[6]C[6]2)(NZnC)(H)	119.3455	1.073	4	119.3455	1.151	4	118.5779	4.036	67	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]TbO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]TbO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Tb<11>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NC[6a]H)(H)	119.3760	0.940	2	119.2087	0.678	4	118.5779	4.036	67	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]TbO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]TbO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Tb<15>,1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NC[6a]H)(H)	119.0415	1.019	2	119.2087	0.678	4	118.5779	4.036	67	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]TbO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NZnC)(H)	C[6](C[6]C[6]TbO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Tb<16>,1|C<4>,1|H<1>,1|O<3>}	C(C[6]C[6]2)(NZnC)(H)	116.4730	1.527	2	116.4730	2.333	2	118.5779	4.036	67	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NCaN)(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<12>,1|C<4>,1|H<1>,1|O<3>}	C(C[6]C[6]2)(NCaN)(H)	119.6543	0.210	3	119.6543	0.044	3	118.5779	4.036	67	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NTiC)(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<7>,1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NTiC)(H)	116.3200	0.000	1	116.3200	0.000	1	118.5779	4.036	67	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Yb<15>,1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NC[6a]H)(H)	118.4055	0.493	2	118.4055	0.243	2	118.5779	4.036	67	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC[6a]Zr)(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CHN){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NC[6a]Zr)(H)	118.2990	0.000	1	118.2990	0.000	1	118.5779	4.036	67	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC[6a]Zr)(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CHN){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NC[6a]Zr)(H)	118.5930	0.346	2	118.5930	0.120	2	118.5779	4.036	67	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNO){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	123.1090	0.000	1	123.1090	0.000	1	118.5052	3.800	11	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNO){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(NCC)(O)	119.3320	0.072	2	119.3320	0.005	2	118.5052	3.800	11	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]OU)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<14>,1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]2)(NC[6a]H)(O)	115.7480	0.000	1	115.7480	0.000	1	118.5052	3.800	11	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]OU)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CNO){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|U<12>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(NCH)(O)	117.2645	0.046	2	117.2645	0.002	2	118.5052	3.800	11	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]OU)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CNO){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|U<12>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(NC[6a]H)(O)	118.0095	0.657	2	117.6427	0.619	3	118.5052	3.800	11	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]OU)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CNO){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|U<14>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(NC[6a]H)(O)	116.9090	0.000	1	117.6427	0.619	3	118.5052	3.800	11	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CNO){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Yb<14>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(NCH)(O)	119.2895	0.221	2	119.2895	0.049	2	118.5052	3.800	11	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CC[6a]H)	C[6](C[6]C[6]C)2(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CC[6a]H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]C)2(H){1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	120.1620	0.438	2	120.1620	0.192	2	120.1620	0.192	2	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	122.1405	0.337	2	122.1405	0.114	2	123.2753	3.920	3	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]C)2(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CC[6a]O){1|S<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	125.5450	0.000	1	125.5450	0.000	1	123.2753	3.920	3	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	C[6](C[6]C[6]C)2(O)	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	C(C[5a]C[5a]N[5a])(C[6]C[6]2)(H)	116.7432	0.634	4	116.7432	0.402	4	116.7034	0.456	18	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	C[6](C[6]C[6]C)2(O)	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	117.0350	0.906	4	117.0350	0.820	4	116.7034	0.456	18	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	C[6](C[6]C[6]C)2(O)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	116.7900	0.631	2	116.2802	0.480	4	116.7034	0.456	18	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	C[6](C[6]C[6]C)2(O)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	115.7705	0.050	2	116.2802	0.480	4	116.7034	0.456	18	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5a]H)	C[6](C[6]C[6]C)2(O)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	116.7378	0.543	6	116.7378	0.295	6	116.7034	0.456	18	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CCH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	C(C[6]C[6]2)(CCH)(H)	119.0963	0.785	3	119.0963	0.616	3	119.0963	0.616	3	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]H)	C[6](C[6]C[6]C)2(O)	C(C[6]C[6]2)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	C(C[6]C[6]2)2(H)	115.1543	0.594	3	115.1543	0.352	3	115.1543	0.352	3	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(NHS)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CHN){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(NHS)(H)	120.7130	0.000	1	120.7130	0.000	1	120.7130	0.000	1	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	116.8275	0.841	2	116.8275	0.707	2	116.9417	0.758	162	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	116.5343	0.791	83	116.5446	0.618	85	116.9417	0.758	162	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	116.9690	0.522	2	116.5446	0.618	85	116.9417	0.758	162	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O)	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(H)	116.2110	0.000	1	116.2110	0.000	1	116.9417	0.758	162	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	116.2745	0.820	2	116.2745	0.672	2	116.9417	0.758	162	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	118.1610	0.808	2	117.4084	0.485	68	116.9417	0.758	162	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	117.3485	0.407	2	117.4084	0.485	68	116.9417	0.758	162	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	117.6007	0.578	6	117.4084	0.485	68	116.9417	0.758	162	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|N<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	116.7125	0.377	2	117.4084	0.485	68	116.9417	0.758	162	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)2(O){1|N<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	118.0145	0.250	4	117.4084	0.485	68	116.9417	0.758	162	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	117.1781	0.623	34	117.4084	0.485	68	116.9417	0.758	162	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,3|C<4>}	C[6](C[6]C[6]C)2(O){1|N<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	117.5035	0.582	4	117.4084	0.485	68	116.9417	0.758	162	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	117.6857	0.839	14	117.4084	0.485	68	116.9417	0.758	162	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]O[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]O[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)2(O){1|O<2>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	118.0182	0.796	4	118.0182	0.634	4	116.9417	0.758	162	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,3|H<1>}	C(C[6]C[6]2)(NHH)(O)	116.4230	0.000	1	116.4230	0.000	1	116.4230	0.000	1	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[5]-3:O-1:	C[6](C[6]C[6]CH)(C[6]N[6]H)(CN[5]O)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(N[5]C[5]2)(O)	C[6](C[6]C[6]CH)(C[6]N[6]H)(CN[5]O){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(O)	122.6520	0.000	1	122.6520	0.000	1	122.6520	0.000	1	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6]C)(N[6]N[6]S)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]O){1|C<3>,1|N<2>,1|S<4>}	C[6](C[6]C[6]C)(N[6]N[6]S)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	120.7860	0.000	1	120.7860	0.000	1	121.6207	0.576	3	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	121.8060	0.000	1	122.0380	0.108	2	121.6207	0.576	3	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	122.2700	0.000	1	122.0380	0.108	2	121.6207	0.576	3	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(CC[6a]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	116.7853	1.212	4	116.7853	1.468	4	116.7853	1.468	4	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	N[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CN[6a]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C(N[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CN[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	C(N[6a]C[6a]2)(C[6]C[6]2)(H)	115.6370	0.000	1	115.6370	0.000	1	115.6370	0.000	1	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	122.7670	0.000	1	122.7670	0.000	1	121.7697	1.857	3	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	120.2170	0.000	1	120.2170	0.000	1	121.7697	1.857	3	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]N[6]HH)(C[6]N[6]H)(CC[6a]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]N[6]HH)(C[6]N[6]H)(CC[6a]O){1|C<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	122.3250	0.000	1	122.3250	0.000	1	121.7697	1.857	3	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	N[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]Co2)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Co)(O)	C[6](N[6]C[6]Co2)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){2|Co<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Co)(O)	118.6205	0.203	2	118.6205	0.041	2	118.3990	0.143	4	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	N[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](N[6]C[6]ZrO)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NCH)(O)	C[6](N[6]C[6]ZrO)(C[6]C[6]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zr<16>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(NCH)(O)	118.1775	0.438	2	118.1775	0.192	2	118.3990	0.143	4	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:1:	P[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-1:	C[6](P[6]C[6,6a]C[6a]2)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6,6a]C[6a])(C[6]P[6]C)(H)	C(C[6]C[6]P[6])(C[6a]C[6a]2)(O)	C[6](P[6]C[6,6a]C[6a]2)(C[6]C[6]H)(CC[6a]O){7|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]P[6]C)(H){6|C<3>}	C(C[6]C[6]P[6])(C[6a]C[6a]2)(O)	127.1680	0.000	1	127.1680	0.000	1	127.1680	0.000	1	118.1782	4.917	361	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:2:	C[4,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-2:	C[6](C[4,6]C[4,6]2H)(C[6]C[6]H)(CCC)	C[6](C[6]C[4,6]C)(C[6]C[6]H)(H)	C(C[6]C[4,6]C[6])(COO)(CN)	C[6](C[4,6]C[4,6]2H)(C[6]C[6]H)(CCC){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[4,6]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[4,6]C[6])(COO)(CN)	122.0405	1.460	2	122.0405	2.132	2	122.0405	2.132	2	121.4789	1.521	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:2:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-2:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(COO)(CN)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC){1|C<3>,3|C<4>}	C[6](C[6]C[6]C)2(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(COO)(CN)	120.9555	1.201	4	120.9555	1.442	4	120.9555	1.442	4	121.4789	1.521	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:2:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:S-2:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCS)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CC[6a]H)(SC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCS){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(SC[6a])	122.4490	0.000	1	122.4490	0.000	1	122.4490	0.000	1	121.4789	1.521	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:3:	C[6]-4:C-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]FeH)(CC[5a]C[6a])(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6]C[6]2)	C[6](C[6]C[6]FeH)(CC[5a]C[6a])(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6]C[6]2)	119.0075	1.220	2	119.0075	1.488	2	119.0075	1.488	2	118.7940	1.217	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC[5a]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC[5a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>}	C(C[5a]C[5a]N[5a])2(C[6]C[6]2)	119.5760	0.000	1	119.5760	0.000	1	119.5760	0.000	1	118.7940	1.217	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-3:	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(NC[6a]Zr)(NC[6a]H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CNN){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NC[6a]Zr)(NC[6a]H)	117.5850	0.000	1	117.5850	0.000	1	117.5850	0.000	1	118.7940	1.217	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:4:	C[3,4,4,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:C-4:	C[6](C[3,4,4,6]C[4,4,3x6]H[3,3,4]2)(C[6]C[6]H)(CC[5]C)	C[6](C[6]C[3,4,4,6]C)(C[6]C[4,4,3x6]H)(H)	C(C[6]C[3,4,4,6]C[6])(C[5]C[5,6a]C[5])(CCHH)	C[6](C[3,4,4,6]C[4,4,3x6]H[3,3,4]2)(C[6]C[6]H)(CC[5]C){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[3,4,4,6]C)(C[6]C[4,4,3x6]H)(H){1|C<3>,2|C<4>,2|H<3>}	C(C[6]C[3,4,4,6]C[6])(C[5]C[5,6a]C[5])(CCHH)	118.7000	0.000	1	118.7000	0.000	1	118.7000	0.000	1	121.3918	14.590	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:4:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:O-1:	C[6]-3:C-3:C-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCC)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]2)(CC[6a]O)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCC){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(O){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6]2)(CC[6a]O)(CH3)	116.9070	0.126	2	116.9070	0.016	2	116.9070	0.016	2	121.3918	14.590	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:4:	N[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]MgC)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]Mg)(CH3)	C[6](N[6]C[6]MgC)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]Mg)(CH3)	126.8020	2.967	2	126.8020	8.803	2	123.3353	9.313	6	121.3918	14.590	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:3:4:	N[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:C-4:	C[6](N[6]C[6]Ni2)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C(C[6]C[6]N[6])(NNiN)(CH3)	C[6](N[6]C[6]Ni2)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){2|Ni<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NNiN)(CH3)	121.6020	0.755	4	121.6020	0.570	4	123.3353	9.313	6	121.3918	14.590	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[5a,6]-3:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]O)(CCH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5a,6]O)(CCH){2|C<3>,2|S<2>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(H)	118.5520	0.000	1	118.5520	0.000	1	118.5520	0.000	1	120.6336	0.856	25	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CCHH)(H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(CCHH)(H)	121.3695	1.032	2	121.3695	1.064	2	121.1807	0.639	3	120.6336	0.856	25	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CCHO)(H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(CCHO)(H)	120.8030	0.000	1	120.8030	0.000	1	121.1807	0.639	3	120.6336	0.856	25	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(CH3)(O)	118.9060	0.000	1	118.9060	0.000	1	118.9060	0.000	1	120.6336	0.856	25	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:S-1:	C[6]-3:C-4:S-1:	C[6](C[6]C[6]HH)(C[6]C[6]S)(CCS)	C[6](C[6]C[6]C)2(S)	C(C[6]C[6]2)(CH3)(S)	C[6](C[6]C[6]HH)(C[6]C[6]S)(CCS){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(S){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CH3)(S)	119.6503	0.351	3	119.6503	0.123	3	119.6503	0.123	3	120.6336	0.856	25	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]CH)(C[6]N[6]H)(CCO){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(CH3)(O)	120.8390	1.009	4	120.8390	1.018	4	120.8989	0.462	14	120.6336	0.856	25	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO){1|C<4>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(O)	120.9228	0.570	10	120.9228	0.325	10	120.8989	0.462	14	120.6336	0.856	25	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO){1|C<4>,1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2)(CH3)(O)	121.3050	0.000	1	121.1017	0.135	3	121.1017	0.135	3	120.6336	0.856	25	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CCO){5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|H<1>,4|C<3>}	C(C[6]C[6]2)(CH3)(O)	121.0000	0.455	2	121.1017	0.135	3	121.1017	0.135	3	120.6336	0.856	25	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:4:2:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C-4:O-2:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C(C[6]C[6]2)(CCCH)(OH)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(CCCH)(OH)	118.3500	0.000	1	118.3500	0.000	1	118.3500	0.000	1	118.3500	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:4:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6]OV)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]2)(CH3)(NCV)	C[6](C[6]C[6]OV)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,1|V<6>}	C(C[6]C[6]2)(CH3)(NCV)	120.2270	0.000	1	120.2270	0.000	1	120.6360	0.335	2	120.6360	0.335	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:4:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-3:	C[6](C[6]C[6]OV)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(CH3)(NNV)	C[6](C[6]C[6]OV)(C[6]C[6]H)(CCN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<8>}	C(C[6]C[6]2)(CH3)(NNV)	121.0450	0.000	1	121.0450	0.000	1	120.6360	0.335	2	120.6360	0.335	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:4:4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(CCC)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(CCC){5|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,5|C<3>}	C(C[6]C[6]2)(CH3)2	122.2880	0.000	1	122.2880	0.000	1	122.2880	0.000	1	123.0580	1.186	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	3:4:4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CCC)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)2	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CCC){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CH3)2	123.8280	0.000	1	123.8280	0.000	1	123.8280	0.000	1	123.0580	1.186	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[5]-4:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]H)	C[6](C[6]C[6]C)2(O)	C(C[5]C[5]2Fe)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	C(C[5]C[5]2Fe)(C[6]C[6]2)(H)	117.2650	0.397	2	117.2650	0.158	2	117.3706	0.353	8	117.3706	0.353	8	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[5]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5]H)	C[6](C[6]C[6]C)2(O)	C(C[5]C[5]2Fe)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5]H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)2(O){1|N<4>,4|H<1>}	C(C[5]C[5]2Fe)(C[6]C[6]2)(H)	118.0055	0.476	2	117.4058	0.456	6	117.3706	0.353	8	117.3706	0.353	8	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[5]-4:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5]H)	C[6](C[6]C[6]C)2(O)	C(C[5]C[5]2Fe)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5]H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	C(C[5]C[5]2Fe)(C[6]C[6]2)(H)	117.1060	0.571	4	117.4058	0.456	6	117.3706	0.353	8	117.3706	0.353	8	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C-4:C[6]-3:B-3:	C[6](C[6]C[6]ZrH)(C[6]C[6]H)(CBC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(CC[6a]ZrC)(C[6]C[6]2)(BC[6a]2)	C[6](C[6]C[6]ZrH)(C[6]C[6]H)(CBC){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<15>,1|C<3>,1|H<1>,1|H<2>}	C(CC[6a]ZrC)(C[6]C[6]2)(BC[6a]2)	123.4510	0.000	1	123.4510	0.000	1	123.4510	0.000	1	123.4510	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:2:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(OH)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(COO){1|N<3>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(OH){1|H<1>,5|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	119.5560	0.000	1	119.5560	0.000	1	119.5560	0.000	1	119.3080	0.446	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6])	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6]){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(OC)(O)	120.2050	0.000	1	120.2050	0.000	1	120.2050	0.000	1	119.3080	0.446	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6a]C)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(COO){5|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]C)(OH){1|H<1>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	118.4310	0.000	1	118.4310	0.000	1	118.6845	0.129	2	119.3080	0.446	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){2|C<4>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	118.9380	0.000	1	118.9380	0.000	1	118.6845	0.129	2	119.3080	0.446	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(COO){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	119.4100	0.000	1	119.4100	0.000	1	119.4100	0.000	1	119.3080	0.446	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:2:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-2:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<4>,3|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	121.6130	0.000	1	121.6130	0.000	1	121.6130	0.000	1	123.7883	2.320	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:2:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	124.6530	0.000	1	124.5133	0.325	3	124.5133	0.325	3	123.7883	2.320	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:2:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O){1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	123.8860	0.000	1	124.5133	0.325	3	124.5133	0.325	3	123.7883	2.320	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:2:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	125.0010	0.000	1	124.5133	0.325	3	124.5133	0.325	3	123.7883	2.320	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:2:	3:3:3:	C[5,6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:C-3:C-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CCC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(OC)	C(C[6]C[5,6]C[6])(CC[6a]O)(CCH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CCC){1|N<3>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(OC){1|H<1>,5|C<3>}	C(C[6]C[5,6]C[6])(CC[6a]O)(CCH)	123.0295	0.449	2	123.0295	0.202	2	123.0295	0.202	2	123.0295	0.202	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:2:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C-4:O-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	C(C[6]C[6]2)(CF3)(O)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CCO){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){2|C<3>,2|H<1>}	C(C[6]C[6]2)(CF3)(O)	127.4240	0.000	1	127.4240	0.000	1	127.4240	0.000	1	127.4240	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:1:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CHH)	C[6](C[6]C[5,6]C)(C[6]C[6,6]H)(CCO)	C(C[6]C[5,6]C[6])(H)2	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6,6]H)(CCO){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[5,6]C[6])(H)2	126.9840	0.000	1	126.9840	0.000	1	126.9840	0.000	1	123.1675	6.903	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:1:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:H-1:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CHO)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CHO){1|S<4>,6|C<3>}	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,5|C<3>}	C(C[6]C[6]2)(H)(O)	121.0340	0.000	1	121.0340	0.000	1	121.8953	0.645	3	123.1675	6.903	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:1:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:H-1:O-1:	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(CHO)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6])(CHO){1|H<1>,1|N<2>,5|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,3|H<1>,4|C<3>}	C(C[6]C[6]2)(H)(O)	122.0290	0.000	1	122.0290	0.000	1	121.8953	0.645	3	123.1675	6.903	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:1:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:H-1:O-1:	C[6](C[6]N[5a,6]HH)(C[6]C[6a]N[6])(CHO)	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]2)(H)(O)	C[6](C[6]N[5a,6]HH)(C[6]C[6a]N[6])(CHO){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,3|C<3>,4|H<1>}	C(C[6]C[6]2)(H)(O)	122.6230	0.000	1	122.6230	0.000	1	121.8953	0.645	3	123.1675	6.903	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	As[6]-4:C[6]-3:C-3:	As[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](As[6]C[6]PtC)(C[6]As[6]C)(COO)	C[6](As[6]C[6]C)(C[6]As[6]C)(COO)	C(C[6]As[6]C[6])(OC)(O)	C[6](As[6]C[6]PtC)(C[6]As[6]C)(COO){1|C<4>,2|C<3>}	C[6](As[6]C[6]C)(C[6]As[6]C)(COO){1|Pt<4>,1|C<4>,2|C<3>}	C(C[6]As[6]C[6])(OC)(O)	120.4474	1.582	12	120.4474	2.501	12	120.4474	2.501	12	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(COO)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]C)(COO){1|N<3>,1|O<1>,5|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(COO){1|N<3>,3|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	124.7490	0.000	1	124.7490	0.000	1	124.7490	0.000	1	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO)	C[6](C[6]C[5,6]C)(N[6]C[6]H)(COO)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]C)(N[6]C[6]H)(COO){1|N<3>,3|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	121.9250	0.000	1	121.9250	0.000	1	121.9250	0.000	1	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	N[5,6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]C)(COO)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C)(COO)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]C)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[5,6]C)(COO){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	118.0360	0.000	1	118.0360	0.000	1	118.0360	0.000	1	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	N[6,6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]N[5,6]C[6a])(C[6]N[6,6]C)(COO)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]C)(COO)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]N[5,6]C[6a])(C[6]N[6,6]C)(COO){1|C<4>,1|S<4>,5|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]C)(COO){1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	116.6970	0.000	1	116.6970	0.000	1	116.6970	0.000	1	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO){1|C<4>,1|H<1>,5|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	117.8300	0.000	1	119.5060	2.159	3	119.5060	2.159	3	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO){1|N<3>,1|O<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO){6|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	120.3440	0.324	2	119.5060	2.159	3	119.5060	2.159	3	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:S-2:S-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[5a]N[6])(CSS)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H)	C(C[6]C[6]2)(SC)(S)	C[6](C[6]C[6a]N[6]H)(C[6]C[5a]N[6])(CSS){1|O<2>,2|H<1>,4|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[6]2)(SC)(S)	127.2570	0.000	1	127.2570	0.000	1	127.2570	0.000	1	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(COO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]C)(COO){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	120.1330	0.000	1	120.1330	0.000	1	120.1330	0.000	1	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	120.4560	0.344	2	120.4560	0.118	2	120.4560	0.118	2	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CHN)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CHN){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	122.7955	0.091	2	122.7955	0.008	2	122.7070	0.028	3	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(OC)(O)	122.5300	0.000	1	122.5300	0.000	1	122.7070	0.028	3	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO){1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6]2)(OC)(O)	124.0720	0.000	1	124.2174	0.100	5	124.1578	0.841	10	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO){1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	C(C[6]C[6]2)(OC)(O)	124.2550	0.560	2	124.2174	0.100	5	124.1578	0.841	10	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(COO){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	C(C[6]C[6]2)(OC)(O)	124.2525	0.248	2	124.2174	0.100	5	124.1578	0.841	10	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(COO){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	124.6020	0.828	4	124.0982	1.783	5	124.1578	0.841	10	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6])(COO){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C(C[6]C[6]2)(OC)(O)	122.0830	0.000	1	124.0982	1.783	5	124.1578	0.841	10	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[3x6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]CH)(C[6]N[3x6]C)(COO)	C[6](N[3x6]C[3x6]2)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5,6]CH)(C[6]N[3x6]C)(COO){2|C<3>,2|C<4>}	C[6](N[3x6]C[3x6]2)(C[6]C[6]C)(COO){2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	118.4280	0.000	1	118.4280	0.000	1	118.4280	0.000	1	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[5,6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]CC)(C[6]N[5,6]C)(COO)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5,6]CC)(C[6]N[5,6]C)(COO){1|C<4>,3|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<2>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	117.7950	0.000	1	117.7950	0.000	1	117.7950	0.000	1	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6,6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]CH)(C[6]N[6,6]C)(COO)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5,6]CH)(C[6]N[6,6]C)(COO){1|C<4>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(COO){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	123.5240	0.000	1	123.5240	0.000	1	123.5240	0.000	1	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6,6]-3:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(COO)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]N)(COO){1|C<4>,1|N<3>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NHH){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	119.9080	0.000	1	119.9080	0.000	1	119.9080	0.000	1	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO){1|H<1>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	118.5120	0.000	1	118.5120	0.000	1	121.5279	3.777	23	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|C<2>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	C(C[6]C[6]2)(OC)(O)	122.3440	2.685	4	122.4080	4.307	9	121.5279	3.777	23	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	124.2130	0.000	1	122.4080	4.307	9	121.5279	3.777	23	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	C(C[6]C[6]2)(OC)(O)	122.0207	1.728	4	122.4080	4.307	9	121.5279	3.777	23	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]HH)(C[6]N[6]C)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[6]HH)(C[6]N[6]C)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|N<3>,3|C<3>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	121.1506	1.600	13	121.1506	2.559	13	121.5279	3.777	23	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(COO)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(COO){5|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]C)(NHH){1|H<1>,1|S<2>,4|C<3>}	C(C[6]C[6]2)(OC)(O)	119.0170	0.000	1	119.0170	0.000	1	119.2267	0.105	3	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(COO){5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	C(C[6]C[6]2)(OC)(O)	119.3315	0.378	2	119.3315	0.143	2	119.2267	0.105	3	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:2:1:	Si[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](Si[6]C[6]CC)(C[6]C[6]C)(COO)	C[6](C[6]Si[6]C)(C[6]C[6]C)(COO)	C(C[6]Si[6]C[6])(OC)(O)	C[6](Si[6]C[6]CC)(C[6]C[6]C)(COO){3|C<3>}	C[6](C[6]Si[6]C)(C[6]C[6]C)(COO){1|C<3>,1|H<1>,2|C<4>}	C(C[6]Si[6]C[6])(OC)(O)	121.7680	0.000	1	121.7680	0.000	1	121.7680	0.000	1	121.4558	5.324	67	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6a]-3:N[6]-3:	C[6]-3:C[6a]-3:O-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]N[6])(CC[6a]O)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(N[6]C[6]H)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]N[6])(CC[6a]O){1|N<2>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(N[6]C[6]H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,3|H<1>}	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	127.3320	0.000	1	127.3320	0.000	1	127.3320	0.000	1	121.9413	10.107	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	N[5,6]-3:C[6]-3:N-3:	C[6]-3:C[6a]-3:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]N)(CC[6a]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]C)(NHH)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]N)(CC[6a]O){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]C)(NHH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	117.8123	0.564	4	117.8123	0.318	4	117.8123	0.318	4	121.9413	10.107	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]C)2(CCC)	C(C[6]C[6]2)(CCC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH){3|C<3>}	C[6](C[6]C[6]C)2(CCC){2|C<3>,2|C<4>}	C(C[6]C[6]2)(CCC)(H)	122.2360	0.955	2	122.2360	0.911	2	123.4025	2.245	4	121.9413	10.107	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]C)(C[6]O[6]O)(COO)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]O[6]O)(COO){1|C<4>,2|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	124.5690	0.618	2	124.5690	0.382	2	123.4025	2.245	4	121.9413	10.107	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]O[6]HH)(C[6]C[6]C)(CC[6a]H)	C[6](C[6]C[6]C)2(CCC)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]O[6]HH)(C[6]C[6]C)(CC[6a]H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)2(CCC){1|O<1>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	121.5730	0.000	1	121.5730	0.000	1	121.5730	0.000	1	121.9413	10.107	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]2)(CCH)	C[6](C[6]C[5,6]C[6])(C[6]C[6]C)2	C(C[6]C[6]2)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]2)(CCH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]C)2{2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6]2)(CCC)(H)	126.5235	0.697	2	126.5235	0.485	2	126.5235	0.485	2	121.9413	10.107	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N-3:S-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CNS)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C(C[6]C[6]2)(NC[6a]H)(S)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CNS){1|C<2>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){3|H<1>,5|C<3>}	C(C[6]C[6]2)(NC[6a]H)(S)	121.8000	0.000	1	121.8000	0.000	1	121.8000	0.000	1	121.9413	10.107	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O){4|C<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	124.3370	0.682	2	124.3370	0.465	2	124.3370	0.465	2	121.9413	10.107	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:N-3:	C[6]-3:N-3:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CNO)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]N)(CNO){5|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	C(C[6]C[6]2)(NHH)(O)	118.8250	0.000	1	118.8250	0.000	1	119.0975	0.149	2	121.9413	10.107	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:N-3:	C[6]-3:N-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CNO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(NHH)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CNO){5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	C(C[6]C[6]2)(NHH)(O)	119.3700	0.000	1	119.3700	0.000	1	119.0975	0.149	2	121.9413	10.107	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:N-3:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(CC[6a]O)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]C)(NHH)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(CC[6a]O){5|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]C)(NHH){1|H<1>,1|S<2>,4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	119.8350	0.000	1	119.8350	0.000	1	120.1680	0.222	2	121.9413	10.107	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:N-3:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CC[6a]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CC[6a]O){1|H<1>,5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|S<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	120.5010	0.000	1	120.5010	0.000	1	120.1680	0.222	2	121.9413	10.107	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(CC[6a]O)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(CC[6a]O){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	123.0100	0.000	1	123.0100	0.000	1	123.0100	0.000	1	121.9413	10.107	20	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:4:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(CCH)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C(C[6]C[5,6]C[6])(CCHH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(CCH){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[5,6]C[6])(CCHH)(H)	121.2970	0.000	1	121.2970	0.000	1	121.2970	0.000	1	123.3572	13.210	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]S)(CCH)	C(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|S<4>,3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]S)(CCH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CCHH)(H)	127.4190	0.000	1	127.4190	0.000	1	126.3405	2.326	2	123.3572	13.210	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(CC[6a]O)	C(C[6]C[6]2)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(CC[6a]HH)(H)	125.2620	0.000	1	125.2620	0.000	1	126.3405	2.326	2	123.3572	13.210	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:N-3:	C[6]-3:C-4:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(CC3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CCO){5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,5|C<3>}	C(C[6]C[6]2)(CC3)(O)	119.4510	0.000	1	119.4510	0.000	1	119.4510	0.000	1	123.3572	13.210	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:4:4:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CCC)	C(C[6]C[5,6]C[6])(CH3)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CCC){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6])(CH3)2	124.1770	0.000	1	123.9060	0.147	2	123.9060	0.147	2	123.1473	1.019	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:4:4:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CCC)	C(C[6]C[5,6]C[6])(CH3)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CCC){2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(CH3)2	123.6350	0.000	1	123.9060	0.147	2	123.9060	0.147	2	123.1473	1.019	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:4:4:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(CCC)	C[6](C[6]C[5,6]C)(C[6]C[6]2)(C[6]C[6]O)	C(C[6]C[5,6]C[6])(CH3)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(CCC){1|N<3>,1|O<1>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]2)(C[6]C[6]O){4|C<4>,7|H<1>}	C(C[6]C[5,6]C[6])(CH3)2	123.8965	0.080	2	123.8965	0.006	2	123.8965	0.006	2	123.1473	1.019	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:4:4:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(CCC)	C[6](C[6]C[6,6]C)(C[6]C[6]2)(C[6]C[6]O)	C(C[6]C[6,6]C[6])(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(CCC){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]2)(C[6]C[6]O){4|C<4>,7|H<1>}	C(C[6]C[6,6]C[6])(CH3)2	122.7750	0.000	1	122.7750	0.000	1	122.7750	0.000	1	123.1473	1.019	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:3:	3:4:4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C-4:C-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCC)	C[6](C[6]C[6]C)2(CCC)	C(C[6]C[6]2)(CH3)2	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCC){3|C<3>}	C[6](C[6]C[6]C)2(CCC){2|C<3>,2|C<4>}	C(C[6]C[6]2)(CH3)2	121.8255	0.231	2	121.8255	0.053	2	121.8255	0.053	2	123.1473	1.019	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]2)(H)2	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(CHH){1|H<1>,3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)2	123.6490	0.000	1	123.6490	0.000	1	123.3385	0.193	2	123.3385	0.193	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]C[6]C)2(CH3)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|C<4>,3|C<3>}	C[6](C[6]C[6]C)2(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)2	123.0280	0.000	1	123.0280	0.000	1	123.3385	0.193	2	123.3385	0.193	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]C)(COO)	C[6](C[6]C[5,6]C)(N[6]C[6]H)(CH3)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]C)(COO){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C)(N[6]C[6]H)(CH3){1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	121.0310	0.000	1	121.0310	0.000	1	121.0310	0.000	1	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6,6]C)(N[6]C[6,6]H)(CF3)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]C)(COO){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]C)(N[6]C[6,6]H)(CF3){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(OC)(O)	128.4230	0.000	1	128.4230	0.000	1	125.5280	16.762	2	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6,6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6,6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6,6]C[6])(OC)(O)	122.6330	0.000	1	122.6330	0.000	1	125.5280	16.762	2	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]S[6]H)(C[6]C[5a,6]C)(COO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]S[6]H)(C[6]C[5a,6]C)(COO){4|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	122.1940	0.000	1	122.1940	0.000	1	122.1940	0.000	1	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHN)	C[6](C[6]C[6]C)2(CH3)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHN){1|C<4>,3|C<3>}	C[6](C[6]C[6]C)2(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2)(NN)(H)	121.1710	0.000	1	121.1710	0.000	1	121.1710	0.000	1	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]C)2(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){2|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	121.7310	0.000	1	121.7310	0.000	1	121.7310	0.000	1	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	125.4620	0.000	1	122.3949	3.682	28	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	123.0885	2.555	2	122.3949	3.682	28	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	123.3035	3.190	4	122.3949	3.682	28	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	120.9300	0.000	1	122.3949	3.682	28	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	122.4950	0.038	2	122.3949	3.682	28	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	122.0158	1.607	18	122.3949	3.682	28	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]2)(OC)(O)	127.9560	0.000	1	124.2525	8.037	6	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(OC)(O)	121.8270	0.000	1	124.2525	8.037	6	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]2)(OC)(O)	126.3930	0.000	1	124.2525	8.037	6	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(OC)(O)	125.9520	0.000	1	124.2525	8.037	6	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]2)(OC)(O)	121.6935	0.145	2	124.2525	8.037	6	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(OC)(O)	121.9960	0.030	2	121.9960	0.001	2	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	122.2030	0.000	1	121.7535	0.404	2	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|C<4>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	121.3040	0.000	1	121.7535	0.404	2	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(OC)(O)	123.8010	1.761	2	123.1620	4.825	4	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2)(OC)(O)	122.5230	3.121	2	123.1620	4.825	4	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCCH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]HH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	123.7665	3.231	2	123.7665	10.438	2	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	122.6630	0.000	1	122.4410	0.069	4	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	122.3670	0.265	3	122.4410	0.069	4	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	124.8100	0.000	1	122.2883	4.973	135	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	120.7820	0.000	1	122.2883	4.973	135	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	122.0423	2.451	3	122.2883	4.973	135	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	122.2776	2.233	127	122.2883	4.973	135	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	125.9530	0.000	1	122.2883	4.973	135	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	120.4090	0.000	1	122.2883	4.973	135	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2)(OC)(O)	121.5920	0.000	1	122.2883	4.973	135	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC[6])(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC[6])(O)	123.3480	2.163	4	123.3480	4.678	4	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(ON[5a])(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(ON[5a])(O)	119.6060	0.000	1	119.6060	0.000	1	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CHHO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CHHO){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	119.3035	0.873	2	119.3035	0.763	2	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CN[6]HH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CN[6]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	120.9685	0.107	2	120.9685	0.011	2	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(OC)(O)	124.7905	2.081	2	124.7905	4.331	2	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(OC)(O)	124.0450	1.666	2	124.0450	2.775	2	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CClHH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CClHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(OC)(O)	122.1210	0.000	1	122.1210	0.000	1	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>,1|S<1>}	C(C[6]C[6]2)(OC)(O)	125.7720	0.000	1	123.3917	4.457	61	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C(C[6]C[6]2)(OC)(O)	125.3660	0.000	1	123.3917	4.457	61	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(OC)(O)	124.3620	3.468	2	123.3917	4.457	61	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]2)(OC)(O)	121.3630	0.000	1	123.3917	4.457	61	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(OC)(O)	122.4097	1.793	30	123.3917	4.457	61	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]2)(OC)(O)	124.6103	1.912	23	123.3917	4.457	61	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(COO){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|N<3>}	C(C[6]C[6]2)(OC)(O)	122.4463	0.431	3	123.3917	4.457	61	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]2)(OC)(O)	124.6180	0.000	1	124.4047	2.303	4	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(OC)(O)	122.2100	0.000	1	124.4047	2.303	4	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]2)(OC)(O)	125.3955	0.291	2	124.4047	2.303	4	122.6595	4.855	262	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(COO)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(COO){1|H<1>,1|S<4>,3|C<3>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]C)(CH3){1|H<1>,2|O<1>,4|C<3>}	C(C[6]C[6]2)(OC)(O)	119.5620	0.000	1	119.5620	0.000	1	121.1185	4.845	2	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]C)(COO)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(CCCH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]C)(COO){4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(CCCH){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	122.6750	0.000	1	122.6750	0.000	1	121.1185	4.845	2	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6,6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]C)(COO)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]C)(COO){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2)(OC)(O)	120.9010	0.000	1	120.9010	0.000	1	120.9010	0.000	1	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[4,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,2|C<4>,3|C<3>}	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2)(OC)(O)	124.2375	3.570	2	124.2375	12.746	2	121.4991	3.527	44	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[4,6]HH)(C[6]N[6]C)(COO)	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[4,6]HH)(C[6]N[6]C)(COO){1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[4,6]H)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(OC)(O)	120.6440	1.325	2	120.6440	1.756	2	121.4991	3.527	44	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	126.2530	0.000	1	126.2530	0.000	1	121.4991	3.527	44	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	120.5530	0.000	1	120.5530	0.000	1	121.4991	3.527	44	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|H<1>,1|S<2>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	119.6380	0.000	1	119.6380	0.000	1	121.4991	3.527	44	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]C[5a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6]C[5a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	122.9517	2.697	3	122.9517	7.276	3	121.4991	3.527	44	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	120.2922	0.700	17	120.2922	0.489	17	121.4991	3.527	44	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(COO){1|C<4>,4|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	121.0480	0.000	1	121.0480	0.000	1	121.4991	3.527	44	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){2|H<1>,4|C<3>}	C(C[6]C[6]2)(OC)(O)	120.5580	0.000	1	121.5067	0.706	3	121.4991	3.527	44	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(COO){5|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6]2)(OC)(O)	121.9810	0.247	2	121.5067	0.706	3	121.4991	3.527	44	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C(C[6]C[6]2)(OC)(O)	123.9330	0.000	1	123.9330	0.000	1	121.4991	3.527	44	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CClHH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CClHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	121.8550	0.000	1	121.8550	0.000	1	121.4991	3.527	44	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CF3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CF3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	122.5570	0.000	1	122.5570	0.000	1	121.4991	3.527	44	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	120.8495	0.274	2	121.3227	0.591	6	121.4991	3.527	44	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,2|C<3>,2|N<2>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	120.9830	0.000	1	121.3227	0.591	6	121.4991	3.527	44	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	121.7513	0.940	3	121.3227	0.591	6	121.4991	3.527	44	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]N[6,6]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[6,6]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	122.3250	0.198	2	122.3250	0.039	2	121.4991	3.527	44	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]N[6,6a]C[6a]H)(C[6]N[6]C)(COO)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[6,6a]C[6a]H)(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2)(OC)(O)	126.4830	0.000	1	126.4830	0.000	1	121.4991	3.527	44	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[6]CH)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	122.9480	0.000	1	122.9480	0.000	1	121.4991	3.527	44	122.4859	4.842	315	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CC[6a]H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CCHH)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	128.8630	0.000	1	128.8630	0.000	1	128.8630	0.000	1	123.4831	8.518	16	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[5]-3:C[6]-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C(C[5]C[5]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]2)(C[6]C[6]2)(H)	119.0060	0.000	1	119.0060	0.000	1	119.0060	0.000	1	123.4831	8.518	16	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){2|H<1>,3|C<4>}	C(C[6]C[6]2)(CC[6a]H)(H)	120.5240	0.000	1	120.5240	0.000	1	120.5240	0.000	1	123.4831	8.518	16	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]ZrO)(C[6]C[6]C)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3)	C(C[6]C[6]2)(NC[6a]H)(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]C)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3){1|Zr<16>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(NC[6a]H)(H)	124.1005	0.039	2	124.1005	0.002	2	124.1005	0.002	2	123.4831	8.518	16	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]O[6]CO)(C[6]C[6]C)(CC[6a]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(CF3)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]O[6]CO)(C[6]C[6]C)(CC[6a]O){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CF3){1|C<3>,1|C<4>,2|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	125.9550	0.000	1	125.9550	0.000	1	125.9550	0.000	1	123.4831	8.518	16	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CNO){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(NC[6a]H)(O)	123.9720	5.388	2	123.9720	29.032	2	124.0846	5.415	7	123.4831	8.518	16	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(NCC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]2)(NCC)(O)	122.6340	0.000	1	122.6340	0.000	1	124.0846	5.415	7	123.4831	8.518	16	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(NCH)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CNO){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]2)(NCH)(O)	124.5035	0.457	4	124.5035	0.209	4	124.0846	5.415	7	123.4831	8.518	16	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CC[6a]O)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CC[6a]O){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	122.7440	2.799	2	122.7440	7.833	2	122.7440	7.833	2	123.4831	8.518	16	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(CNO)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(NC[6a]H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(CNO){1|C<4>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	119.1010	0.000	1	119.1010	0.000	1	119.1010	0.000	1	123.4831	8.518	16	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(CC[6a]2)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(CC[6a]2){3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(CCCH){2|C<2>,4|C<3>}	C(C[6a]C[6a]2)2(C[6]C[6]2)	125.9440	0.000	1	125.9440	0.000	1	125.9440	0.000	1	125.9440	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]HS)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]CH)	C(C[6]C[6]2)(CC[6a]CC)(H)	C[6](C[6]C[6]HS)(C[6]C[6]C)(CCH){1|C<4>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]CH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]2)(CC[6a]CC)(H)	125.9530	0.000	1	125.9530	0.000	1	125.9530	0.000	1	124.4143	5.017	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(CH3)(O)	123.5198	2.316	4	123.5545	4.599	6	124.4792	5.197	27	124.4143	5.017	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(CH3)(O)	123.6240	2.625	2	123.5545	4.599	6	124.4792	5.197	27	124.4143	5.017	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]C)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]HH)(C[6]N[6]C)(CCO){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(O)	122.8940	0.000	1	122.8940	0.000	1	124.4792	5.197	27	124.4143	5.017	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(CH3)(O)	123.7333	2.322	10	123.7333	5.393	10	124.4792	5.197	27	124.4143	5.017	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(CH3)(O)	123.3870	0.047	2	123.3870	0.002	2	124.4792	5.197	27	124.4143	5.017	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(CH3)(O)	127.2260	0.000	1	126.4520	1.990	7	124.4792	5.197	27	124.4143	5.017	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CCO){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	C(C[6]C[6]2)(CH3)(O)	126.3230	1.499	6	126.4520	1.990	7	124.4792	5.197	27	124.4143	5.017	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]N[6]CH)(C[6]N[6]C)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]N[6]CH)(C[6]N[6]C)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2)(CH3)(O)	127.4470	0.000	1	127.4470	0.000	1	124.4792	5.197	27	124.4143	5.017	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(CCO)	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]2)(CH3)(O)	120.8280	0.000	1	120.8280	0.000	1	123.3167	4.645	3	124.4143	5.017	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]C)(CCO)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]HH)(C[6]N[6]C)(CCO){1|C<4>,3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(O)	124.5610	0.027	2	124.5610	0.001	2	123.3167	4.645	3	124.4143	5.017	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:3:4:	3:4:4:	C[6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]C)(CCC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(CH3)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]C)(CCC){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C(C[6]C[6]2)(CH3)2	125.3820	0.000	1	125.3820	0.000	1	125.3820	0.000	1	125.3820	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:1:	3:1:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:H-1:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CHO)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)	C(C[6]C[5,6]C[6])(H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CHO){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6])(H)(O)	117.0860	0.000	1	117.0860	0.000	1	117.0860	0.000	1	118.5215	4.121	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:1:	3:1:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:Cl-1:	C[6]-3:H-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Cl)(CHO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(Cl)	C(C[6]C[6,6]C[6])(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Cl)(CHO){4|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(Cl){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(H)(O)	119.9570	0.000	1	119.9570	0.000	1	119.9570	0.000	1	118.5215	4.121	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(COO){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	119.3180	0.000	1	119.3180	0.000	1	120.4487	0.996	3	118.4952	5.375	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(COO){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	121.0140	0.272	2	121.0140	0.074	2	120.4487	0.996	3	118.4952	5.375	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:1:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(COO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(OC)(O)	115.4010	0.000	1	115.4010	0.000	1	115.4010	0.000	1	118.4952	5.375	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:1:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:O-1:	C[6]-3:O-2:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CHO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O)	C(C[6]C[6,6]C[6])(OH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CHO){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(OH)(H)	117.1120	0.182	2	117.1120	0.033	2	117.1120	0.033	2	118.4952	5.375	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C-3:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C(C[6]C[6,6]C[6])(CHH)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(CCH){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(CHH)(H)	118.7080	0.000	1	118.7080	0.000	1	118.7080	0.000	1	120.2300	4.633	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6a]-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6,6]C)(C[6]O[6]HH)(H)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]O[6]HH)(H){1|H<1>,2|C<4>}	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	121.7520	0.000	1	121.7520	0.000	1	121.7520	0.000	1	120.2300	4.633	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:1:	3:4:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:O-1:	C[6]-3:C-4:H-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCH)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(O)	C(C[6]C[5,6]C[6])(CCHH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(CCHH)(H)	116.5155	0.275	2	116.5155	0.076	2	116.5155	0.076	2	116.5155	0.076	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:2:	3:1:1:	C[3,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:C-2:	C[6]-3:H-1:H-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(CHH)	C[6](C[6]C[3,6]C)(C[6]N[6]HH)(CN)	C(C[6]C[3,6]C[6])(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(CHH){1|N<3>,1|O<1>,5|H<1>}	C[6](C[6]C[3,6]C)(C[6]N[6]HH)(CN){1|C<4>,3|C<3>}	C(C[6]C[3,6]C[6])(H)2	121.6780	0.000	1	121.6780	0.000	1	121.6780	0.000	1	121.5375	0.039	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:2:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-4:O[6]-2:	C[6]-3:H-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CHO){1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6]){1|H<1>,3|C<3>}	C(C[6]C[6]2)(H)(O)	121.3970	0.000	1	121.3970	0.000	1	121.3970	0.000	1	121.5375	0.039	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:2:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:O-2:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OC)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(COO){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[5,6]C[6])(OC)(O)	121.1095	0.500	2	121.1095	0.250	2	121.1095	0.250	2	118.9324	2.061	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:2:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:O-2:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(OC)(O)	118.6920	0.472	3	118.6920	0.223	3	118.3104	0.676	7	118.9324	2.061	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:2:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:O-2:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH){2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(OC)(O)	116.7630	0.000	1	117.2775	0.529	2	118.3104	0.676	7	118.9324	2.061	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:2:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:O-2:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6])(OC)(O)	117.7920	0.000	1	117.2775	0.529	2	118.3104	0.676	7	118.9324	2.061	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:2:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:O-2:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OSi)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(OSi){1|C<3>,1|H<1>,1|N<3>,2|C<2>}	C(C[6]C[6,6]C[6])(OC)(O)	118.7710	0.290	2	118.7710	0.084	2	118.3104	0.676	7	118.9324	2.061	9	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:2:	3:3:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:O-2:	C[6]-3:N-3:O-1:	C[6](C[5,6]C[6]S[5]2)(C[6]C[6]O)(CNO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OH)	C(C[6]C[5,6]C[6])(NC[6a]H)(O)	C[6](C[5,6]C[6]S[5]2)(C[6]C[6]O)(CNO){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	C(C[6]C[5,6]C[6])(NC[6a]H)(O)	116.5190	0.000	1	116.5190	0.000	1	116.5190	0.000	1	116.5190	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:2:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-4:O[6]-2:	C[6a]-3:C[6]-3:C-3:	C[6](C[6]C[6]HH)(C[6]O[6]C)(CC[6a]C)	C[6](C[6]C[6]C)(CC[6a]2O)(O[6]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(CCH)	C[6](C[6]C[6]HH)(C[6]O[6]C)(CC[6a]C){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(CC[6a]2O)(O[6]C[6]){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CCH)	120.2710	0.000	1	120.2710	0.000	1	120.2710	0.000	1	120.2710	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:2:	3:4:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:O-2:	C[6]-3:C-4:O-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OH)	C(C[6]C[5,6]C[6])(CCHH)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCO){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(OH){2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(CCHH)(O)	117.4105	0.047	2	117.4105	0.002	2	117.4105	0.002	2	117.4105	0.002	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:3:	3:1:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:C-3:	C[6]-3:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHH)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CC[6a]H)	C(C[6]C[6,6]C[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CHH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CC[6a]H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6]C[6])(H)2	119.7580	0.000	1	119.7580	0.000	1	119.7580	0.000	1	119.7580	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:3:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:C-3:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(COO)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(COO){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(COO){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	123.0210	0.000	1	123.0210	0.000	1	123.0210	0.000	1	122.1273	0.382	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:3:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:C-3:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6])(OC)(O)	121.7070	0.000	1	121.8293	0.040	3	121.8293	0.040	3	122.1273	0.382	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:3:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:C-3:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6,6]C[6])(OC)(O)	121.8905	0.241	2	121.8293	0.040	3	121.8293	0.040	3	122.1273	0.382	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:3:	3:3:1:	C[5,6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:C-3:	C[5a]-3:C[6]-3:H-1:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CC[5a]H)	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(CHH)	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6,6]C[6])(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]C)(CC[5a]H){1|O<2>,5|C<4>,5|H<1>}	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(CHH){2|H<1>,3|C<4>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6,6]C[6])(H)	122.9320	0.000	1	122.9320	0.000	1	122.9320	0.000	1	122.2660	0.887	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:3:	3:3:1:	C[5,6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:C-3:	C[6]-3:C-3:O-1:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]C)(CCO)	C[6](C[6]C[5,6,6]C)(C[6]C[5,6]HO)(CCH)	C(C[6]C[5,6,6]C[6])(CCC)(O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]C)(CCO){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6,6]C)(C[6]C[5,6]HO)(CCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[5,6,6]C[6])(CCC)(O)	121.6000	0.000	1	121.6000	0.000	1	121.6000	0.000	1	122.2660	0.887	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:3:	3:4:4:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:C-4:C-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(CCC)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(C[6]C[6]2)	C(C[6]C[5,6]C[6])(CH3)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(CCC){1|N<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(C[6]C[6]2){4|C<4>,7|H<1>}	C(C[6]C[5,6]C[6])(CH3)2	124.0790	0.000	1	124.0790	0.000	1	124.0790	0.000	1	124.0790	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	3:4:4:	3:4:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:C-4:	C[6]-3:C-4:O-1:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(CCO)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHH)	C(C[6]C[5,6]C[6])(CCHH)(O)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(CCO){1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCHH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(CCHH)(O)	121.8510	0.000	1	121.8510	0.000	1	121.8510	0.000	1	121.8510	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:1:1:	C[4,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]H)(CHO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H)	C(C[6]C[4,6]C[6])(H)(O)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]H)(CHO){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H){4|C<4>,4|H<1>}	C(C[6]C[4,6]C[6])(H)(O)	117.4770	0.000	1	117.4770	0.000	1	117.4770	0.000	1	118.8100	2.593	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:1:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(CHO)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)	C(C[6]C[5,6]C[6])(H)(O)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(CHO){4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H){1|H<1>,4|C<4>}	C(C[6]C[5,6]C[6])(H)(O)	119.5380	0.000	1	119.5380	0.000	1	119.0777	2.151	3	118.8100	2.593	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:1:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(CHO)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)	C(C[6]C[5,6]C[6])(H)(O)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(CHO){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H){2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(H)(O)	117.4360	0.000	1	117.4360	0.000	1	119.0777	2.151	3	118.8100	2.593	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:1:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CHO)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)	C(C[6]C[5,6]C[6])(H)(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CHO){2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(H)(O)	120.2590	0.000	1	120.2590	0.000	1	119.0777	2.151	3	118.8100	2.593	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(CHO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(CHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6]2)(H)(O)	117.1130	0.000	1	117.1130	0.000	1	117.1130	0.000	1	118.8100	2.593	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(CHH)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(O)	C(C[6]C[6]2)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(CHH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6]2)(H)2	118.0230	0.000	1	118.0230	0.000	1	118.0230	0.000	1	118.8100	2.593	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C(C[6]C[6]2)(H)(O)	119.6570	0.000	1	119.9110	0.095	3	119.9110	0.095	3	118.8100	2.593	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6]2)(H)(O)	119.8220	0.000	1	119.9110	0.095	3	119.9110	0.095	3	118.8100	2.593	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2)(H)(O)	120.2540	0.000	1	119.9110	0.095	3	119.9110	0.095	3	118.8100	2.593	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:Cl-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]Cl)(CHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(Cl)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]Cl)(CHO){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(Cl){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)(O)	122.8270	0.008	2	122.8270	0.000	2	122.8270	0.000	2	118.8100	2.593	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(CHO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(H)(O)	118.6523	0.974	4	118.6523	0.949	4	118.1698	0.701	13	118.8100	2.593	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CHO){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)(O)	118.3568	0.748	4	118.3568	0.560	4	118.1698	0.701	13	118.8100	2.593	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(CHO)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(CHO){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(H)(O)	118.3170	0.000	1	118.3170	0.000	1	118.1698	0.701	13	118.8100	2.593	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(CHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(CHO){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(H)(O)	117.8340	0.000	1	117.8340	0.000	1	118.1698	0.701	13	118.8100	2.593	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(H)(O)	116.9310	0.000	1	116.9310	0.000	1	118.1698	0.701	13	118.8100	2.593	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2)(H)(O)	117.1180	0.000	1	117.1180	0.000	1	118.1698	0.701	13	118.8100	2.593	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(H)(O)	117.9710	0.000	1	117.9710	0.000	1	118.1698	0.701	13	118.8100	2.593	24	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[4,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:S-2:O-1:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]H)(COS)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H)	C(C[6]C[4,6]C[6])(SC)(O)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]H)(COS){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[4,6]C[6])(SC)(O)	120.5570	0.228	2	120.5570	0.052	2	120.5570	0.052	2	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(COO)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]C)(H)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(COO){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]C)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(OC)(O)	121.8690	0.000	1	121.8690	0.000	1	120.4485	4.036	2	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5,6]H)(COO)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C)(H)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5,6]H)(COO){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[5,6]C[6])(OC)(O)	119.0280	0.000	1	119.0280	0.000	1	120.4485	4.036	2	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(COO){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H){1|C<4>,2|H<1>,2|N<3>}	C(C[6]C[5,6]C[6])(OC)(O)	118.0260	0.000	1	118.0260	0.000	1	120.5215	3.160	4	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]C)(H)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(COO){1|O<2>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[5,6]C)(H){1|H<1>,4|C<4>}	C(C[6]C[5,6]C[6])(OC)(O)	121.8830	0.000	1	121.8830	0.000	1	120.5215	3.160	4	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C)(H)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	121.7030	0.000	1	121.7030	0.000	1	120.5215	3.160	4	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]C[6a]O)(C[6]C[5,6]C)(H)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5,6]C[6a]O)(C[6]C[5,6]C)(H){1|C<4>,6|C<3>}	C(C[6]C[5,6]C[6])(OC)(O)	120.4740	0.000	1	120.4740	0.000	1	120.5215	3.160	4	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[3,6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(COO)	C[6](C[3,6]C[3,5,6]N[3,5]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(COO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[3,6]C[3,5,6]N[3,5]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	120.2130	0.000	1	120.2130	0.000	1	120.5390	0.213	2	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[3,6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(COO)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(COO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	120.8650	0.000	1	120.8650	0.000	1	120.5390	0.213	2	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(COO)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(COO){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	120.8640	0.000	2	120.8640	0.000	2	120.8640	0.000	2	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(NN)(H)	118.8705	0.368	2	118.8705	0.136	2	119.4523	1.083	3	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]N[6]CH)(C[6]C[6]H)(CHN)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NS)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(NS)(H)	120.6160	0.000	1	120.6160	0.000	1	119.4523	1.083	3	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	121.5952	0.986	5	121.5952	0.972	5	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(COO){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6]2)(OC)(O)	118.3180	0.000	1	118.3180	0.000	1	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	119.4450	3.195	2	119.4450	10.206	2	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(COO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	122.9710	0.000	1	122.9710	0.000	1	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	122.9660	0.000	1	122.9660	0.000	1	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a,6]HN)(C[6]C[6]H)(COO)	C[6](C[6]N[5a,6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a,6]HN)(C[6]C[6]H)(COO){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5a,6]HH)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	122.4210	0.000	1	122.4210	0.000	1	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	121.0505	0.754	2	121.0505	0.569	2	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	123.4950	0.000	1	123.4950	0.000	1	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(COO){2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2)(OH)(O)	118.0050	0.000	1	118.0050	0.000	1	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|C<4>,2|C<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	118.3000	0.000	1	118.3000	0.000	1	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|C<4>,2|C<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	118.9510	0.000	1	118.9510	0.000	1	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2)(OH)(O)	119.8550	2.399	2	119.8550	5.753	2	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<2>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	122.3630	0.000	1	122.7860	0.294	3	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<3>,2|C<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	122.5980	0.000	1	122.7860	0.294	3	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<4>,2|C<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	123.3970	0.000	1	122.7860	0.294	3	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]C)(H){1|Br<1>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	121.0010	0.000	1	121.0010	0.000	1	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	118.1465	1.534	4	118.9178	4.739	5	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(COO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	122.0030	0.000	1	118.9178	4.739	5	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(COO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	122.4180	0.000	1	122.4180	0.000	1	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	120.4344	1.896	5	120.1067	3.520	6	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(COO){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	118.4680	0.000	1	120.1067	3.520	6	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	117.8250	0.352	2	117.8250	0.124	2	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(COO){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<4>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	123.0720	0.000	1	123.0720	0.000	1	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]O[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]O[6]CH)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2)(OC)(O)	125.1100	0.000	1	125.1100	0.000	1	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]O[6]HO)(C[6]C[6]H)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]O[6]HO)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|O<2>}	C(C[6]C[6]2)(OC)(O)	120.1310	0.000	1	120.1310	0.000	1	120.6268	4.747	40	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:I-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HO)(C[6]C[6]I)(COO)	C[6](C[6]C[6]HO)(C[6]C[6]C)(I)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]HO)(C[6]C[6]I)(COO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(I){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	123.6650	0.000	1	123.6650	0.000	1	123.6650	0.000	1	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(COO){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	117.7165	0.333	2	117.7165	0.111	2	117.7165	0.111	2	120.5074	4.051	58	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[5,6,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[5,6]H)(CCH)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6,6]C)(H)	C(C[6]C[5,6,6]C[6])(COO)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[5,6]H)(CCH){2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6,6]C)(H){1|O<1>,2|O<2>,4|C<4>}	C(C[6]C[5,6,6]C[6])(COO)(H)	120.0415	0.787	2	120.0415	0.619	2	120.0415	0.619	2	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:O-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5a]H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O)	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5a]H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C(C[5a]C[5a]O[5a])(C[6]C[6]2)(H)	117.7290	0.000	1	117.7290	0.000	1	117.1405	0.693	2	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:O-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5a]H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[5a]H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(H)	116.5520	0.000	1	116.5520	0.000	1	117.1405	0.693	2	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CCH)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CCH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C(C[6]C[6]2)(CCH)(H)	119.0510	2.187	3	119.0510	4.783	3	119.0510	4.783	3	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H){2|O<2>,3|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	117.5040	0.370	3	117.5040	0.137	3	116.8187	0.570	10	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	116.5250	0.689	7	116.5250	0.474	7	116.8187	0.570	10	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(CCH)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(CCH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(CHH)(H)	121.2770	0.000	1	121.2770	0.000	1	120.7301	2.561	9	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CB[5,5]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CB[5,5]H)(H)	120.0510	0.000	1	120.0510	0.000	1	120.7301	2.561	9	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CHP)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CHP)(H)	119.6580	0.000	1	119.6580	0.000	1	120.7301	2.561	9	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CSnC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CSnC)(H)	122.2760	0.000	1	122.2760	0.000	1	120.7301	2.561	9	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[5]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2)(CC[5]H)(H)	119.6990	0.000	1	119.6990	0.000	1	120.7301	2.561	9	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2)(CC[6a]H)(H)	121.6125	3.502	2	121.6125	12.266	2	120.7301	2.561	9	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(CHH)(H)	119.5900	0.000	1	119.5900	0.000	1	120.7301	2.561	9	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6a]H)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCH){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,4|H<1>}	C(C[6]C[6]2)(CC[6a]H)(H)	120.7950	0.000	1	120.7950	0.000	1	120.7301	2.561	9	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC[6a]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(NC[6a]C)(O)	120.6025	0.334	2	120.6025	0.112	2	120.6025	0.112	2	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N-3:S-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NCC)(S)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(NCC)(S)	120.6430	0.000	1	120.6430	0.000	1	120.1985	0.395	2	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N-3:S-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(NC[6a]C)(S)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(NC[6a]C)(S)	119.7540	0.000	1	119.7540	0.000	1	120.1985	0.395	2	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	122.6205	0.134	2	122.6205	0.018	2	121.5151	3.318	10	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	119.7610	0.000	1	120.3543	0.264	3	121.5151	3.318	10	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	120.6510	0.000	2	120.3543	0.264	3	121.5151	3.318	10	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]CO)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]CO)(C[6]C[6]H)(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	117.9180	0.000	1	117.9180	0.000	1	121.5151	3.318	10	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	122.8110	0.000	1	122.8110	0.000	1	121.5151	3.318	10	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]S[6]HH)(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|S<2>,3|H<1>}	C[6](C[6]S[6]HH)(C[6]C[6]C)(H){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	121.2440	0.000	1	121.2440	0.000	1	121.5151	3.318	10	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	124.0500	0.000	1	124.0500	0.000	1	121.5151	3.318	10	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]O[6]HH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]O[6]HH)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|O<2>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	122.8240	0.000	1	122.8240	0.000	1	121.5151	3.318	10	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:I-1:	C[6]-3:C-3:O-1:	C[6](C[6]C[6]HO)(C[6]C[6]I)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(I)	C(C[6]C[6]2)(CCH)(O)	C[6](C[6]C[6]HO)(C[6]C[6]I)(CCO){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(I){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CCH)(O)	124.1020	0.000	1	124.1020	0.000	1	124.1020	0.000	1	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]2)(H)	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-3:Cl-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CClC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CNO)(Cl)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CClC){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CNO)(Cl)	122.1330	0.000	1	122.1330	0.000	1	122.1330	0.000	1	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(CC[6a]H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	118.1410	0.000	1	118.1410	0.000	1	117.9481	9.422	12	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	115.6350	0.000	1	115.6350	0.000	1	117.9481	9.422	12	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(CC[6a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,2|C<4>,2|O<2>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	124.2300	0.298	2	124.2300	0.089	2	117.9481	9.422	12	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	116.3380	0.000	1	116.8780	0.583	2	117.9481	9.422	12	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	117.4180	0.000	1	116.8780	0.583	2	117.9481	9.422	12	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(O){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	115.9150	0.000	1	115.9150	0.000	1	117.9481	9.422	12	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]OO)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[6]OO)(C[6]C[6]O)(CC[6a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	117.5300	0.000	1	117.5300	0.000	1	117.9481	9.422	12	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	117.4330	0.000	1	117.4330	0.000	1	117.9481	9.422	12	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	116.7880	0.059	2	116.7880	0.004	2	117.9481	9.422	12	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]O[6]CC)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]O[6]CC)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,4|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	114.9310	0.000	1	114.9310	0.000	1	117.9481	9.422	12	119.2955	6.952	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:2:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-3:C-2:	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CHH)(CC)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCC){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(CHH)(CC)	121.8640	0.000	1	121.8640	0.000	1	121.8640	0.000	1	121.8640	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-3:C-3:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCC)	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CCC)(CHH)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCC){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CCC)(CHH)	122.3640	0.000	1	122.3640	0.000	1	123.2688	0.277	5	123.4742	0.475	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-3:C-3:	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCC)	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CC[6]C)(CHH)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCC){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(H){1|N<3>,2|H<1>}	C(C[6]C[6]2)(CC[6]C)(CHH)	123.4950	0.168	4	123.4950	0.028	4	123.2688	0.277	5	123.4742	0.475	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6a]-3:N-3:C[6]-3:	C[6](C[6]C[6]RhH)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]RhH)(C[6]C[6]C)(H)	C(C[6a]C[6a]2)(NC[6a]B[5])(C[6]C[6]2)	C[6](C[6]C[6]RhH)(C[6]C[6]H)(CC[6a]N){1|C<4>,2|H<1>}	C[6](C[6]C[6]RhH)(C[6]C[6]C)(H){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]B[5])(C[6]C[6]2)	124.5010	0.000	1	124.5010	0.000	1	124.5010	0.000	1	123.4742	0.475	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[4,6]-4:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[4,6]H)(CCO)	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[5,6]HH)(C[6]C[4,6]H)(CCO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(O)	120.9340	0.000	1	120.9340	0.000	1	120.9340	0.000	1	118.8900	3.420	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CCO)	C[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(CCO){2|H<1>,3|C<4>}	C[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]C)(H){2|C<4>,2|N<3>,4|H<1>}	C(C[6]C[6]2)(CH3)(O)	118.6180	0.000	1	118.6180	0.000	1	118.6180	0.000	1	118.8900	3.420	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CHHO)(O)	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]H)(CCO){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CHHO)(O)	117.8320	0.000	1	117.8320	0.000	1	119.6285	6.455	2	118.8900	3.420	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCO)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CH3)(O)	121.4250	0.000	1	121.4250	0.000	1	119.6285	6.455	2	118.8900	3.420	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,3|H<1>}	C(C[6]C[6]2)(CCHH)(H)	117.3750	0.000	1	117.3750	0.000	1	117.2655	0.024	2	118.8900	3.420	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-4:H-1:	C[6](C[6]C[6]SiH)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]O)(CCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|Si<4>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CH3)(H)	117.1560	0.000	1	117.1560	0.000	1	117.2655	0.024	2	118.8900	3.420	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:4:2:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:C-4:O-2:	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[5,6]O)(CCO)	C[6](C[5,6]C[5,6,6]C[5,6]C)(C[6]C[5,6]C)(O)	C(C[6]C[5,6]C[6])(CCHH)(OH)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[5,6]O)(CCO){1|C<3>,1|O<2>,6|C<4>}	C[6](C[5,6]C[5,6,6]C[5,6]C)(C[6]C[5,6]C)(O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6]C[5,6]C[6])(CCHH)(OH)	119.2700	0.000	1	119.2700	0.000	1	119.2700	0.000	1	121.0110	1.802	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:4:2:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:P-4:C-2:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCP)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(PC[6a]2O)(CC)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCP){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(PC[6a]2O)(CC)	121.5913	0.826	3	121.5913	0.682	3	121.5913	0.682	3	121.0110	1.802	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:4:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-4:C-3:	C[6](C[6]C[3,6]CH)(C[6]C[6]H)(CCC)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]2)(CH3)(CCH)	C[6](C[6]C[3,6]CH)(C[6]C[6]H)(CCC){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H){1|H<1>,4|C<4>}	C(C[6]C[6]2)(CH3)(CCH)	121.0530	0.000	1	121.0530	0.000	1	121.0530	0.000	1	122.3405	3.315	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:4:3:	P[6]-4:C[6]-3:C-3:	B[6]-4:C[6]-3:H-1:	C[6]-3:C-4:C-3:	C[6](P[6]C[6a]2C[6])(C[6]B[6]H)(CCC)	C[6](B[6]C[6a]2C[6])(C[6]P[6]C)(H)	C(C[6]C[6]P[6])(CH3)(CHH)	C[6](P[6]C[6a]2C[6])(C[6]B[6]H)(CCC){1|H<1>,2|C<4>,6|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]C)(H){1|C<4>,2|H<1>,6|C<3>}	C(C[6]C[6]P[6])(CH3)(CHH)	123.6280	0.000	1	123.6280	0.000	1	123.6280	0.000	1	122.3405	3.315	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:4:4:	C[3,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-4:C-4:	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]O)(CCC)	C[6](C[6]C[5,6]HH)(C[6]C[3,6]C)(O)	C(C[6]C[3,6]C[6])(CH3)2	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]O)(CCC){3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[3,6]C)(O){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[3,6]C[6])(CH3)2	123.2210	0.000	1	123.2210	0.000	1	123.2210	0.000	1	122.2373	0.818	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:4:4:	C[6,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCC)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(O)	C(C[6]C[6,6]C[6])(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCC){1|C<4>,1|N<3>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(O){1|H<1>,4|C<4>}	C(C[6]C[6,6]C[6])(CH3)2	122.0490	0.000	1	122.0490	0.000	1	122.0490	0.000	1	122.2373	0.818	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	3:4:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C-4:C-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCC)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C(C[6]C[6]2)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCC){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){2|H<1>,3|C<4>}	C(C[6]C[6]2)(CH3)2	121.4420	0.000	1	121.4420	0.000	1	121.4420	0.000	1	122.2373	0.818	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[3]-4:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[3]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[3]C[3]N[3]H)(C[6]C[6]2)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[3]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C(C[3]C[3]N[3]H)(C[6]C[6]2)(O)	121.8170	0.000	1	121.8170	0.000	1	121.8170	0.000	1	121.8170	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:1:	4:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	P[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]HN)(C[6]C[6]H)(CP[6]C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(P[6]O[6]2O)(C[6]C[6]2)(CC[6a]H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(CP[6]C){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<2>,3|H<1>}	C(P[6]O[6]2O)(C[6]C[6]2)(CC[6a]H)	123.4470	0.000	1	123.4470	0.000	1	123.4470	0.000	1	123.4470	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:H-1:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHO)	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(CHO){5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]2)(H)(O)	118.6250	0.047	2	118.6250	0.002	2	118.6250	0.002	2	118.6250	0.002	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(OH)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(COO){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(OH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(OC)(O)	120.1070	0.000	1	120.1070	0.000	1	119.4050	0.986	2	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[5,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(OH)	C(C[6]C[5,6]C[6])(OC)(O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(COO){3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(OH){1|N<4>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6])(OC)(O)	118.7030	0.000	1	118.7030	0.000	1	119.4050	0.986	2	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH){1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(OC)(O)	118.1530	0.000	1	118.5907	0.181	3	118.7728	0.176	5	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(OC)(O)	118.8095	0.272	2	118.5907	0.181	3	118.7728	0.176	5	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH){1|C<3>,2|H<1>,2|N<3>}	C(C[6]C[6,6]C[6])(OC)(O)	119.0460	0.307	2	119.0460	0.094	2	118.7728	0.176	5	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(COO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(COO){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OH){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2)(OC)(O)	119.6300	0.000	1	119.6300	0.000	1	119.6300	0.000	1	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(COO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(COO){2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH){2|C<4>,6|H<1>}	C(C[6]C[6]2)(OC)(O)	118.9110	0.016	2	118.9110	0.000	2	118.9110	0.000	2	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	119.7340	0.000	1	119.7340	0.000	1	119.0742	2.891	46	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	118.6720	0.000	1	118.6720	0.000	1	119.0742	2.891	46	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OP)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OP){2|C<4>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	120.6090	0.000	1	120.6090	0.000	1	119.0742	2.891	46	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]CO)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6]CO)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[6]C[6]2)(OC)(O)	117.7215	0.091	2	117.7215	0.008	2	119.0742	2.891	46	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(COO){5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	118.6120	0.000	1	118.6120	0.000	1	119.0742	2.891	46	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(COO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH){2|C<4>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	118.0630	0.000	1	118.0630	0.000	1	119.0742	2.891	46	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OP)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OP){2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	127.5160	0.000	1	127.5160	0.000	1	119.0742	2.891	46	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]N[6]H)(C[6]C[6]O)(COO){1|S<4>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	117.0185	0.100	2	117.0185	0.010	2	119.0742	2.891	46	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	117.9940	0.000	1	117.9940	0.000	1	119.0742	2.891	46	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	118.4990	0.078	2	118.6130	0.042	3	119.0742	2.891	46	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	118.8410	0.000	1	118.6130	0.042	3	119.0742	2.891	46	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	118.4239	0.191	10	118.4239	0.037	10	119.0742	2.891	46	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	123.9000	0.000	1	123.9000	0.000	1	119.0742	2.891	46	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,1|S<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	118.3560	0.000	1	118.9182	0.274	13	119.0742	2.891	46	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	118.9380	0.481	6	118.9182	0.274	13	119.0742	2.891	46	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	118.9922	0.597	6	118.9182	0.274	13	119.0742	2.891	46	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HS)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	120.2070	0.211	3	120.2070	0.045	3	119.0742	2.891	46	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(COO){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(OH){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6]2)(OC)(O)	119.2850	0.000	1	119.2850	0.000	1	119.0742	2.891	46	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(COO)	C[6](C[6]N[5,6]HH)(C[6]C[6]C)(OS)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[5,6]HH)(C[6]C[6]C)(OS){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	121.1570	0.000	1	121.1570	0.000	1	119.0742	2.891	46	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[6]CH)(C[6]C[6]O)(COO){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	118.6230	0.375	2	118.6230	0.140	2	119.0742	2.891	46	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]HH)(C[6]C[6]O)(COO)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(COO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(OH){1|C<3>,2|N<3>,4|H<1>}	C(C[6]C[6]2)(OC)(O)	118.5080	0.000	1	118.5080	0.000	1	119.0742	2.891	46	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O[6]-2:	C[6]-3:N-2:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O[6])(CHN)	C[6](C[6]C[6]2H)(C[6]C[6]C)(O[6]C[6])	C(C[6]C[6]2)(NN)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O[6])(CHN){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]2H)(C[6]C[6]C)(O[6]C[6]){2|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6]2)(NN)(H)	121.7820	0.000	1	121.7820	0.000	1	121.7820	0.000	1	119.1109	2.502	57	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:3:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:N-3:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH)	C(C[6]C[6,6]C[6])(NC[6a]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CNO){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(OH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6,6]C[6])(NC[6a]H)(O)	117.8100	0.000	1	117.8100	0.000	1	117.8100	0.000	1	120.9630	29.976	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:N-2:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(NC[6a])	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]H){1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(NC[6a]){1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	117.7940	0.000	1	117.7940	0.000	1	117.7940	0.000	1	120.9630	29.976	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CN[6]O)	C[6](C[6]O[6]HH)(C[6]C[6]C)(OSi)	C(C[6]C[6]2)(N[6]C[6]2)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CN[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(OSi){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(N[6]C[6]2)(O)	127.2850	0.000	1	127.2850	0.000	1	127.2850	0.000	1	120.9630	29.976	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:C-4:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(CCCH)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(CCO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(CCCH)(O)	118.7910	0.000	1	118.7910	0.000	1	117.6153	2.697	4	117.6153	2.697	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCO){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){2|H<1>,3|C<4>}	C(C[6]C[6]2)(CH3)(O)	118.3920	0.000	1	118.3920	0.000	1	117.6153	2.697	4	117.6153	2.697	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]CC)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(CCCH)(O)	C[6](C[6]C[6]CC)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){2|H<1>,3|C<4>}	C(C[6]C[6]2)(CCCH)(O)	115.1900	0.000	1	115.1900	0.000	1	117.6153	2.697	4	117.6153	2.697	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:C-4:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(CH3)(O)	118.0880	0.000	1	118.0880	0.000	1	117.6153	2.697	4	117.6153	2.697	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:4:2:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:C-4:O-2:	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OIr)	C(C[6]C[6]2)(CH3)(OIr)	C[6](C[6]C[6]2H)(C[6]C[6]O)(CCO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OIr){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CH3)(OIr)	120.8470	0.000	1	120.8470	0.000	1	122.4337	1.898	3	122.4337	1.898	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:2:	3:4:2:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:C-4:O-2:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OPd)	C(C[6]C[6]2)(CH3)(OPd)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OPd){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CH3)(OPd)	123.2270	0.143	2	123.2270	0.020	2	122.4337	1.898	3	122.4337	1.898	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(H)2	123.0717	0.868	9	123.0717	0.754	9	123.0613	0.638	15	123.2511	1.172	16	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]H)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)2	122.4340	0.000	1	122.4340	0.000	1	123.0613	0.638	15	123.2511	1.172	16	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]Si)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]Si){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)2	123.2390	0.000	1	123.2390	0.000	1	123.0613	0.638	15	123.2511	1.172	16	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CHH)	C(C[6]C[6]2)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CHH){1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]2)(H)2	122.0550	0.000	1	122.0550	0.000	1	123.0613	0.638	15	123.2511	1.172	16	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CBrC)	C(C[6]C[6]2)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]C)(CHH){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CBrC){1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]2)(H)2	124.2250	0.000	1	124.2250	0.000	1	123.0613	0.638	15	123.2511	1.172	16	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]2)	C(C[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CHH){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]2){1|N<3>,4|H<1>}	C(C[6]C[6]2)(H)2	122.9450	0.000	1	122.9450	0.000	1	123.0613	0.638	15	123.2511	1.172	16	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	C(C[6]C[6]2)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(CHH){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|N<3>,4|H<1>}	C(C[6]C[6]2)(H)2	123.3760	0.000	1	123.3760	0.000	1	123.0613	0.638	15	123.2511	1.172	16	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:H-1:I-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHI)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHI)	C(C[6]C[6]2)(H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHI){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHI){1|C<4>,4|H<1>}	C(C[6]C[6]2)(H)(I)	126.0980	0.000	1	126.0980	0.000	1	126.0980	0.000	1	123.2511	1.172	16	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:2:1:	As[6]-4:C[6]-3:C-3:	As[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](As[6]C[6]PtC)(C[6]As[6]C)(COO)	C[6](As[6]C[6]PtC)(C[6]As[6]C)(COO)	C(C[6]As[6]C[6])(OC)(O)	C[6](As[6]C[6]PtC)(C[6]As[6]C)(COO){1|Pt<4>,1|C<4>,2|C<3>}	C[6](As[6]C[6]PtC)(C[6]As[6]C)(COO){1|Pt<4>,1|C<4>,2|C<3>}	C(C[6]As[6]C[6])(OC)(O)	121.2624	1.547	8	121.2624	2.392	8	121.2624	2.392	8	121.6427	2.665	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]C)(COO)	C(C[6]C[6,6]C[6])(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO){2|Br<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]C)(COO){2|H<1>,3|C<4>}	C(C[6]C[6,6]C[6])(OC)(O)	122.3480	0.000	1	122.3480	0.000	1	122.3480	0.000	1	121.6427	2.665	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[5]-4:C[6]-3:N[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[5a]C[6]H)(C[6]C[5]N[6])(COO)	C[6](C[5]N[5]S[5]H)(C[6]C[6]C)(N[6]C[6]H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5a]C[6]H)(C[6]C[5]N[6])(COO){1|N<3>,2|H<1>,2|S<2>,3|C<3>}	C[6](C[5]N[5]S[5]H)(C[6]C[6]C)(N[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]2)(OC)(O)	120.6030	0.000	1	120.6030	0.000	1	120.6030	0.000	1	121.6427	2.665	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]C)(COO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]C)(COO){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(COO){2|Br<1>,2|C<4>,4|H<1>}	C(C[6]C[6]2)(OC)(O)	125.5540	0.000	1	125.5540	0.000	1	125.5540	0.000	1	121.6427	2.665	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	122.7510	1.156	4	122.7510	1.336	4	122.3539	2.747	25	121.6427	2.665	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCC)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(COO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCC){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	123.5005	1.685	2	123.5005	2.839	2	122.3539	2.747	25	121.6427	2.665	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	122.2055	0.186	2	122.2055	0.035	2	122.3539	2.747	25	121.6427	2.665	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	123.1175	1.331	4	123.1175	1.772	4	122.3539	2.747	25	121.6427	2.665	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]O)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]O){2|C<4>,3|H<1>}	C(C[6]C[6]2)(OC)(O)	122.0555	1.333	2	122.0555	1.777	2	122.3539	2.747	25	121.6427	2.665	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	120.9400	2.336	2	120.9400	5.458	2	122.3539	2.747	25	121.6427	2.665	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	123.5340	0.031	2	123.5340	0.001	2	122.3539	2.747	25	121.6427	2.665	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]O)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]O){1|C<4>,4|H<1>}	C(C[6]C[6]2)(OC)(O)	119.0390	0.000	1	119.0390	0.000	1	122.3539	2.747	25	121.6427	2.665	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	122.6887	1.989	4	122.6887	3.955	4	122.3539	2.747	25	121.6427	2.665	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO){2|H<1>,4|C<3>}	C(C[6]C[6]2)(OC)(O)	120.5540	2.029	2	120.5540	4.118	2	122.3539	2.747	25	121.6427	2.665	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(OC)(O)	120.0090	0.000	1	120.0090	0.000	1	120.5410	0.577	17	121.6427	2.665	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[5a]H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[5a]H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(OC)(O)	120.4320	0.000	1	120.4320	0.000	1	120.5410	0.577	17	121.6427	2.665	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(OC)(O)	119.8660	0.000	1	119.8660	0.000	1	120.5410	0.577	17	121.6427	2.665	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHN)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]N)(COO){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHN){2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	120.2490	0.000	1	120.2490	0.000	1	120.5410	0.577	17	121.6427	2.665	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2)(OC)(O)	118.6930	0.000	1	119.1045	0.339	2	120.5410	0.577	17	121.6427	2.665	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(OC)(O)	119.5160	0.000	1	119.1045	0.339	2	120.5410	0.577	17	121.6427	2.665	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	120.9686	0.478	10	120.9686	0.228	10	120.5410	0.577	17	121.6427	2.665	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(COO){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(OC)(O)	120.7460	0.000	1	120.7460	0.000	1	120.5410	0.577	17	121.6427	2.665	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	Si[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]Si[6]C)(COO)	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]HH)(C[6]Si[6]C)(COO){1|C<3>,2|C<4>,2|H<1>}	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]C)(COO){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]2)(OC)(O)	122.4110	0.000	1	122.4110	0.000	1	122.4110	0.000	1	121.6427	2.665	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:2:1:	Si[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]C)(COO)	C[6](C[6]C[6]HH)(C[6]Si[6]C)(COO)	C(C[6]Si[6]C[6])(OC)(O)	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]C)(COO){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]Si[6]C)(COO){1|C<3>,2|C<4>,2|H<1>}	C(C[6]Si[6]C[6])(OC)(O)	121.2920	0.000	1	121.2920	0.000	1	121.2920	0.000	1	121.6427	2.665	55	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	B[5]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]H)	C(B[5]O[5]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]H){1|C<4>,4|H<1>}	C(B[5]O[5]2)(C[6]C[6]2)(H)	120.3230	0.000	1	120.3230	0.000	1	123.7030	22.849	2	123.7698	4.911	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	B[5]-3:C[6]-3:H-1:	C[6](C[6]N[4,6]HH)(C[6]C[6]C)(CB[5]H)	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(CSnH)	C(B[5]N[5]2)(C[6]C[6]2)(H)	C[6](C[6]N[4,6]HH)(C[6]C[6]C)(CB[5]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(CSnH){1|C<4>,1|N<3>,3|H<1>}	C(B[5]N[5]2)(C[6]C[6]2)(H)	127.0830	0.000	1	127.0830	0.000	1	123.7030	22.849	2	123.7698	4.911	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-3:Br-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CBrC)	C[6](C[6]N[6,6]HH)(C[6]C[6]C)(CHH)	C(C[6]C[6]2)(COO)(Br)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CBrC){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]C)(CHH){2|C<4>,2|H<1>}	C(C[6]C[6]2)(COO)(Br)	125.1740	0.000	1	125.1740	0.000	1	125.1740	0.000	1	123.7698	4.911	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCH)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(CC[6]H)(H)	125.4887	0.343	4	125.4887	0.117	4	124.6272	0.850	21	123.7698	4.911	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCH)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCH){2|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6]H)(H)	123.9430	0.359	4	123.9430	0.129	4	124.6272	0.850	21	123.7698	4.911	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){2|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6]H)(H)	123.7673	0.595	4	123.7673	0.354	4	124.6272	0.850	21	123.7698	4.911	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	C(C[6]C[6]2)(CC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CC[6]H)(H)	124.9307	0.906	9	124.9307	0.820	9	124.6272	0.850	21	123.7698	4.911	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:N-3:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CNO)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CNO)	C(C[6]C[6]2)(NC[6a]C)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CNO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CNO){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2)(NC[6a]C)(O)	118.9740	0.376	2	118.9740	0.142	2	118.9740	0.142	2	123.7698	4.911	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[5]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	C(C[6]C[6]2)(N[5]C[5]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(H)	123.8880	0.000	1	123.8880	0.000	1	123.8880	0.000	1	123.7698	4.911	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]Si)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]Si){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	119.3850	0.000	1	119.3850	0.000	1	119.3850	0.000	1	123.7698	4.911	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	125.1110	0.000	1	125.1110	0.000	1	125.1110	0.000	1	123.7698	4.911	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	120.3895	0.207	2	120.3895	0.043	2	120.3895	0.043	2	123.7698	4.911	31	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:3:2:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6]-3:N-2:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]N)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]N){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a])	122.2980	0.000	1	122.2980	0.000	1	122.2980	0.000	1	122.2980	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[6])(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]C){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]C){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[6])(C[6]C[6]2)	122.2470	0.729	4	122.2470	0.531	4	122.2470	0.531	4	122.7286	1.558	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]2)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CHH)	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]2){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CHH){1|C<4>,1|S<4>,2|H<1>}	C(C[6a]C[6a]2)2(C[6]C[6]2)	124.6550	0.000	1	124.6550	0.000	1	124.6550	0.000	1	122.7286	1.558	5	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[5]-3:Si-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]Si)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]H)	C(C[6]C[6]2)(N[5]C[5]2)(SiC3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]Si){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(SiC3)	125.0340	0.000	1	125.0340	0.000	1	125.3155	0.158	2	125.3155	0.158	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[5]-3:Si-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]Si)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	C(C[6]C[6]2)(N[5]C[5]2)(SiC3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CN[5]Si){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(N[5]C[5]2)(SiC3)	125.5970	0.000	1	125.5970	0.000	1	125.3155	0.158	2	125.3155	0.158	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-4:H-1:	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]C)	C(C[6]C[6]2)(CC[6]HH)(H)	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]C){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CC[6]HH)(H)	121.9583	0.298	3	121.9583	0.089	3	121.9583	0.089	3	122.6277	2.603	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-4:I-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCI)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCI)	C(C[6]C[6]2)(CC3)(I)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCI){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(CCI){2|C<3>,2|H<1>}	C(C[6]C[6]2)(CC3)(I)	124.4740	1.356	2	124.4740	1.839	2	124.4740	1.839	2	122.6277	2.603	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C-4:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CCO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2)(CH3)(O)	120.9430	0.000	1	120.9430	0.000	1	120.9430	0.000	1	122.6277	2.603	6	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	3:4:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-4:C-3:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCC)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(COO)	C(C[6]C[6]2)(CC[6a]HH)(CC[6a]H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(COO){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2)(CC[6a]HH)(CC[6a]H)	123.4490	1.489	2	123.4490	2.218	2	123.4490	2.218	2	123.4490	2.218	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	4:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[5]-4:C[6]-3:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO)	C(C[5]C[5]2C)(C[6]C[6]2)(O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CC[5]O){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(COO){2|C<4>,3|H<1>}	C(C[5]C[5]2C)(C[6]C[6]2)(O)	118.1120	0.226	2	118.1120	0.051	2	118.1120	0.051	2	118.1120	0.051	2	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:3:	4:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]C)	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCH)	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6]C){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CC)(C[6]C[6]C)(CCH){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(C[6]C[6]2)(CH3)	122.3160	0.415	3	122.3160	0.172	3	122.3160	0.172	3	122.3160	0.172	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHO){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)(O)	121.0390	0.170	2	121.0390	0.029	2	121.2130	0.105	3	121.2130	0.105	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:1:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:H-1:O-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CHO){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(H)(O)	121.5610	0.000	1	121.5610	0.000	1	121.2130	0.105	3	121.2130	0.105	3	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(NO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CHN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(NO)(H)	117.4780	0.000	1	117.4780	0.000	1	117.4780	0.000	1	120.5675	6.073	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(COO){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(OC)(O)	119.7930	0.000	1	119.7930	0.000	1	121.5973	2.746	3	120.5675	6.073	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CC[6]HH)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){2|H<1>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CC[6]HH){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2)(OC)(O)	123.0510	0.000	1	123.0510	0.000	1	121.5973	2.746	3	120.5675	6.073	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(OH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2)(OH)(O)	121.9480	0.000	1	121.9480	0.000	1	121.5973	2.746	3	120.5675	6.073	4	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-3:Br-1:	C[6](C[6]O[6]CC)(C[6]C[6]C)(CBrC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(CC[6a]2)(Br)	C[6](C[6]O[6]CC)(C[6]C[6]C)(CBrC){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6]2)(CC[6a]2)(Br)	123.3340	0.000	1	123.3340	0.000	1	123.3340	0.000	1	121.8229	1.499	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CCH)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(CC[6a]2)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CCH){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(CC[6a]2)(H)	121.5790	0.000	1	121.5790	0.000	1	121.7285	1.438	16	121.8229	1.499	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]2)(CCH)(H)	121.9690	0.000	1	121.9690	0.000	1	121.7285	1.438	16	121.8229	1.499	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2)(CCH)(H)	121.8127	1.659	7	121.8127	2.752	7	121.7285	1.438	16	121.8229	1.499	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(CHH)(H)	120.6770	0.000	1	120.6770	0.000	1	121.7285	1.438	16	121.8229	1.499	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]2)(CCH)(H)	122.0890	0.000	1	122.0890	0.000	1	121.7285	1.438	16	121.8229	1.499	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6]2)(CHH)(H)	121.1670	0.788	2	121.1670	0.620	2	121.7285	1.438	16	121.8229	1.499	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO){1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2)(CCH)(H)	121.8630	0.000	1	122.5350	0.903	2	121.7285	1.438	16	121.8229	1.499	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO)	C(C[6]C[6]2)(CCH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CCH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]2)(CCH)(H)	123.2070	0.000	1	122.5350	0.903	2	121.7285	1.438	16	121.8229	1.499	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:3:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(CHH)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CCH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2)(CHH)(H)	121.2490	0.000	1	121.2490	0.000	1	121.7285	1.438	16	121.8229	1.499	17	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:3:2:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[5]-3:C[6]-3:O-2:	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO)	C(C[5]C[5]2)(C[6]C[6]2)(OC)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]O){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(CHHO){2|H<1>,3|C<4>}	C(C[5]C[5]2)(C[6]C[6]2)(OC)	120.1120	0.000	1	120.1120	0.000	1	120.1120	0.000	1	120.1120	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:3:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-3:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CC[6a]C)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3)	C(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]C)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CC[6a]C){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]C)	123.5280	0.000	1	123.5280	0.000	1	123.5280	0.000	1	123.5280	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:3:4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-3:C-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCC)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(CC[6a]H)(CHHO)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(CCC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(CH3){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2)(CC[6a]H)(CHHO)	123.3960	0.000	1	123.3960	0.000	1	123.3960	0.000	1	123.3960	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:4:1:	C[6]-4:C[6]-3:C-3:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]C)(CCO)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CC[6a]HH)	C(C[6]C[6]2)(CH3)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]C)(CCO){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CC[6a]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6]2)(CH3)(O)	121.5280	0.000	1	121.5280	0.000	1	121.5280	0.000	1	121.5280	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:4:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-3:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(CCC)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(CCHH)(CHH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(CCC){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>,1|S<4>}	C(C[6]C[6]2)(CCHH)(CHH)	122.4260	0.720	2	122.4260	0.518	2	122.3353	0.103	7	122.3353	0.103	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:4:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-3:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(CCC)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(CC[5a]HH)(CHH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(CCC){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>,1|S<4>}	C(C[6]C[6]2)(CC[5a]HH)(CHH)	122.1140	0.000	1	122.1140	0.000	1	122.3353	0.103	7	122.3353	0.103	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:4:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-3:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(CCC)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(CH3)(CCH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(CCC){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>,1|S<4>}	C(C[6]C[6]2)(CH3)(CCH)	122.2810	0.000	2	122.2810	0.000	2	122.3353	0.103	7	122.3353	0.103	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:4:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-3:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(CCC)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(CN[5]HH)(CHH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(CCC){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>,1|S<4>}	C(C[6]C[6]2)(CN[5]HH)(CHH)	122.3100	0.000	1	122.3100	0.000	1	122.3353	0.103	7	122.3353	0.103	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:3:4:	3:4:3:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-3:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(CCC)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3)	C(C[6]C[6]2)(CN[5a]HH)(CHH)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]C)(CCC){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>,1|S<4>}	C(C[6]C[6]2)(CN[5a]HH)(CHH)	122.5090	0.000	1	122.5090	0.000	1	122.3353	0.103	7	122.3353	0.103	7	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	4:3:3:	4:4:3:	3:2:1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(COO)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)	C(C[6]C[6]2)(OC)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(COO){1|C<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]HH)(C[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6]2)(OC)(O)	124.9120	0.000	1	124.9120	0.000	1	124.9120	0.000	1	124.9120	0.000	1	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	5:3:3:	3:3:1:	3:3:1:	C[6]-5:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]Dy2O)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(NDyN)(H)	C[6](C[6]C[6]Dy2O)(C[6]C[6]H)(CHN){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){2|Dy<15>,1|C<3>,1|H<1>,1|O<3>}	C(C[6]C[6]2)(NDyN)(H)	119.1140	0.754	2	119.1140	0.568	2	119.0730	0.393	8	119.0730	0.393	8	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	5:3:3:	3:3:1:	3:3:1:	C[6]-5:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]Ho2O)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(NHoN)(H)	C[6](C[6]C[6]Ho2O)(C[6]C[6]H)(CHN){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){2|Ho<15>,1|C<3>,1|H<1>,1|O<3>}	C(C[6]C[6]2)(NHoN)(H)	118.6285	0.548	2	118.6285	0.300	2	119.0730	0.393	8	119.0730	0.393	8	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	5:3:3:	3:3:1:	3:3:1:	C[6]-5:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]Tb2O)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(NTbN)(H)	C[6](C[6]C[6]Tb2O)(C[6]C[6]H)(CHN){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){2|Tb<15>,1|C<3>,1|H<1>,1|O<3>}	C(C[6]C[6]2)(NTbN)(H)	118.7715	0.223	2	118.7715	0.050	2	119.0730	0.393	8	119.0730	0.393	8	121.8709	9.709	12075	121.8931	9.738	12261
762	762	930	0:SP2_SP2_SP2	C[6]	C[6]	C	5:3:3:	3:3:1:	3:3:1:	C[6]-5:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]Tb2O)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)2(H)	C(C[6]C[6]2)(NTbO)(H)	C[6](C[6]C[6]Tb2O)(C[6]C[6]H)(CHN){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){2|Tb<14>,1|C<3>,1|H<1>,1|O<3>}	C(C[6]C[6]2)(NTbO)(H)	119.7780	0.506	2	119.7780	0.256	2	119.0730	0.393	8	119.0730	0.393	8	121.8709	9.709	12075	121.8931	9.738	12261