762	856	863	0:SP2_SP2_SP2	C[6,6]	N[3x6]	O	4:3:1:	4:4:3:	3:	C[3x6]-4:N[3x6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-3:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(O)	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O)	O(C[6,6]C[3x6]N[3x6])	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(O){2|C<4>,8|H<1>}	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O){2|H<1>,4|C<4>}	O(C[6,6]C[3x6]N[3x6])	120.5370	0.000	1	120.5370	0.000	1	120.5370	0.000	1	120.5370	0.000	1	120.5370	0.000	1	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	3:4:1:	3:3:3:	3:	N[6,6]-3:C[4,6,6]-4:O-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6]-3:	C[6,6](N[6,6]C[6,6]C[6a])(C[4,6,6]C[4,6]2C)(O)	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2)	O(C[6,6]C[4,6,6]N[6,6])	C[6,6](N[6,6]C[6,6]C[6a])(C[4,6,6]C[4,6]2C)(O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2){2|H<1>,3|C<3>,3|C<4>}	O(C[6,6]C[4,6,6]N[6,6])	121.0980	0.000	1	121.0980	0.000	1	121.0980	0.000	1	121.0980	0.000	1	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	3:4:1:	4:3:1:	3:	N[6,6]-3:C[3x6]-4:O-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](N[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(O)	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)	O(C[6,6]C[3x6]N[6,6])	C[6,6](N[6,6]C[5,3x6]H)(C[3x6]C[6,6]2H)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	O(C[6,6]C[3x6]N[6,6])	125.4900	0.000	1	125.4900	0.000	1	125.4900	0.000	1	125.4900	0.000	1	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	3:3:3:	3:	C[4,6,6]-4:N[6,6]-3:O-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6]-3:	C[6,6](C[4,6,6]C[4,6]2C[6a])(N[6,6]C[6,6]C[6a])(O)	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2)	O(C[6,6]C[4,6,6]N[6,6])	C[6,6](C[4,6,6]C[4,6]2C[6a])(N[6,6]C[6,6]C[6a])(O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2){2|H<1>,3|C<3>,3|C<4>}	O(C[6,6]C[4,6,6]N[6,6])	121.1650	0.000	1	121.1650	0.000	1	122.2776	0.273	7	121.7575	0.697	11	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	3:3:3:	3:	C[4,6,6]-4:N[6,6]-3:O-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6]-3:	C[6,6](C[4,6,6]C[4,6]O[4,6]C)(N[6,6]C[6,6]C[6a])(O)	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2)	O(C[6,6]C[4,6,6]N[6,6])	C[6,6](C[4,6,6]C[4,6]O[4,6]C)(N[6,6]C[6,6]C[6a])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	O(C[6,6]C[4,6,6]N[6,6])	122.3080	0.025	3	122.3080	0.001	3	122.2776	0.273	7	121.7575	0.697	11	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	3:3:3:	3:	C[4,6,6]-4:N[6,6]-3:O-1:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6]-3:	C[6,6](C[4,6,6]C[4,6]O[4,6]C[6a])(N[6,6]C[6,6]C[6a])(O)	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2)	O(C[6,6]C[4,6,6]N[6,6])	C[6,6](C[4,6,6]C[4,6]O[4,6]C[6a])(N[6,6]C[6,6]C[6a])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	O(C[6,6]C[4,6,6]N[6,6])	122.6180	0.157	3	122.6180	0.025	3	122.2776	0.273	7	121.7575	0.697	11	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	3:3:3:	3:	C[4,6,6]-4:N[6,6]-3:O-1:	C[6,6]-3:C[6,6]-3:N[5]-3:	C[6,6]-3:	C[6,6](C[4,6,6]C[4,6]2C)(N[6,6]C[6,6]N[5])(O)	N[6,6](C[6,6]C[4,6,6]O)2(N[5]C[5]2)	O(C[6,6]C[4,6,6]N[6,6])	C[6,6](C[4,6,6]C[4,6]2C)(N[6,6]C[6,6]N[5])(O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6,6](C[6,6]C[4,6,6]O)2(N[5]C[5]2){2|C<3>,2|O<1>,4|C<4>}	O(C[6,6]C[4,6,6]N[6,6])	120.8475	0.205	4	120.8475	0.042	4	120.8475	0.042	4	121.7575	0.697	11	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	3:3:4:	3:	C[4,3x6]-4:N[6,6]-3:O-1:	C[6,6]-3:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[4,3x6]C[4,6,6]2C[6,6a])(N[6,6]C[6,6]C)(O)	N[6,6](C[6,6]C[4,3x6]O)2(CCHH)	O(C[6,6]C[4,3x6]N[6,6])	C[6,6](C[4,3x6]C[4,6,6]2C[6,6a])(N[6,6]C[6,6]C)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[4,3x6]O)2(CCHH){2|C<3>,2|C<4>}	O(C[6,6]C[4,3x6]N[6,6])	120.8525	0.122	2	120.8525	0.015	2	120.8525	0.015	2	120.8525	0.015	2	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	3:4:4:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	C[6,6]-3:C[3x6]-4:C-4:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[3x6]C)(O)	N[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(CHHO)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[3x6]C)(O){1|C<3>,4|C<4>,4|H<1>}	N[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)(CHHO){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	O(C[6,6]C[5,3x6]N[6,6])	124.8380	0.000	1	124.8380	0.000	1	124.8380	0.000	1	124.8380	0.000	1	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:1:	3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O)	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H)	O(C[6,6]C[3x6]N[6,6])	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H){1|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[3x6]N[6,6])	124.4838	0.550	6	124.4838	0.303	6	124.6179	0.322	18	124.9868	0.516	37	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:1:	3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O)	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H)	O(C[6,6]C[3x6]N[6,6])	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H){2|C<4>,3|C<3>,3|H<1>}	O(C[6,6]C[3x6]N[6,6])	124.5920	0.453	2	124.5920	0.205	2	124.6179	0.322	18	124.9868	0.516	37	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:1:	3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[3x6]C[6,6]2C[6a])(N[6,6]C[3x6]H)(O)	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H)	O(C[6,6]C[3x6]N[6,6])	C[6,6](C[3x6]C[6,6]2C[6a])(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6,6]C[3x6]N[6,6])	124.7343	0.444	4	124.7343	0.197	4	124.6179	0.322	18	124.9868	0.516	37	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:1:	3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O)	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H)	O(C[6,6]C[3x6]N[6,6])	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H){1|C<3>,1|C<4>,4|H<1>}	O(C[6,6]C[3x6]N[6,6])	124.5130	0.501	2	124.5130	0.251	2	124.6179	0.322	18	124.9868	0.516	37	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:1:	3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O)	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H)	O(C[6,6]C[3x6]N[6,6])	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H){1|C<4>,3|C<3>,4|H<1>}	O(C[6,6]C[3x6]N[6,6])	125.4445	0.056	2	125.4445	0.003	2	124.6179	0.322	18	124.9868	0.516	37	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:1:	3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]H)(O)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(H)	O(C[6,6]C[3x6]N[6,6])	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]H)(O){1|C<3>,1|H<1>,2|C<4>}	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	O(C[6,6]C[3x6]N[6,6])	124.7230	0.000	1	124.7230	0.000	1	124.6179	0.322	18	124.9868	0.516	37	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:1:	3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]H)(O)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(H)	O(C[6,6]C[3x6]N[6,6])	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]H)(O){1|C<3>,1|S<2>,2|C<4>}	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	O(C[6,6]C[3x6]N[6,6])	123.4600	0.000	1	123.4600	0.000	1	124.6179	0.322	18	124.9868	0.516	37	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:1:	3:	C[3x6]-4:N[6,6]-3:O-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[4x6]H)(O)	N[6,6](C[4x6]C[6,6a]C[3x6]N[6,6])(C[6,6]C[3x6]O)(H)	O(C[6,6]C[3x6]N[6,6])	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[4x6]H)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6,6](C[4x6]C[6,6a]C[3x6]N[6,6])(C[6,6]C[3x6]O)(H){2|C<4>,3|C<3>,3|H<1>}	O(C[6,6]C[3x6]N[6,6])	125.6640	0.582	4	125.6640	0.339	4	125.6640	0.339	4	124.9868	0.516	37	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:1:	3:	C[4x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[4x6]C[3x6]2Cl)(N[6,6]C[3x6]H)(O)	N[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[4x6]O)(H)	O(C[6,6]C[4x6]N[6,6])	C[6,6](C[4x6]C[3x6]2Cl)(N[6,6]C[3x6]H)(O){1|Cl<1>,2|H<1>,4|C<4>}	N[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[4x6]O)(H){1|Cl<1>,2|C<4>,4|H<1>}	O(C[6,6]C[4x6]N[6,6])	125.5890	0.000	1	125.5890	0.000	1	125.5890	0.000	1	124.9868	0.516	37	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:1:	3:	C[4x6]-4:N[6,6]-3:O-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[4x6]C[6,6]N[3x6]C[6])(N[6,6]C[5,3x6]H)(O)	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[4x6]O)(H)	O(C[6,6]C[4x6]N[6,6])	C[6,6](C[4x6]C[6,6]N[3x6]C[6])(N[6,6]C[5,3x6]H)(O){4|H<1>,5|C<4>}	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[4x6]O)(H){1|N<3>,4|C<4>,5|H<1>}	O(C[6,6]C[4x6]N[6,6])	124.6940	0.000	2	124.6940	0.000	2	124.6940	0.000	2	124.9868	0.516	37	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:1:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,3x6]C[5,6,6]2Cl)(N[6,6]C[3x6]H)(O)	N[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[5,3x6]O)(H)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]C[5,6,6]2Cl)(N[6,6]C[3x6]H)(O){1|Cl<1>,2|H<1>,4|C<4>}	N[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[5,3x6]O)(H){1|Cl<1>,2|C<4>,4|H<1>}	O(C[6,6]C[5,3x6]N[6,6])	124.3400	0.000	1	124.3400	0.000	1	124.3400	0.000	1	124.9868	0.516	37	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:1:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O){1|C<3>,4|C<4>,4|H<1>}	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	O(C[6,6]C[5,3x6]N[6,6])	125.4142	0.666	4	125.5186	0.301	8	125.5186	0.301	8	124.9868	0.516	37	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:1:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O){1|C<3>,4|C<4>,4|H<1>}	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	O(C[6,6]C[5,3x6]N[6,6])	125.6020	0.000	1	125.5186	0.301	8	125.5186	0.301	8	124.9868	0.516	37	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:1:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O){1|C<3>,4|C<4>,4|H<1>}	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	O(C[6,6]C[5,3x6]N[6,6])	125.9690	0.000	2	125.5186	0.301	8	125.5186	0.301	8	124.9868	0.516	37	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:1:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	C[4x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6]H)(O){4|H<1>,5|C<4>}	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)(H){1|N<3>,4|C<4>,5|H<1>}	O(C[6,6]C[5,3x6]N[6,6])	124.9520	0.000	1	125.5186	0.301	8	125.5186	0.301	8	124.9868	0.516	37	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:1:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O)	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]N)(C[6,6]C[5,3x6]O)(H)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O){1|N<3>,2|H<1>,4|C<4>}	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]N)(C[6,6]C[5,3x6]O)(H){1|O<2>,2|H<1>,4|C<4>}	O(C[6,6]C[5,3x6]N[6,6])	123.8120	0.000	1	123.8120	0.000	1	125.0897	1.232	3	124.9868	0.516	37	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:1:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O)	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(C[6,6]C[5,3x6]O)(H)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O){1|O<2>,2|H<1>,4|C<4>}	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(C[6,6]C[5,3x6]O)(H){1|O<2>,2|H<1>,4|C<4>}	O(C[6,6]C[5,3x6]N[6,6])	125.6420	0.000	1	125.6420	0.000	1	125.0897	1.232	3	124.9868	0.516	37	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:1:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]H)(O)	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(H)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]H)(O){1|C<3>,4|C<4>,4|H<1>}	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	O(C[6,6]C[5,3x6]N[6,6])	125.8150	0.000	1	125.8150	0.000	1	125.0897	1.232	3	124.9868	0.516	37	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:3:	3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6]-3:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C[6a])(O)	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2)	O(C[6,6]C[3x6]N[6,6])	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C[6a])(O){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	O(C[6,6]C[3x6]N[6,6])	125.3435	0.059	2	125.3667	0.003	3	125.3667	0.003	3	125.3667	0.003	3	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:3:	3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[6,6]-3:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C[6a])(O)	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2)	O(C[6,6]C[3x6]N[6,6])	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C[6a])(O){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	O(C[6,6]C[3x6]N[6,6])	125.4130	0.000	1	125.3667	0.003	3	125.3667	0.003	3	125.3667	0.003	3	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[3x6]C[3x6]C[6,6]H)(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCHH)	O(C[6,6]C[3x6]N[6,6])	C[6,6](C[3x6]C[3x6]C[6,6]H)(N[6,6]C[3x6]C)(O){1|C<3>,2|C<4>,4|H<1>}	N[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCHH){1|H<1>,2|C<4>,3|C<3>}	O(C[6,6]C[3x6]N[6,6])	122.9520	0.000	1	122.9520	0.000	1	124.7987	1.774	10	124.7593	1.297	21	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(CH3)	O(C[6,6]C[3x6]N[6,6])	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(N[6,6]C[3x6]C)(O){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6,6]C[3x6]N[6,6])	125.3930	0.000	1	125.3930	0.000	1	124.7987	1.774	10	124.7593	1.297	21	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	O(C[6,6]C[3x6]N[6,6])	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O){1|N<3>,1|O<1>,5|C<3>}	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	O(C[6,6]C[3x6]N[6,6])	123.3405	0.351	2	123.3405	0.124	2	124.7987	1.774	10	124.7593	1.297	21	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	O(C[6,6]C[3x6]N[6,6])	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(N[6,6]C[3x6]C)(O){1|C<4>,3|C<3>,3|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O(C[6,6]C[3x6]N[6,6])	125.5700	0.000	1	125.5700	0.000	1	124.7987	1.774	10	124.7593	1.297	21	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	O(C[6,6]C[3x6]N[6,6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	O(C[6,6]C[3x6]N[6,6])	125.7590	0.000	1	125.6040	0.048	2	124.7987	1.774	10	124.7593	1.297	21	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	O(C[6,6]C[3x6]N[6,6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(O){1|C<3>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	O(C[6,6]C[3x6]N[6,6])	125.4490	0.000	1	125.6040	0.048	2	124.7987	1.774	10	124.7593	1.297	21	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(CC[6a]HH)	O(C[6,6]C[3x6]N[6,6])	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[6,6]C[3x6]N[6,6])	125.6870	0.000	1	125.6870	0.000	1	124.7987	1.774	10	124.7593	1.297	21	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[3x6]C[6,6]N[6,6]O)(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	O(C[6,6]C[3x6]N[6,6])	C[6,6](C[3x6]C[6,6]N[6,6]O)(N[6,6]C[3x6]C)(O){2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	O(C[6,6]C[3x6]N[6,6])	126.7800	0.000	1	126.7800	0.000	1	124.7987	1.774	10	124.7593	1.297	21	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(CH3)	O(C[6,6]C[3x6]N[6,6])	C[6,6](C[3x6]N[6,6]S[6,6]C)(N[6,6]C[3x6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	O(C[6,6]C[3x6]N[6,6])	123.7160	0.000	1	123.7160	0.000	1	124.7987	1.774	10	124.7593	1.297	21	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O){1|C<3>,1|H<1>,1|O<2>,1|S<2>,3|C<4>}	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	O(C[6,6]C[5,3x6]N[6,6])	124.0463	0.845	4	124.6584	1.207	7	124.6584	1.207	7	124.7593	1.297	21	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	O(C[6,6]C[5,3x6]N[6,6])	125.0980	0.000	1	124.6584	1.207	7	124.6584	1.207	7	124.7593	1.297	21	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	O(C[6,6]C[5,3x6]N[6,6])	126.4960	0.000	1	124.6584	1.207	7	124.6584	1.207	7	124.7593	1.297	21	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]N[5,6,6]S[6,6]C[5])(N[6,6]C[3x6]C)(O){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>}	N[6,6](C[3x6]C[6,6]S[6,6]C)(C[6,6]C[5,3x6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	O(C[6,6]C[5,3x6]N[6,6])	124.8300	0.000	1	124.6584	1.207	7	124.6584	1.207	7	124.7593	1.297	21	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	C[5,3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]C)(O)	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]C)(O){1|C<3>,4|C<4>,4|H<1>}	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	O(C[6,6]C[5,3x6]N[6,6])	125.2903	0.279	3	124.8372	0.873	4	124.8372	0.873	4	124.7593	1.297	21	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6,6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[5,3x6]-4:N[6,6]-3:O-1:	C[5,3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]C)(O)	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3)	O(C[6,6]C[5,3x6]N[6,6])	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[5,3x6]C)(O){3|H<1>,6|C<4>}	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3){1|N<3>,4|C<4>,5|H<1>}	O(C[6,6]C[5,3x6]N[6,6])	123.4780	0.000	1	124.8372	0.873	4	124.8372	0.873	4	124.7593	1.297	21	124.3250	2.416	77	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:2:1:	3:4:3:	3:	N[6,6]-3:O[6]-2:O-1:	C[3x6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[3x6]C[6])(O[6]Si[6])(O)	N[6,6](C[3x6]N[6,6]2)(C[6]C[6]HH)(C[6]O[6]O)	O(C[6]N[6,6]O[6])	C[6](N[6,6]C[3x6]C[6])(O[6]Si[6])(O){2|H<1>,2|N<3>,3|C<4>}	N[6,6](C[3x6]N[6,6]2)(C[6]C[6]HH)(C[6]O[6]O){1|Si<4>,2|H<1>,3|C<4>}	O(C[6]N[6,6]O[6])	121.5550	0.000	1	121.5550	0.000	1	121.5550	0.000	1	121.5550	0.000	1	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:2:1:	4:4:3:	3:	N[6,6]-3:O[6]-2:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]O)	O(C[6]N[6,6]O[6])	C[6](N[6,6]C[6,6]C[6])(O[6]C[6,6a])(O){2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]O){1|N<3>,3|C<3>,3|H<1>}	O(C[6]N[6,6]O[6])	125.0240	0.242	2	125.0240	0.058	2	125.1623	0.372	4	124.7384	1.177	5	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:2:1:	4:4:3:	3:	N[6,6]-3:O[6]-2:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	O(C[6]N[6,6]O[6])	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]N[6,6]O[6])	126.0010	0.000	1	125.3005	0.981	2	125.1623	0.372	4	124.7384	1.177	5	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:2:1:	4:4:3:	3:	N[6,6]-3:O[6]-2:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	O(C[6]N[6,6]O[6])	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O){4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){1|O<2>,2|C<4>,5|H<1>}	O(C[6]N[6,6]O[6])	124.6000	0.000	1	125.3005	0.981	2	125.1623	0.372	4	124.7384	1.177	5	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:2:1:	4:4:3:	3:	N[6,6]-3:O[6]-2:O-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]O[6]O)	O(C[6]N[6,6]O[6])	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]O[6]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6]N[6,6]O[6])	123.0430	0.000	1	123.0430	0.000	1	123.0430	0.000	1	124.7384	1.177	5	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Cu<5>,1|C<4>,1|H<1>,1|O<3>,2|C<3>}	O(C[6]N[6,6]C[6])	117.8940	0.000	1	117.2445	0.425	4	117.3960	0.433	5	117.3960	0.433	5	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Mn<6>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]N[6,6]C[6])	117.6350	0.000	1	117.2445	0.425	4	117.3960	0.433	5	117.3960	0.433	5	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ni<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]N[6,6]C[6])	116.7245	0.398	2	117.2445	0.425	4	117.3960	0.433	5	117.3960	0.433	5	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	3:3:3:	3:	N[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Zn<5>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]N[6,6]C[6])	118.0020	0.000	1	118.0020	0.000	1	117.3960	0.433	5	117.3960	0.433	5	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[5,6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[5,6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|Pt<4>,1|N<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[6,6])	121.3840	0.000	1	121.3840	0.000	1	120.0781	0.519	8	120.8175	2.159	11	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[6,6])	119.8477	0.359	3	119.8477	0.129	3	120.0781	0.519	8	120.8175	2.159	11	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6,6])	120.4995	0.121	2	120.4995	0.015	2	120.0781	0.519	8	120.8175	2.159	11	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]N[6]S[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>,3|H<1>}	N[6,6](C[6,6]N[6]S[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6,6])	119.3495	0.282	2	119.3495	0.080	2	120.0781	0.519	8	120.8175	2.159	11	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	3:3:4:	3:	N[5,6]-3:N[6,6]-3:O-1:	C[6]-3:N[6,6]-3:C[6]-4:	C[6]-3:	C[6](N[5,6]C[5,6]C[5])(N[6,6]N[6,6]C[6])(O)	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)	O(C[6]N[5,6]N[6,6])	C[6](N[5,6]C[5,6]C[5])(N[6,6]N[6,6]C[6])(O){1|C<3>,4|C<4>,5|H<1>}	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]N[5,6]N[6,6])	122.0100	0.000	1	122.2390	0.105	2	122.2390	0.105	2	120.8175	2.159	11	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	3:3:4:	3:	N[5,6]-3:N[6,6]-3:O-1:	C[6]-3:N[6,6]-3:C[6]-4:	C[6]-3:	C[6](N[5,6]C[5,6]C[5])(N[6,6]N[6,6]C[6])(O)	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)	O(C[6]N[5,6]N[6,6])	C[6](N[5,6]C[5,6]C[5])(N[6,6]N[6,6]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]N[5,6]N[6,6])	122.4680	0.000	1	122.2390	0.105	2	122.2390	0.105	2	120.8175	2.159	11	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	3:3:4:	3:	N[6,6]-3:N[6,6]-3:O-1:	N[6,6]-3:C[6]-3:C[6]-4:	C[6]-3:	C[6](N[6,6]N[6,6]C[6])2(O)	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH)	O(C[6]N[6,6]2)	C[6](N[6,6]N[6,6]C[6])2(O){1|P<4>,4|C<4>,4|H<1>}	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<2>,1|S<1>,2|C<4>,4|H<1>}	O(C[6]N[6,6]2)	123.8890	0.000	1	123.8890	0.000	1	123.8890	0.000	1	120.8175	2.159	11	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	3:4:3:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]O)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]O){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	O(C[6]C[6,6a]N[6,6])	124.2025	0.101	2	124.2025	0.010	2	124.2025	0.010	2	121.6784	2.053	10	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	3:4:3:	3:	N[6,6]-3:N[6]-3:O-1:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6,6a]C[6])(N[6]C[6]C)(O)	N[6,6](C[6,6,6a]C[6,6a]N[6,6a])(C[6]C[6]HH)(C[6]N[6]O)	O(C[6]N[6,6]N[6])	C[6](N[6,6]C[6,6,6a]C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<3>,1|S<1>,2|H<1>}	N[6,6](C[6,6,6a]C[6,6a]N[6,6a])(C[6]C[6]HH)(C[6]N[6]O){2|C<4>,2|H<1>,3|C<3>}	O(C[6]N[6,6]N[6])	119.9820	0.000	1	119.9820	0.000	1	119.9820	0.000	1	121.6784	2.053	10	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	3:4:3:	3:	N[6,6]-3:N[6]-3:O-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6]C)(O)	N[6,6](C[6,6]C[6]N[6])(B[6]C[6,6a]OO)(C[6]N[6]O)	O(C[6]N[6,6]N[6])	C[6](N[6,6]C[6,6]B[6])(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	N[6,6](C[6,6]C[6]N[6])(B[6]C[6,6a]OO)(C[6]N[6]O){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	O(C[6]N[6,6]N[6])	121.9620	0.000	1	121.9620	0.000	1	121.9620	0.000	1	121.6784	2.053	10	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	3:4:3:	3:	N[6,6]-3:N[6]-3:O-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	O(C[6]N[6,6]N[6])	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<2>,1|O<1>,3|C<4>,3|H<1>}	O(C[6]N[6,6]N[6])	120.8750	0.000	1	121.0725	0.113	6	121.0725	0.113	6	121.6784	2.053	10	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	3:4:3:	3:	N[6,6]-3:N[6]-3:O-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	O(C[6]N[6,6]N[6])	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|N<2>,1|O<1>,3|C<4>,3|H<1>}	O(C[6]N[6,6]N[6])	120.8985	0.153	2	121.0725	0.113	6	121.0725	0.113	6	121.6784	2.053	10	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	3:4:3:	3:	N[6,6]-3:N[6]-3:O-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	O(C[6]N[6,6]N[6])	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]N[6,6]N[6])	121.4405	0.370	2	121.0725	0.113	6	121.0725	0.113	6	121.6784	2.053	10	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	3:4:3:	3:	N[6,6]-3:N[6]-3:O-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	O(C[6]N[6,6]N[6])	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]N[6,6]N[6])	120.8820	0.000	1	121.0725	0.113	6	121.0725	0.113	6	121.6784	2.053	10	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]F)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]F)(O){2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	O(C[6]N[6,6]C[6])	124.0900	0.000	1	124.0900	0.000	1	122.7850	3.406	2	122.2973	2.416	3	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	4:3:3:	3:	N[6,6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	N[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]O)(C[6]N[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]O)(C[6]N[6]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6]N[6,6]C[6])	121.4800	0.000	1	121.4800	0.000	1	122.7850	3.406	2	122.2973	2.416	3	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	4:3:3:	3:	N[6,6]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6,6a]C)(O)	N[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]O)(C[6]N[6]O)	O(C[6]N[6,6]N[6])	C[6](N[6,6]C[6,6]C[6])(N[6]C[6,6a]C)(O){1|O<1>,2|C<4>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]O)(C[6]N[6]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6]N[6,6]N[6])	121.3220	0.000	1	121.3220	0.000	1	121.3220	0.000	1	122.2973	2.416	3	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6,6]C[6])(O)	N[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6,6]C[6])(O){2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6,6])	122.3055	0.144	2	122.3055	0.021	2	122.3055	0.021	2	121.5734	0.345	9	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){4|C<3>,4|H<1>}	O(C[6]C[6,6a]N[6,6])	121.1263	0.567	3	121.4183	0.249	6	121.3643	0.228	7	121.5734	0.345	9	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){4|C<3>,4|H<1>}	O(C[6]C[6,6a]N[6,6])	121.7103	0.208	3	121.4183	0.249	6	121.3643	0.228	7	121.5734	0.345	9	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6,6])	121.0400	0.000	1	121.0400	0.000	1	121.3643	0.228	7	121.5734	0.345	9	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	4:4:3:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6a]O[6]2)(C[6]C[5,6,6]HH)(C[6]C[6,6a]O)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[6a]O[6]2)(C[6]C[5,6,6]HH)(C[6]C[6,6a]O){1|H<1>,2|C<4>,4|C<3>}	O(C[6]C[6,6a]N[6,6])	121.3870	0.000	1	121.3870	0.000	1	121.3870	0.000	1	122.2467	2.090	12	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	4:4:3:	3:	N[6,6]-3:C[6]-3:O-1:	C[4x6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]O)(O)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]O)(O){1|C<3>,1|I<1>,2|H<1>,3|C<4>}	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	O(C[6]N[6,6]C[6])	124.2820	0.000	1	124.2820	0.000	1	124.6000	0.202	2	122.2467	2.090	12	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	4:4:3:	3:	N[6,6]-3:C[6]-3:O-1:	C[4x6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[4x6]C[6])(C[6]O[6]O)(O)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[4x6]C[6])(C[6]O[6]O)(O){2|H<1>,4|C<4>}	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	O(C[6]N[6,6]C[6])	124.9180	0.000	1	124.9180	0.000	1	124.6000	0.202	2	122.2467	2.090	12	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	4:4:3:	3:	N[6,6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O){3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	O(C[6]N[6,6]C[6])	121.5650	0.000	1	121.5650	0.000	1	122.1300	0.155	5	122.2467	2.090	12	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	4:4:3:	3:	N[6,6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,5|H<1>}	O(C[6]N[6,6]C[6])	122.6470	0.000	1	122.6470	0.000	1	122.1300	0.155	5	122.2467	2.090	12	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	4:4:3:	3:	N[6,6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O(C[6]N[6,6]C[6])	122.2860	0.000	1	122.2860	0.000	1	122.1300	0.155	5	122.2467	2.090	12	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	4:4:3:	3:	N[6,6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	N[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	O(C[6]N[6,6]C[6])	122.0760	0.068	2	122.0760	0.005	2	122.1300	0.155	5	122.2467	2.090	12	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	4:4:3:	3:	N[6,6]-3:C[6]-3:O-1:	C[6,6]-4:S[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]H)(O)	N[6,6](C[6,6]C[6,6a]C[6]P)(S[6]O[6]OO)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]H)(O){1|C<4>,1|O<2>,1|P<4>,2|C<3>,2|O<1>}	N[6,6](C[6,6]C[6,6a]C[6]P)(S[6]O[6]OO)(C[6]C[6]O){3|C<3>,3|H<1>}	O(C[6]N[6,6]C[6])	119.5250	0.000	1	119.5250	0.000	1	119.5250	0.000	1	122.2467	2.090	12	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	4:4:3:	3:	N[6,6]-3:N[6]-3:O-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[3x6]C[6])(N[6]S[6]H)(O)	N[6,6](C[3x6]N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	O(C[6]N[6,6]N[6])	C[6](N[6,6]C[3x6]C[6])(N[6]S[6]H)(O){1|N<3>,2|H<1>,2|O<1>,3|C<4>}	N[6,6](C[3x6]N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|S<4>,3|C<4>,7|H<1>}	O(C[6]N[6,6]N[6])	123.2300	0.000	1	123.2300	0.000	1	123.2300	0.000	1	122.2467	2.090	12	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	4:4:3:	3:	N[6,6]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(O)	N[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(C[6]N[6]O)	O(C[6]N[6,6]N[6])	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(O){1|C<4>,2|N<3>,5|H<1>}	N[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(C[6]N[6]O){3|C<4>,4|C<3>}	O(C[6]N[6,6]N[6])	120.8750	0.000	1	120.8750	0.000	1	121.4840	0.742	2	122.2467	2.090	12	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:1:	4:4:3:	3:	N[6,6]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(O)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]O)	O(C[6]N[6,6]N[6])	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(O){3|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	O(C[6]N[6,6]N[6])	122.0930	0.000	1	122.0930	0.000	1	121.4840	0.742	2	122.2467	2.090	12	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	3:3:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[5a,6,6]-3:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[5a,6,6]C[6,6a])(C[6]C[6]HH)(O)	N[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[5a,6,6]C[6,6a])(C[6]C[6]HH)(O){1|N<3>,2|H<1>,3|C<3>}	N[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[6]N[6,6]C[6])	123.1420	0.669	2	123.1420	0.447	2	123.1420	0.447	2	122.6400	0.980	3	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	3:3:3:	3:	N[6,6]-3:C[6]-4:O-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O){1|H<1>,2|C<3>,2|C<4>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	O(C[6]N[6,6]C[6])	121.6360	0.000	1	121.6360	0.000	1	121.6360	0.000	1	122.6400	0.980	3	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	3:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[5,6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]CH)(O)	N[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]CH)(O){1|C<3>,2|C<4>,4|H<1>}	N[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,3|H<1>,5|C<4>}	O(C[6]N[6,6]C[6])	121.1180	0.000	1	121.1180	0.000	1	121.1180	0.000	1	122.1301	1.357	12	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	3:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[6,6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O)	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,4|C<4>}	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O)(C[6]C[6]O){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	O(C[6]N[6,6]C[6])	120.4890	0.307	2	120.4890	0.094	2	120.4890	0.094	2	122.1301	1.357	12	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	3:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	O(C[6]N[6,6]C[6])	120.3370	0.000	1	120.3370	0.000	1	120.3370	0.000	1	122.1301	1.357	12	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	3:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	O(C[6]N[6,6]C[6])	122.8900	0.000	1	122.8900	0.000	1	122.8165	0.012	4	122.1301	1.357	12	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	3:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	O(C[6]N[6,6]C[6])	122.9140	0.000	1	122.9140	0.000	1	122.8165	0.012	4	122.1301	1.357	12	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	3:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6]HH)(O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6]HH)(O){1|O<2>,2|C<4>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	O(C[6]N[6,6]C[6])	122.7860	0.000	1	122.7310	0.006	2	122.8165	0.012	4	122.1301	1.357	12	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	3:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6]HH)(O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6]HH)(O){1|O<2>,2|C<4>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O(C[6]N[6,6]C[6])	122.6760	0.000	1	122.7310	0.006	2	122.8165	0.012	4	122.1301	1.357	12	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	3:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HN)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HN)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	O(C[6]N[6,6]C[6])	122.6370	0.231	2	122.6370	0.053	2	122.9655	0.165	4	122.1301	1.357	12	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	3:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	O(C[6]N[6,6]C[6])	123.2940	0.095	2	123.2940	0.009	2	122.9655	0.165	4	122.1301	1.357	12	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:3:3:	3:	N[6,6]-3:C[5,6]-4:O-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[5]H)(O)	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[5,6,6a]C[6a])(C[6]C[5,6]O)	O(C[6]C[5,6]N[6,6])	C[6](N[6,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[5]H)(O){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[5,6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	O(C[6]C[5,6]N[6,6])	123.0240	0.000	1	123.0240	0.000	1	123.2330	0.087	2	121.8815	1.840	11	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:3:3:	3:	N[6,6]-3:C[5,6]-4:O-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[5]H)(O)	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	O(C[6]C[5,6]N[6,6])	C[6](N[6,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	O(C[6]C[5,6]N[6,6])	123.4420	0.000	1	123.4420	0.000	1	123.2330	0.087	2	121.8815	1.840	11	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:3:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[3,6,6]-4:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[3,6,6]C[6,6a])(C[6]N[6]HH)(O)	N[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[3,6,6]C[6,6a])(C[6]N[6]HH)(O){1|O<2>,2|C<4>,3|C<3>}	N[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	O(C[6]N[6,6]C[6])	122.5910	0.263	3	122.5910	0.069	3	122.5910	0.069	3	121.8815	1.840	11	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:3:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[5,6,6]C[6,6a])(C[6]N[6]HH)(O)	N[6,6](C[5,6,6]C[5,6]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[5,6,6]C[6,6a])(C[6]N[6]HH)(O){1|N<3>,2|C<4>,3|C<3>}	N[6,6](C[5,6,6]C[5,6]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	O(C[6]N[6,6]C[6])	121.5780	0.000	1	121.5780	0.000	1	121.5780	0.000	1	121.8815	1.840	11	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:3:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(O)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]CH)(O){2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]N[6,6]C[6])	121.5210	0.000	1	121.5210	0.000	1	121.5210	0.000	1	121.8815	1.840	11	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:3:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	O(C[6]N[6,6]C[6])	119.5680	0.000	1	119.5680	0.000	1	120.8395	2.814	4	121.8815	1.840	11	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:3:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|H<1>}	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,3|H<1>,5|C<3>}	O(C[6]N[6,6]C[6])	120.2515	0.380	2	120.2515	0.144	2	120.8395	2.814	4	121.8815	1.840	11	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:3:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){2|H<1>,4|C<3>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O(C[6]N[6,6]C[6])	123.2870	0.000	1	123.2870	0.000	1	120.8395	2.814	4	121.8815	1.840	11	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:3:4:	3:	N[6,6]-3:C[5,6]-4:O-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	O(C[6]C[5,6]N[6,6])	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(O){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[5,6]N[6,6])	122.3375	0.064	2	122.3375	0.004	2	122.3375	0.004	2	121.7855	0.489	13	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:3:4:	3:	N[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	O(C[6]C[6,6]N[6,6])	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6]N[6,6])	121.5660	0.000	1	121.9668	0.475	5	121.6852	0.514	11	121.7855	0.489	13	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:3:4:	3:	N[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	O(C[6]C[6,6]N[6,6])	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,1|O<2>,4|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	O(C[6]C[6,6]N[6,6])	120.9570	0.000	1	121.9668	0.475	5	121.6852	0.514	11	121.7855	0.489	13	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:3:4:	3:	N[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	O(C[6]C[6,6]N[6,6])	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,4|C<4>,6|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	O(C[6]C[6,6]N[6,6])	122.5345	0.032	2	121.9668	0.475	5	121.6852	0.514	11	121.7855	0.489	13	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:3:4:	3:	N[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	O(C[6]C[6,6]N[6,6])	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,5|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){4|C<4>,6|H<1>}	O(C[6]C[6,6]N[6,6])	122.2420	0.000	1	121.9668	0.475	5	121.6852	0.514	11	121.7855	0.489	13	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:3:4:	3:	N[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH)	O(C[6]C[6,6]N[6,6])	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6]N[6,6])	122.1390	0.000	1	121.4505	0.502	6	121.6852	0.514	11	121.7855	0.489	13	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:3:4:	3:	N[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH)	O(C[6]C[6,6]N[6,6])	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|C<3>,1|N<3>,2|O<2>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6]N[6,6])	120.9645	0.281	2	121.4505	0.502	6	121.6852	0.514	11	121.7855	0.489	13	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:3:4:	3:	N[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH)	O(C[6]C[6,6]N[6,6])	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,1|O<2>,4|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	O(C[6]C[6,6]N[6,6])	122.5160	0.000	1	121.4505	0.502	6	121.6852	0.514	11	121.7855	0.489	13	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:3:4:	3:	N[6,6]-3:C[6,6]-4:O-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O)	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH)	O(C[6]C[6,6]N[6,6])	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(O){1|N<3>,2|O<2>,4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	O(C[6]C[6,6]N[6,6])	121.0595	0.211	2	121.4505	0.502	6	121.6852	0.514	11	121.7855	0.489	13	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6a]HH)(O)	N[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6a]HH)(O){1|H<1>,2|C<4>,4|C<3>}	N[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	O(C[6]N[6,6]C[6])	121.4500	0.000	1	121.4500	0.000	1	121.3305	0.029	2	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O)	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O){1|N<3>,3|C<4>,4|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|H<1>,4|C<4>}	O(C[6]N[6,6]C[6])	121.2110	0.000	1	121.2110	0.000	1	121.3305	0.029	2	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[4x6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,4|C<4>,8|H<1>}	O(C[6]N[6,6]C[6])	121.1500	0.472	2	121.1500	0.223	2	121.1500	0.223	2	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	N[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,3|C<4>,7|H<1>}	O(C[6]N[6,6]C[6])	120.9520	0.000	1	120.9520	0.000	1	120.9520	0.000	1	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[3x6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(O){1|N<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O){6|C<4>,6|H<1>}	O(C[6]N[6,6]C[6])	122.0390	0.000	1	122.0390	0.000	1	122.0390	0.000	1	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(O)	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]N[6,6]C[6])	124.1640	0.000	1	124.1640	0.000	1	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	O(C[6]N[6,6]C[6])	121.2150	0.424	2	121.2150	0.180	2	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O){2|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,3|C<3>,4|H<1>}	O(C[6]N[6,6]C[6])	122.6980	0.000	1	122.6980	0.000	1	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(O){2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	O(C[6]N[6,6]C[6])	121.9310	0.000	1	121.9310	0.000	1	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){1|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]N[6,6]C[6])	122.0570	0.528	2	122.0570	0.278	2	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){1|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	O(C[6]N[6,6]C[6])	121.7840	0.000	1	122.0930	0.191	2	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	O(C[6]N[6,6]C[6])	122.4020	0.000	1	122.0930	0.191	2	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]ClH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]ClH)(O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){1|Cl<1>,2|C<4>,7|H<1>}	O(C[6]N[6,6]C[6])	121.3210	0.000	1	121.3210	0.000	1	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	N[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<2>,2|C<4>,6|H<1>}	O(C[6]N[6,6]C[6])	119.1090	0.000	1	119.1090	0.000	1	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	O(C[6]N[6,6]C[6])	118.4790	0.000	1	118.4790	0.000	1	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	O(C[6]N[6,6]C[6])	121.0010	0.000	1	120.8110	0.214	3	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	O(C[6]N[6,6]C[6])	121.1480	0.000	1	120.8110	0.214	3	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	O(C[6]N[6,6]C[6])	120.2840	0.000	1	120.8110	0.214	3	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	O(C[6]N[6,6]C[6])	122.2320	0.873	2	122.1370	0.408	3	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	O(C[6]N[6,6]C[6])	121.9470	0.000	1	122.1370	0.408	3	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	O(C[6]N[6,6]C[6])	121.4480	0.356	2	121.7578	0.480	4	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]N[6,6]C[6])	122.7490	0.000	1	121.7578	0.480	4	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	O(C[6]N[6,6]C[6])	121.3860	0.000	1	121.7578	0.480	4	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[6]N[6,6]C[6])	122.5500	0.000	1	122.5500	0.000	1	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|S<2>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	O(C[6]N[6,6]C[6])	123.0150	0.000	1	121.7052	0.626	13	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	O(C[6]N[6,6]C[6])	121.5960	0.717	12	121.7052	0.626	13	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	O(C[6]N[6,6]C[6])	122.2620	0.000	1	122.2620	0.000	1	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O(C[6]N[6,6]C[6])	122.1980	0.000	1	121.2057	0.615	4	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	O(C[6]N[6,6]C[6])	121.2390	0.000	1	121.2057	0.615	4	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	O(C[6]N[6,6]C[6])	120.6930	0.578	2	121.2057	0.615	4	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){2|C<4>,8|H<1>}	O(C[6]N[6,6]C[6])	121.4930	0.000	1	121.4270	0.092	3	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,7|H<1>}	O(C[6]N[6,6]C[6])	121.0960	0.000	1	121.4270	0.092	3	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	O(C[6]N[6,6]C[6])	121.6920	0.000	1	121.4270	0.092	3	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|O<2>,2|C<4>,7|H<1>}	O(C[6]N[6,6]C[6])	121.9910	0.000	1	122.1005	0.024	2	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,7|H<1>}	O(C[6]N[6,6]C[6])	122.2100	0.000	1	122.1005	0.024	2	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|N<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,6|H<1>}	O(C[6]N[6,6]C[6])	122.3550	0.000	1	122.3550	0.000	1	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(O){1|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	O(C[6]N[6,6]C[6])	123.2720	0.334	2	123.2720	0.111	2	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	O(C[6]N[6,6]C[6])	122.9808	0.476	12	123.0733	0.175	19	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|H<1>}	O(C[6]N[6,6]C[6])	123.2673	0.299	4	123.0733	0.175	19	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	O(C[6]N[6,6]C[6])	123.1847	0.226	3	123.0733	0.175	19	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]S[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]S[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]N[6,6]C[6])	122.9203	0.223	3	122.9203	0.050	3	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]N[6,6]C[6])	122.8950	0.176	3	122.8950	0.031	3	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,6|H<1>}	O(C[6]N[6,6]C[6])	122.3600	0.000	1	122.7558	1.260	5	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,6|H<1>}	O(C[6]N[6,6]C[6])	122.8547	1.271	4	122.7558	1.260	5	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	O(C[6]N[6,6]C[6])	122.9357	0.419	4	122.9357	0.175	4	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O(C[6]N[6,6]C[6])	122.4260	0.000	1	122.4260	0.000	1	122.2295	1.101	84	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6]C[3,5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){3|C<4>,5|H<1>}	N[6,6](C[6]C[3,5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O){1|O<2>,3|C<4>,6|H<1>}	O(C[6]N[6,6]C[6])	121.9600	0.000	1	121.9600	0.000	1	123.2202	0.527	6	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]CH)(O){2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	O(C[6]N[6,6]C[6])	123.0690	0.000	1	123.0690	0.000	1	123.2202	0.527	6	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	N[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){2|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O){1|O<1>,2|N<3>,3|C<3>,4|H<1>}	O(C[6]N[6,6]C[6])	123.3700	0.124	3	123.3700	0.015	3	123.2202	0.527	6	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(O){2|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	O(C[6]N[6,6]C[6])	124.1820	0.000	1	124.1820	0.000	1	123.2202	0.527	6	122.2349	1.114	96	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:N[6,6]-3:O-1:	C[6]-3:N[6,6]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]N[6,6]C[6])(O)	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]H)	O(C[6]C[5,6]N[6,6])	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]N[6,6]C[6])(O){2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	O(C[6]C[5,6]N[6,6])	122.8340	0.000	1	122.8340	0.000	1	122.8340	0.000	1	122.8340	0.000	1	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	4:3:1:	3:3:4:	3:	C[3,6]-4:N[6,6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[3,6]C[6,6a]C[3]2)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[3,6]O)(C[6]C[6]HH)	O(C[6]C[3,6]N[6,6])	C[6](C[3,6]C[6,6a]C[3]2)(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[3,6]O)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[3,6]N[6,6])	120.2390	0.000	1	120.2390	0.000	1	120.2390	0.000	1	121.4930	3.145	2	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6,6]-3:O-1:	C[6]-3:N[6,6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]N[6,6]C[6])(O)	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)	O(C[6]C[5,6]N[6,6])	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]N[6,6]C[6])(O){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HO){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	O(C[6]C[5,6]N[6,6])	122.7470	0.000	1	122.7470	0.000	1	122.7470	0.000	1	121.4930	3.145	2	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	4:3:1:	3:4:4:	3:	C[3,6,6]-4:N[6,6]-3:O-1:	C[6]-3:C[6,6]-4:C[6]-4:	C[6]-3:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6]C[3,6,6]O)(C[6,6]C[6]2H)(C[6]C[6]CH)	O(C[6]C[3,6,6]N[6,6])	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(N[6,6]C[6,6]C[6])(O){4|H<1>,6|C<4>}	N[6,6](C[6]C[3,6,6]O)(C[6,6]C[6]2H)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	O(C[6]C[3,6,6]N[6,6])	122.6660	0.000	1	122.6660	0.000	1	122.6660	0.000	1	122.6660	0.000	1	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	4:3:1:	4:3:3:	3:	C[3x6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:	C[6](C[3x6]C[3x6]C[6,6]C)(N[6,6]C[6,6]2)(O)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]N[6])(C[6]C[3x6]O)	O(C[6]C[3x6]N[6,6])	C[6](C[3x6]C[3x6]C[6,6]C)(N[6,6]C[6,6]2)(O){1|C<3>,1|N<2>,1|N<3>,3|H<1>,4|C<4>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]N[6])(C[6]C[3x6]O){2|C<2>,2|C<3>,2|H<1>,4|C<4>}	O(C[6]C[3x6]N[6,6])	121.4055	0.128	2	121.4055	0.016	2	121.4055	0.016	2	122.0850	1.393	3	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	4:3:1:	4:3:3:	3:	C[5,6,6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6,6a]-3:C[6]-3:	C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6,6]C[6,6a]C[6,6])(O)	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]O)	O(C[6]C[5,6,6]N[6,6])	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6,6]C[6,6a]C[6,6])(O){3|C<3>,3|H<1>,4|C<4>}	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]O){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	O(C[6]C[5,6,6]N[6,6])	123.4440	0.000	1	123.4440	0.000	1	123.4440	0.000	1	122.0850	1.393	3	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[3,6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH)	O(C[6]C[3,6]N[6,6])	C[6](C[3,6]C[3,6]O[3]H)(N[6,6]C[6,6]C[6])(O){1|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O(C[6]C[3,6]N[6,6])	122.7910	0.000	1	122.7910	0.000	1	122.7910	0.000	1	122.3836	0.576	16	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[5,5,6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,5,6]O)(C[6]C[6]HH)	O(C[6]C[5,5,6]N[6,6])	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(N[6,6]C[6,6]C[6])(O){2|C<3>,5|C<4>,6|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,5,6]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	O(C[6]C[5,5,6]N[6,6])	122.8890	0.000	1	122.8890	0.000	1	122.8890	0.000	1	122.3836	0.576	16	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[5,6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6]C[5,5,6]N[5,6]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6]C[6]HH)	O(C[6]C[5,6]N[6,6])	C[6](C[5,6]C[5,5,6]N[5,6]H)(N[6,6]C[6,6]C[6])(O){3|C<3>,3|H<1>,4|C<4>}	N[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	O(C[6]C[5,6]N[6,6])	123.6950	0.000	1	123.6950	0.000	1	122.3599	0.726	8	122.3836	0.576	16	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[5,6]-4:N[6,6]-3:O-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)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	O(C[6]C[5,6]N[6,6])	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){4|C<4>,7|H<1>}	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){4|C<4>,6|H<1>}	O(C[6]C[5,6]N[6,6])	122.9190	0.000	1	122.9190	0.000	1	122.3599	0.726	8	122.3836	0.576	16	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[5,6]-4:N[6,6]-3:O-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)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	O(C[6]C[5,6]N[6,6])	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	O(C[6]C[5,6]N[6,6])	122.4420	1.110	2	122.4420	1.232	2	122.3599	0.726	8	122.3836	0.576	16	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[5,6]-4:N[6,6]-3:O-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)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	O(C[6]C[5,6]N[6,6])	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[5,6]N[6,6])	122.4230	0.000	1	122.4230	0.000	1	122.3599	0.726	8	122.3836	0.576	16	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[5,6]-4:N[6,6]-3:O-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)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)	O(C[6]C[5,6]N[6,6])	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){5|H<1>,6|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH){5|C<4>,5|H<1>}	O(C[6]C[5,6]N[6,6])	121.4540	0.000	2	121.4540	0.000	2	122.3599	0.726	8	122.3836	0.576	16	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[5,6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]C)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	O(C[6]C[5,6]N[6,6])	C[6](C[5,6]N[5,6]C[5]C)(N[6,6]C[6,6]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5,6]N[6,6])	122.0500	0.000	1	122.0500	0.000	1	122.3599	0.726	8	122.3836	0.576	16	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[6,6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(O)	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	O(C[6]C[6,6]N[6,6])	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(O){1|N<3>,4|C<4>,6|H<1>}	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]O)(C[6]C[6]HH){4|H<1>,5|C<4>}	O(C[6]C[6,6]N[6,6])	121.9580	0.000	1	121.9580	0.000	1	121.9580	0.000	1	122.3836	0.576	16	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[6,6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]N)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]CH)	O(C[6]C[6,6]N[6,6])	C[6](C[6,6]C[6,6]C[6]N)(N[6,6]C[6,6]C[6])(O){1|O<2>,4|H<1>,6|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]CH){1|N<3>,3|C<4>,6|H<1>}	O(C[6]C[6,6]N[6,6])	122.3340	0.000	1	122.3340	0.000	1	122.3240	0.732	5	122.3836	0.576	16	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[6,6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]S)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]CH)	O(C[6]C[6,6]N[6,6])	C[6](C[6,6]C[6,6]C[6]S)(N[6,6]C[6,6]C[6])(O){2|C<3>,4|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	O(C[6]C[6,6]N[6,6])	121.1550	0.000	1	121.1550	0.000	1	122.3240	0.732	5	122.3836	0.576	16	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[6,6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH)	O(C[6]C[6,6]N[6,6])	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6,6]N[6,6])	122.2825	0.122	2	122.7103	0.557	3	122.3240	0.732	5	122.3836	0.576	16	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[6,6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH)	O(C[6]C[6,6]N[6,6])	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O){1|C<3>,4|C<4>,5|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	O(C[6]C[6,6]N[6,6])	123.5660	0.000	1	122.7103	0.557	3	122.3240	0.732	5	122.3836	0.576	16	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	4:3:1:	4:4:3:	3:	C[5,6]-4:N[6,6]-3:O-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]C[5,6]O)	O(C[6]C[5,6]N[6,6])	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){3|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	O(C[6]C[5,6]N[6,6])	122.6020	0.000	1	122.6020	0.000	1	122.7673	0.022	3	122.4156	0.287	5	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	4:3:1:	4:4:3:	3:	C[5,6]-4:N[6,6]-3:O-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O)	O(C[6]C[5,6]N[6,6])	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	O(C[6]C[5,6]N[6,6])	122.8920	0.000	1	122.8500	0.004	2	122.7673	0.022	3	122.4156	0.287	5	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	4:3:1:	4:4:3:	3:	C[5,6]-4:N[6,6]-3:O-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O)	O(C[6]C[5,6]N[6,6])	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|H<1>,2|N<3>,2|O<1>}	O(C[6]C[5,6]N[6,6])	122.8080	0.000	1	122.8500	0.004	2	122.7673	0.022	3	122.4156	0.287	5	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	4:3:1:	4:4:3:	3:	C[6,6]-4:N[6,6]-3:O-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-3:	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O)	O(C[6]C[6,6]N[6,6])	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(O){2|C<3>,4|C<4>,4|H<1>}	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6]N[6,6])	122.1840	0.000	1	122.1840	0.000	1	122.1840	0.000	1	122.4156	0.287	5	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6,6]	O	4:3:1:	4:4:3:	3:	C[6]-4:N[6,6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]C[6a]C)(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](C[6]C[6,6a]C[6a]C)(N[6,6]C[6,6]C[6])(O){2|C<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	O(C[6]N[6,6]C[6])	121.5920	0.000	1	121.5920	0.000	1	121.5920	0.000	1	122.4156	0.287	5	122.0224	1.902	219	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	2:3:1:	3:3:4:	3:	O[6]-2:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](O[6]B[3x6])(N[6]C[6]C)(O)	N[6](C[6]N[6]H)(C[6]O[6]O)(CCCH)	O(C[6]N[6]O[6])	C[6](O[6]B[3x6])(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|C<4>}	N[6](C[6]N[6]H)(C[6]O[6]O)(CCCH){1|B<4>,1|C<4>}	O(C[6]N[6]O[6])	119.7850	0.184	2	119.7850	0.034	2	119.7850	0.034	2	119.7850	0.034	2	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	2:3:1:	4:3:1:	3:	O[6]-2:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](O[6]C[5,6])(N[6]C[6]H)(O)	N[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](O[6]C[5,6])(N[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(H){2|C<4>,3|C<3>}	O(C[6]N[6]O[6])	124.0380	0.000	1	124.0380	0.000	1	124.4492	0.700	9	124.4492	0.700	9	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	2:3:1:	4:3:1:	3:	O[6]-2:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](O[6]C[5,6])(N[6]C[6]H)(O)	N[6](C[6]C[5,6]HH)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](O[6]C[5,6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]O[6]O)(H){3|C<4>}	O(C[6]N[6]O[6])	124.2020	0.000	1	124.3575	0.048	2	124.4492	0.700	9	124.4492	0.700	9	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	2:3:1:	4:3:1:	3:	O[6]-2:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](O[6]C[5,6])(N[6]C[6]H)(O)	N[6](C[6]C[5,6]HH)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](O[6]C[5,6])(N[6]C[6]H)(O){2|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]O[6]O)(H){3|C<4>}	O(C[6]N[6]O[6])	124.5130	0.000	1	124.3575	0.048	2	124.4492	0.700	9	124.4492	0.700	9	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	2:3:1:	4:3:1:	3:	O[6]-2:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](O[6]C[5,6])(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](O[6]C[5,6])(N[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	O(C[6]N[6]O[6])	124.8940	0.000	1	124.8940	0.000	1	124.4492	0.700	9	124.4492	0.700	9	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	2:3:1:	4:3:1:	3:	O[6]-2:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](O[6]C[6,6])(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](O[6]C[6,6])(N[6]C[6]H)(O){1|H<1>,4|C<4>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|S<2>}	O(C[6]N[6]O[6])	123.2830	0.106	2	123.2830	0.011	2	124.4492	0.700	9	124.4492	0.700	9	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	2:3:1:	4:3:1:	3:	O[6]-2:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](O[6]C[6,6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]C[5a]C)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](O[6]C[6,6a])(N[6]C[6]H)(O){4|C<3>}	N[6](C[6]C[6,6a]C[5a]C)(C[6]O[6]O)(H){1|N<3>,3|C<3>}	O(C[6]N[6]O[6])	125.2460	0.000	1	125.2460	0.000	1	124.4492	0.700	9	124.4492	0.700	9	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	2:3:1:	4:3:1:	3:	O[6]-2:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](O[6]C[6,6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](O[6]C[6,6a])(N[6]C[6]H)(O){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H){4|C<3>}	O(C[6]N[6]O[6])	125.2920	0.617	2	125.2920	0.380	2	124.4492	0.700	9	124.4492	0.700	9	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	2:3:1:	4:3:3:	3:	O[6]-2:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](O[6]C[5,6])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]CH)(C[6]O[6]O)(COO)	O(C[6]N[6]O[6])	C[6](O[6]C[5,6])(N[6]C[6]C)(O){2|H<1>,3|C<4>}	N[6](C[6]C[5,6]CH)(C[6]O[6]O)(COO){1|C<4>,1|H<1>,1|N<3>}	O(C[6]N[6]O[6])	124.5210	0.000	1	124.5210	0.000	1	124.5210	0.000	1	124.5210	0.000	1	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	2:3:1:	4:3:4:	3:	O[6]-2:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](O[6]C[6,6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH)	O(C[6]N[6]O[6])	C[6](O[6]C[6,6a])(N[6]C[6]C)(O){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH){1|N<2>,1|N<3>,2|C<3>}	O(C[6]N[6]O[6])	125.2296	0.412	5	125.2296	0.170	5	125.2924	1.159	10	124.9820	1.346	13	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	2:3:1:	4:3:4:	3:	O[6]-2:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](O[6]C[6,6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCHH)	O(C[6]N[6]O[6])	C[6](O[6]C[6,6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	O(C[6]N[6]O[6])	125.9070	0.581	2	125.9070	0.338	2	125.2924	1.159	10	124.9820	1.346	13	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	2:3:1:	4:3:4:	3:	O[6]-2:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](O[6]C[6,6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)	O(C[6]N[6]O[6])	C[6](O[6]C[6,6a])(N[6]C[6]C)(O){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH){2|C<3>}	O(C[6]N[6]O[6])	123.8080	0.123	2	123.8080	0.015	2	125.2924	1.159	10	124.9820	1.346	13	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	2:3:1:	4:3:4:	3:	O[6]-2:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](O[6]C[6,6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CH3)	O(C[6]N[6]O[6])	C[6](O[6]C[6,6a])(N[6]C[6]C)(O){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CH3){2|C<3>}	O(C[6]N[6]O[6])	127.3460	0.000	1	127.3460	0.000	1	125.2924	1.159	10	124.9820	1.346	13	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	2:3:1:	4:3:4:	3:	O[6]-2:N[6]-3:O-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](O[6]C[6,6])(N[6]C[6]S)(O)	N[6](C[6]C[6,6]CH)(C[6]O[6]O)(SC[6a]OO)	O(C[6]N[6]O[6])	C[6](O[6]C[6,6])(N[6]C[6]S)(O){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6]CH)(C[6]O[6]O)(SC[6a]OO){1|H<1>,2|C<4>}	O(C[6]N[6]O[6])	122.9850	0.000	1	122.9850	0.000	1	123.8450	1.479	2	124.9820	1.346	13	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	2:3:1:	4:3:4:	3:	O[6]-2:N[6]-3:O-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](O[6]C[6,6a])(N[6]C[6]S)(O)	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(SC[6a]OO)	O(C[6]N[6]O[6])	C[6](O[6]C[6,6a])(N[6]C[6]S)(O){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(SC[6a]OO){4|C<3>}	O(C[6]N[6]O[6])	124.7050	0.000	1	124.7050	0.000	1	123.8450	1.479	2	124.9820	1.346	13	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	2:3:1:	4:3:4:	3:	O[6]-2:N[6]-3:O-1:	S[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](O[6]C[6,6a])(N[6]S[6]C)(O)	N[6](S[6]C[6,6a]OO)(C[6]O[6]O)(CC[6a]HH)	O(C[6]N[6]O[6])	C[6](O[6]C[6,6a])(N[6]S[6]C)(O){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]O[6]O)(CC[6a]HH){2|C<3>}	O(C[6]N[6]O[6])	124.1520	0.000	1	124.1520	0.000	1	124.1520	0.000	1	124.9820	1.346	13	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|O<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	O(C[6]N[6]2)	123.6560	0.000	1	123.6560	0.000	1	119.6348	4.345	52	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|F<1>}	O(C[6]N[6]2)	121.6320	0.000	1	120.1603	3.979	25	119.6348	4.345	52	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>}	O(C[6]N[6]2)	120.0730	1.227	3	120.1603	3.979	25	119.6348	4.345	52	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<3>}	O(C[6]N[6]2)	122.9070	0.000	1	120.1603	3.979	25	119.6348	4.345	52	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<2>}	O(C[6]N[6]2)	117.8910	0.000	1	120.1603	3.979	25	119.6348	4.345	52	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>}	O(C[6]N[6]2)	118.6850	0.182	2	120.1603	3.979	25	119.6348	4.345	52	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<2>}	O(C[6]N[6]2)	121.4130	0.612	2	120.1603	3.979	25	119.6348	4.345	52	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>}	O(C[6]N[6]2)	122.4845	0.731	4	120.1603	3.979	25	119.6348	4.345	52	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<4>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,2|C<4>}	O(C[6]N[6]2)	118.6790	0.197	2	120.1603	3.979	25	119.6348	4.345	52	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6]N[6]2)	116.4260	0.000	1	120.1603	3.979	25	119.6348	4.345	52	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,2|C<4>}	O(C[6]N[6]2)	116.1530	0.000	1	120.1603	3.979	25	119.6348	4.345	52	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|Cl<1>,1|C<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>}	O(C[6]N[6]2)	119.9010	0.842	4	120.1603	3.979	25	119.6348	4.345	52	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|Cl<1>,1|C<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	O(C[6]N[6]2)	119.3390	0.458	2	120.1603	3.979	25	119.6348	4.345	52	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|O<1>,2|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	O(C[6]N[6]2)	123.0060	0.000	1	120.1603	3.979	25	119.6348	4.345	52	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]N[6]O)2(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|N<2>,1|N<3>,1|O<1>}	N[6](C[6]N[6]O)2(H){1|C<3>}	O(C[6]N[6]2)	120.2410	0.102	4	118.9748	3.668	26	119.6348	4.345	52	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]N[6]O)2(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|N<2>,2|O<1>}	N[6](C[6]N[6]O)2(H){1|C<3>}	O(C[6]N[6]2)	120.4675	3.345	2	118.9748	3.668	26	119.6348	4.345	52	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]N[6]O)2(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|N<3>,2|O<1>}	N[6](C[6]N[6]O)2(H){1|C<3>,1|H<1>}	O(C[6]N[6]2)	118.3244	1.546	19	118.9748	3.668	26	119.6348	4.345	52	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]N[6]O)2(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|N<3>,2|O<1>}	N[6](C[6]N[6]O)2(H){1|Zn<4>,1|C<3>}	O(C[6]N[6]2)	123.2820	0.000	1	118.9748	3.668	26	119.6348	4.345	52	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(O[6]C[4,6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[6,6a]H)(O[6]C[4,6])(O){2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]N[6]O[6])	124.3040	0.000	1	124.3040	0.000	1	124.1166	0.507	7	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(O[6]C[6,6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[6,6a]H)(O[6]C[6,6])(O){2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]N[6]O[6])	123.6315	0.139	2	123.6315	0.019	2	124.1166	0.507	7	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(O[6]C[6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[6,6a]H)(O[6]C[6])(O){1|C<2>,1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]N[6]O[6])	124.8180	1.018	2	124.3123	0.788	4	124.1166	0.507	7	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(O[6]C[6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[6,6a]H)(O[6]C[6])(O){1|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]N[6]O[6])	124.1960	0.000	1	124.3123	0.788	4	124.1166	0.507	7	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(O[6]C[6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[6,6a]H)(O[6]C[6])(O){2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]N[6]O[6])	123.4170	0.000	1	124.3123	0.788	4	124.1166	0.507	7	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](N[6]N[6]H)(O[6]C[6])(O)	N[6](C[6]O[6]O)(N[6]C[6]C)(H)	O(C[6]N[6]O[6])	C[6](N[6]N[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]O[6]O)(N[6]C[6]C)(H){1|H<1>,2|C<4>}	O(C[6]N[6]O[6])	123.0910	0.687	2	122.5160	0.598	4	122.5160	0.598	4	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](N[6]N[6]H)(O[6]C[6])(O)	N[6](C[6]O[6]O)(N[6]C[6]C)(H)	O(C[6]N[6]O[6])	C[6](N[6]N[6]H)(O[6]C[6])(O){2|C<4>,2|H<1>}	N[6](C[6]O[6]O)(N[6]C[6]C)(H){1|H<1>,2|C<4>}	O(C[6]N[6]O[6])	121.9410	0.017	2	122.5160	0.598	4	122.5160	0.598	4	120.3157	5.985	63	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:2:	3:	N[6]-3:N[6]-2:O-1:	C[5]-3:C[6]-3:C[6]-2:	C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5])(C[6]N[6]O)(C[6]C[6])	O(C[6]N[6]2)	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|N<1>,1|O<2>,2|C<2>}	N[6](C[5]C[5]O[5])(C[6]N[6]O)(C[6]C[6]){1|S<2>,2|C<3>}	O(C[6]N[6]2)	125.0020	0.000	1	125.0020	0.000	1	125.0020	0.000	1	125.0020	0.000	1	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:3:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]2)(N[6]C[6])(O)	N[6](C[6]C[6]2)(C[6]C[6]C)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6]2)(N[6]C[6])(O){1|C<2>,1|C<4>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]C)(C[6]N[6]O){2|H<1>,3|C<3>}	O(C[6]N[6]2)	118.5600	0.000	1	118.5600	0.000	1	118.5600	0.000	1	121.2855	5.811	14	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:3:	3:	N[6]-3:N[6]-2:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6])(O)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6])(O){1|C<4>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O){3|C<3>,3|H<1>}	O(C[6]N[6]2)	118.6830	0.000	1	118.6830	0.000	1	118.6830	0.000	1	121.2855	5.811	14	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:3:	3:	N[6]-3:O[6]-2:O-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:	C[6](N[6]N[6]C)(O[6]C[6])(O)	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO)	O(C[6]N[6]O[6])	C[6](N[6]N[6]C)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO){1|H<1>,2|C<4>}	O(C[6]N[6]O[6])	124.5337	0.632	3	124.4168	0.321	4	124.4168	0.321	4	121.2855	5.811	14	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:3:	3:	N[6]-3:O[6]-2:O-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:	C[6](N[6]N[6]C)(O[6]C[6])(O)	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO)	O(C[6]N[6]O[6])	C[6](N[6]N[6]C)(O[6]C[6])(O){2|C<4>,2|H<1>}	N[6](C[6]O[6]O)(N[6]C[6]C)(CCO){1|C<3>,1|C<4>,1|H<1>}	O(C[6]N[6]O[6])	124.0660	0.000	1	124.4168	0.321	4	124.4168	0.321	4	121.2855	5.811	14	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:3:	3:	N[6]-3:O[6]-2:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(O[6]C[6])(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]O[6]O)	O(C[6]N[6]O[6])	C[6](N[6]C[6a]C[6])(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]O[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]N[6]O[6])	122.8170	0.000	1	122.8170	0.000	1	120.1391	1.880	7	121.2855	5.811	14	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:3:	3:	N[6]-3:O[6]-2:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(O[6]Si[6])(O)	N[6](C[6a]C[6a]2)(C[6]O[6]O)2	O(C[6]N[6]O[6])	C[6](N[6]C[6a]C[6])(O[6]Si[6])(O){1|Ni<4>,1|O<1>,2|C<3>,2|O<2>}	N[6](C[6a]C[6a]2)(C[6]O[6]O)2{1|Si<4>,2|C<3>,2|C<4>}	O(C[6]N[6]O[6])	119.6928	0.763	6	119.6928	0.583	6	120.1391	1.880	7	121.2855	5.811	14	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:3:	3:	N[6]-3:Se[6]-2:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(Se[6]C[6,6a])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]Se[6]O)	O(C[6]Se[6]N[6])	C[6](N[6]C[6a]C[6])(Se[6]C[6,6a])(O){1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]Se[6]O){2|H<1>,4|C<3>}	O(C[6]Se[6]N[6])	122.1130	0.000	1	122.1130	0.000	1	122.1130	0.000	1	121.2855	5.811	14	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:4:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|Br<1>,1|C<3>}	O(C[6]N[6]2)	122.2800	0.000	1	121.2368	5.579	5	121.0236	5.038	7	122.1442	4.435	13	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:4:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,1|C<4>}	O(C[6]N[6]2)	123.6540	0.000	1	121.2368	5.579	5	121.0236	5.038	7	122.1442	4.435	13	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:4:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,1|F<1>}	O(C[6]N[6]2)	118.7055	0.057	2	121.2368	5.579	5	121.0236	5.038	7	122.1442	4.435	13	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:4:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,1|H<1>}	O(C[6]N[6]2)	122.8390	0.000	1	121.2368	5.579	5	121.0236	5.038	7	122.1442	4.435	13	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:4:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(CC[5a]HH)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CC[5a]HH){1|C<3>,1|H<1>}	O(C[6]N[6]2)	122.3770	0.000	1	122.3770	0.000	1	121.0236	5.038	7	122.1442	4.435	13	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:4:	3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|N<2>}	O(C[6]N[6]2)	118.6040	0.000	1	118.6040	0.000	1	121.0236	5.038	7	122.1442	4.435	13	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:4:	3:	N[6]-3:O[6]-2:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(O[6]C[6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CH3)	O(C[6]N[6]O[6])	C[6](N[6]C[6,6a]C)(O[6]C[6])(O){1|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	O(C[6]N[6]O[6])	124.4070	0.000	1	124.4070	0.000	1	124.4070	0.000	1	122.1442	4.435	13	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:4:	3:	N[6]-3:O[6]-2:O-1:	C[6,6a]-3:C[6]-3:S-4:	C[6]-3:	C[6](N[6]C[6,6a]S)(O[6]C[6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(SC[6a]OO)	O(C[6]N[6]O[6])	C[6](N[6]C[6,6a]S)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	O(C[6]N[6]O[6])	123.3980	0.000	2	123.3980	0.000	2	123.3980	0.000	2	122.1442	4.435	13	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:4:	3:	N[6]-3:O[6]-2:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(O[6]C[6])(O)	N[6](C[6]C[6]C)(C[6]O[6]O)(CCCH)	O(C[6]N[6]O[6])	C[6](N[6]C[6]C)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]O[6]O)(CCCH){3|C<4>}	O(C[6]N[6]O[6])	124.4570	0.000	1	124.4570	0.000	1	123.6850	1.192	2	122.1442	4.435	13	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:4:	3:	N[6]-3:O[6]-2:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(O[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)	O(C[6]N[6]O[6])	C[6](N[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]O)(C[6]O[6]O)(CCHH){1|N<3>,2|C<4>}	O(C[6]N[6]O[6])	122.9130	0.000	1	122.9130	0.000	1	123.6850	1.192	2	122.1442	4.435	13	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:3:4:	3:	N[6]-3:S[6]-2:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(S[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]S[6]O)(CCCH)	O(C[6]N[6]S[6])	C[6](N[6]C[6]C)(S[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]O)(C[6]S[6]O)(CCCH){1|C<4>,2|H<1>}	O(C[6]N[6]S[6])	122.1360	0.000	1	122.1360	0.000	1	122.1360	0.000	1	122.1442	4.435	13	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:4:3:	3:	N[6]-3:O[6]-2:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(O[6]C[6])(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O)	O(C[6]N[6]O[6])	C[6](N[6]C[6a]C[6])(O[6]C[6])(O){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O){3|C<3>,4|C<4>}	O(C[6]N[6]O[6])	124.0125	0.012	2	124.0937	0.020	3	124.0937	0.020	3	124.0937	0.020	3	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	3:4:3:	3:	N[6]-3:O[6]-2:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(O[6]C[6])(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O)	O(C[6]N[6]O[6])	C[6](N[6]C[6a]C[6])(O[6]C[6])(O){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]N[6]O[6])	124.2560	0.000	1	124.0937	0.020	3	124.0937	0.020	3	124.0937	0.020	3	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:1:	3:	N[6]-3:N[6]-2:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	O(C[6]N[6]2)	121.1290	0.000	1	121.1290	0.000	1	121.1290	0.000	1	123.8011	1.444	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[3x6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[3x6]H)(O[6]C[6])(O)	N[6](C[3x6]C[3x6]C[5,6]C[6])(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[3x6]H)(O[6]C[6])(O){2|H<1>,3|C<4>}	N[6](C[3x6]C[3x6]C[5,6]C[6])(C[6]O[6]O)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	O(C[6]N[6]O[6])	122.8700	0.000	1	122.8700	0.000	1	122.8700	0.000	1	123.8011	1.444	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6]H)(O[6]C[5,6])(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[5,6]H)(O[6]C[5,6])(O){1|N<3>,2|C<3>,2|C<4>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]N[6]O[6])	123.2145	0.670	2	123.2145	0.448	2	123.0030	0.305	4	123.8011	1.444	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6]H)(O[6]C[6])(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[5,6]H)(O[6]C[6])(O){2|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]N[6]O[6])	122.7915	0.537	2	122.7915	0.288	2	123.0030	0.305	4	123.8011	1.444	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6]H)(O[6]C[6,6])(O)	N[6](C[6,6]C[5a,6]C[3x6]H)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[6,6]H)(O[6]C[6,6])(O){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[5a,6]C[3x6]H)(C[6]O[6]O)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]N[6]O[6])	124.1610	0.000	1	124.1610	0.000	1	124.1610	0.000	1	123.8011	1.444	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[3x6]C[6]H)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[3x6]C[6]H)(C[6]O[6]O)(H){1|C<3>,2|H<1>,3|C<4>}	O(C[6]N[6]O[6])	125.2730	0.267	2	125.2730	0.071	2	124.0585	1.313	25	123.8011	1.444	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6]CC)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[6]CC)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	O(C[6]N[6]O[6])	124.5490	0.000	1	124.5490	0.000	1	124.0585	1.313	25	123.8011	1.444	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[6]H)(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<3>,2|H<1>}	O(C[6]N[6]O[6])	127.1280	0.042	2	124.2357	3.258	8	124.0585	1.313	25	123.8011	1.444	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[6]H)(O[6]C[6])(O){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	O(C[6]N[6]O[6])	123.1370	0.000	1	124.2357	3.258	8	124.0585	1.313	25	123.8011	1.444	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[6]H)(O[6]C[6])(O){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|N<3>,2|C<4>}	O(C[6]N[6]O[6])	123.4980	0.000	1	124.2357	3.258	8	124.0585	1.313	25	123.8011	1.444	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[6]H)(O[6]C[6])(O){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){3|C<4>}	O(C[6]N[6]O[6])	122.9720	0.194	2	124.2357	3.258	8	124.0585	1.313	25	123.8011	1.444	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[6]H)(O[6]C[6])(O){2|H<1>,3|C<4>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|O<2>}	O(C[6]N[6]O[6])	123.3200	0.000	1	124.2357	3.258	8	124.0585	1.313	25	123.8011	1.444	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[6]H)(O[6]C[6])(O){2|H<1>,3|C<4>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	O(C[6]N[6]O[6])	123.7310	0.000	1	124.2357	3.258	8	124.0585	1.313	25	123.8011	1.444	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6]HH)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,2|F<1>}	O(C[6]N[6]O[6])	124.3840	0.000	1	124.2246	0.082	5	124.0585	1.313	25	123.8011	1.444	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6]HH)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[6]H)(O[6]C[6])(O){2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|I<1>}	O(C[6]N[6]O[6])	124.1705	0.534	2	124.2246	0.082	5	124.0585	1.313	25	123.8011	1.444	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6]HH)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[6]H)(O[6]C[6])(O){2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]O[6]O)(H){1|H<1>,2|C<4>}	O(C[6]N[6]O[6])	124.1330	0.000	1	124.2246	0.082	5	124.0585	1.313	25	123.8011	1.444	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6]HH)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[6]H)(O[6]C[6])(O){2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	O(C[6]N[6]O[6])	124.2650	0.000	1	124.2246	0.082	5	124.0585	1.313	25	123.8011	1.444	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6a]C[6]C)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]C)(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]N[6]O[6])	123.2095	0.107	2	123.2095	0.011	2	124.0585	1.313	25	123.8011	1.444	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]N[6]O[6])	123.9070	0.000	1	123.5629	0.260	7	124.0585	1.313	25	123.8011	1.444	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]N[6]O[6])	123.3162	0.380	4	123.5629	0.260	7	124.0585	1.313	25	123.8011	1.444	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(O[6]C[6])(O)	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[6]H)(O[6]C[6])(O){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]N[6]O[6])	123.8840	0.747	2	123.5629	0.260	7	124.0585	1.313	25	123.8011	1.444	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:2:	3:	N[6]-3:N[6]-2:O-1:	C[5]-4:C[6]-3:C[6]-2:	C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5]H)(C[6]N[6]O)(C[6]C[6])	O(C[6]N[6]2)	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	N[6](C[5]C[5]O[5]H)(C[6]N[6]O)(C[6]C[6]){1|C<3>,2|H<1>,3|C<4>}	O(C[6]N[6]2)	118.0300	0.000	1	118.0300	0.000	1	118.0300	0.000	1	118.0300	0.000	1	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:3:	3:	N[6]-3:N[6]-2:O-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	O(C[6]N[6]2)	123.0300	0.000	1	123.0300	0.000	1	122.7694	0.371	7	124.8348	2.581	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:3:	3:	N[6]-3:N[6]-2:O-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	O(C[6]N[6]2)	123.2130	0.000	1	122.7260	0.430	6	122.7694	0.371	7	124.8348	2.581	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:3:	3:	N[6]-3:N[6]-2:O-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	O(C[6]N[6]2)	122.4210	0.000	1	122.7260	0.430	6	122.7694	0.371	7	124.8348	2.581	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:3:	3:	N[6]-3:N[6]-2:O-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	O(C[6]N[6]2)	122.5043	0.848	3	122.7260	0.430	6	122.7694	0.371	7	124.8348	2.581	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:3:	3:	N[6]-3:N[6]-2:O-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6]N[6]2)	123.2090	0.000	1	122.7260	0.430	6	122.7694	0.371	7	124.8348	2.581	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:3:	3:	N[6]-3:O[6]-2:O-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6]C[6a])(O[6]C[6])(O)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)	O(C[6]N[6]O[6])	C[6](N[6]C[6,6]C[6a])(O[6]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	O(C[6]N[6]O[6])	123.5720	0.000	1	123.5720	0.000	1	123.5720	0.000	1	124.8348	2.581	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:3:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](N[6]C[6]C)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(CCO)	O(C[6]N[6]O[6])	C[6](N[6]C[6]C)(O[6]C[6])(O){1|H<1>,4|C<4>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(CCO){1|C<4>,2|H<1>}	O(C[6]N[6]O[6])	124.4517	0.557	3	124.4517	0.310	3	125.1488	2.150	4	124.8348	2.581	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:3:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](N[6]C[6]C)(O[6]C[6])(O)	N[6](C[6]C[6]HH)(C[6]O[6]O)(COO)	O(C[6]N[6]O[6])	C[6](N[6]C[6]C)(O[6]C[6])(O){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]O[6]O)(COO){1|C<3>,2|H<1>}	O(C[6]N[6]O[6])	127.2400	0.000	1	127.2400	0.000	1	125.1488	2.150	4	124.8348	2.581	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:3:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(O)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]O)	O(C[6]N[6]O[6])	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(O){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]O){2|H<1>,4|C<3>}	O(C[6]N[6]O[6])	124.9060	0.000	1	124.9060	0.000	1	125.7991	0.901	15	124.8348	2.581	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:3:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(O)	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]O[6]O)	O(C[6]N[6]O[6])	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(O){1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]O[6]O){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	O(C[6]N[6]O[6])	124.5660	0.661	3	124.5660	0.436	3	125.7991	0.901	15	124.8348	2.581	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:3:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(O)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O)	O(C[6]N[6]O[6])	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(O){2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O){2|H<1>,4|C<3>}	O(C[6]N[6]O[6])	126.2166	0.668	11	126.2166	0.447	11	125.7991	0.901	15	124.8348	2.581	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:4:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(O[6]C[6])(O)	N[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH)	O(C[6]N[6]O[6])	C[6](N[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	O(C[6]N[6]O[6])	124.5600	0.000	1	124.5600	0.000	1	124.1350	0.396	3	122.9321	0.605	18	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:4:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(O[6]C[6])(O)	N[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH)	O(C[6]N[6]O[6])	C[6](N[6]C[6]C)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH){1|C<4>,2|H<1>}	O(C[6]N[6]O[6])	124.4330	0.000	1	123.9225	0.521	2	124.1350	0.396	3	122.9321	0.605	18	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:4:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(O[6]C[6])(O)	N[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH)	O(C[6]N[6]O[6])	C[6](N[6]C[6]C)(O[6]C[6])(O){2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH){1|C<4>,2|H<1>}	O(C[6]N[6]O[6])	123.4120	0.000	1	123.9225	0.521	2	124.1350	0.396	3	122.9321	0.605	18	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:4:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](N[6]C[6]S)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	O(C[6]N[6]O[6])	C[6](N[6]C[6]S)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>}	O(C[6]N[6]O[6])	123.1140	0.239	6	122.9457	0.093	11	122.6915	0.306	15	122.9321	0.605	18	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:4:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](N[6]C[6]S)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	O(C[6]N[6]O[6])	C[6](N[6]C[6]S)(O[6]C[6])(O){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|C<4>,2|H<1>}	O(C[6]N[6]O[6])	122.5420	0.092	2	122.9457	0.093	11	122.6915	0.306	15	122.9321	0.605	18	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:4:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](N[6]C[6]S)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	O(C[6]N[6]O[6])	C[6](N[6]C[6]S)(O[6]C[6])(O){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>}	O(C[6]N[6]O[6])	122.6220	0.000	1	122.9457	0.093	11	122.6915	0.306	15	122.9321	0.605	18	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:4:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](N[6]C[6]S)(O[6]C[6])(O)	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	O(C[6]N[6]O[6])	C[6](N[6]C[6]S)(O[6]C[6])(O){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|C<4>,2|H<1>}	O(C[6]N[6]O[6])	123.0065	0.180	2	122.9457	0.093	11	122.6915	0.306	15	122.9321	0.605	18	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:3:4:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](N[6]C[6]S)(O[6]C[6])(O)	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a]OO)	O(C[6]N[6]O[6])	C[6](N[6]C[6]S)(O[6]C[6])(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	O(C[6]N[6]O[6])	121.9925	0.475	4	121.9925	0.226	4	122.6915	0.306	15	122.9321	0.605	18	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:1:	4:4:3:	3:	N[6]-3:O[6]-2:O-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6]2)(O[6]C[6])(O)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	O(C[6]N[6]O[6])	C[6](N[6]C[6]2)(O[6]C[6])(O){3|C<4>,5|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){3|C<4>,6|H<1>}	O(C[6]N[6]O[6])	124.4090	0.000	1	124.4090	0.000	1	124.4090	0.000	1	124.4090	0.000	1	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:2:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]N[6]H)(O)	N[6](C[6]N[6]O)(N[6]C[6])(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]N[6]H)(O){1|H<1>,2|C<3>}	N[6](C[6]N[6]O)(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]N[6]2)	119.8630	0.000	1	119.8630	0.000	1	121.0017	0.972	3	121.0017	0.972	3	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:2:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:	C[6](N[6]C[6]N)(N[6]N[6]H)(O)	N[6](C[6]N[6]O)(N[6]C[6])(H)	O(C[6]N[6]2)	C[6](N[6]C[6]N)(N[6]N[6]H)(O){1|C<3>,2|H<1>}	N[6](C[6]N[6]O)(N[6]C[6])(H){1|N<2>,2|C<4>}	O(C[6]N[6]2)	121.5710	0.006	2	121.5710	0.000	2	121.0017	0.972	3	121.0017	0.972	3	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:2:4:	3:	C[6,6]-3:N[6]-3:O-1:	C[6]-3:O[6]-2:C-4:	C[6]-3:	C[6](C[6,6]N[6,6]C[6])(N[6]O[6]C)(O)	N[6](C[6]C[6,6]O)(O[6]B[6])(CH3)	O(C[6]C[6,6]N[6])	C[6](C[6,6]N[6,6]C[6])(N[6]O[6]C)(O){1|B<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6]O)(O[6]B[6])(CH3){1|F<1>,1|N<3>,2|C<3>}	O(C[6]C[6,6]N[6])	123.3710	0.000	1	123.3710	0.000	1	123.3710	0.000	1	122.9151	0.359	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:2:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:Ge[6]-2:C-4:	C[6]-3:	C[6](N[6]C[6a]B[6])(N[6]Ge[6]C)(O)	N[6](C[6]N[6]O)(Ge[6]N[6])(CC3)	O(C[6]N[6]2)	C[6](N[6]C[6a]B[6])(N[6]Ge[6]C)(O){2|C<3>,2|N<3>}	N[6](C[6]N[6]O)(Ge[6]N[6])(CC3){1|B<3>,2|C<3>}	O(C[6]N[6]2)	123.3660	0.936	2	123.3660	0.876	2	123.3660	0.876	2	122.9151	0.359	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:2:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:	C[6](N[6]C[6]N[6])(N[6]N[6]C)(O)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	O(C[6]N[6]2)	C[6](N[6]C[6]N[6])(N[6]N[6]C)(O){1|Fe<6>,1|N<3>,2|C<3>}	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|N<3>,2|C<3>}	O(C[6]N[6]2)	123.6827	0.624	3	123.6382	0.441	5	122.8928	0.351	61	122.9151	0.359	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:2:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:	C[6](N[6]C[6]N[6])(N[6]N[6]C)(O)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	O(C[6]N[6]2)	C[6](N[6]C[6]N[6])(N[6]N[6]C)(O){1|Pd<4>,1|N<3>,2|C<3>}	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|N<3>,2|C<3>}	O(C[6]N[6]2)	123.5715	0.985	2	123.6382	0.441	5	122.8928	0.351	61	122.9151	0.359	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:2:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|C<3>,1|C<4>}	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	O(C[6]N[6]2)	122.8120	0.000	1	122.9216	0.289	37	122.8928	0.351	61	122.9151	0.359	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:2:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|C<3>}	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<2>}	O(C[6]N[6]2)	123.0058	0.535	26	122.9216	0.289	37	122.8928	0.351	61	122.9151	0.359	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:2:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|C<3>}	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|N<2>,2|C<4>}	O(C[6]N[6]2)	123.0490	0.396	2	122.9216	0.289	37	122.8928	0.351	61	122.9151	0.359	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:2:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|Cu<4>,1|C<3>}	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	O(C[6]N[6]2)	122.0510	0.000	1	122.9216	0.289	37	122.8928	0.351	61	122.9151	0.359	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:2:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|Pd<4>,1|C<3>}	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	O(C[6]N[6]2)	122.9082	0.448	5	122.9216	0.289	37	122.8928	0.351	61	122.9151	0.359	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:2:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|Pt<4>,1|C<3>}	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	O(C[6]N[6]2)	122.2230	0.590	2	122.9216	0.289	37	122.8928	0.351	61	122.9151	0.359	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:2:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|C<3>}	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6]N[6]2)	122.7897	0.194	6	122.6406	0.271	19	122.8928	0.351	61	122.9151	0.359	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:2:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|Co<6>,1|C<3>}	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6]N[6]2)	122.1775	0.491	2	122.6406	0.271	19	122.8928	0.351	61	122.9151	0.359	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:2:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|Cu<4>,1|C<3>}	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6]N[6]2)	123.5885	0.404	2	122.6406	0.271	19	122.8928	0.351	61	122.9151	0.359	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:2:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|Fe<6>,1|C<3>}	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6]N[6]2)	122.2855	0.390	4	122.6406	0.271	19	122.8928	0.351	61	122.9151	0.359	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:2:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|Mn<6>,1|C<3>}	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6]N[6]2)	122.7450	0.000	1	122.6406	0.271	19	122.8928	0.351	61	122.9151	0.359	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:2:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|Ni<6>,1|C<3>}	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6]N[6]2)	122.2447	0.193	3	122.6406	0.271	19	122.8928	0.351	61	122.9151	0.359	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:2:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|Pd<4>,1|C<3>}	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6]N[6]2)	123.2810	0.000	1	122.6406	0.271	19	122.8928	0.351	61	122.9151	0.359	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[5,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	N[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<3>,1|F<1>,1|N<2>}	O(C[6]C[5,6]N[6])	122.7040	0.000	1	122.7040	0.000	1	127.3402	51.756	4	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[5,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]N[6]H)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O){1|C<3>,2|H<1>,2|N<3>}	N[6](C[6]C[5,6]O)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|N<3>}	O(C[6]C[5,6]N[6])	131.4050	9.409	2	131.4050	88.525	2	127.3402	51.756	4	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[5,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]N[6]N)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|N<3>}	N[6](C[6]C[5,6]O)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|N<3>}	O(C[6]C[5,6]N[6])	123.8470	0.000	1	123.8470	0.000	1	127.3402	51.756	4	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(H)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(O){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[5a,6]N[6])	122.3180	0.008	2	122.3180	0.000	2	122.3180	0.000	2	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){2|C<3>,2|H<1>}	O(C[6]C[5a,6]N[6])	119.4250	0.117	2	119.8640	0.256	5	119.9976	0.657	8	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	O(C[6]C[5a,6]N[6])	119.7520	0.000	1	119.8640	0.256	5	119.9976	0.657	8	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){1|N<2>,2|C<3>}	O(C[6]C[5a,6]N[6])	120.1120	0.000	1	119.8640	0.256	5	119.9976	0.657	8	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	O(C[6]C[5a,6]N[6])	120.6060	0.000	1	119.8640	0.256	5	119.9976	0.657	8	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]O)(C[6]N[6]H)(H)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|N<2>,2|H<1>,2|N<3>}	N[6](C[6]C[5a,6]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	O(C[6]C[5a,6]N[6])	119.6130	0.000	1	119.6130	0.000	1	119.9976	0.657	8	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|N<3>}	O(C[6]C[5a,6]N[6])	119.3440	0.000	1	120.5240	2.785	2	119.9976	0.657	8	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O){1|C<3>,1|H<1>,3|N<3>}	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6]C[5a,6]N[6])	121.7040	0.000	1	120.5240	2.785	2	119.9976	0.657	8	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]O)(H){1|C<2>,1|C<4>,3|C<3>}	O(C[6]C[6,6a]N[6])	121.7390	0.000	2	121.7390	0.000	2	121.7390	0.000	2	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(O)	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.5750	0.000	1	121.5750	0.000	1	121.8955	0.205	2	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a]H)(O){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[6,6a]N[6])	122.2160	0.000	1	122.2160	0.000	1	121.8955	0.205	2	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)2(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(H){3|C<3>}	O(C[6]C[6,6a]N[6])	120.0705	0.190	2	120.0705	0.036	2	120.7482	1.614	6	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|C<4>,3|C<3>}	O(C[6]C[6,6a]N[6])	121.5000	0.000	1	121.5000	0.000	1	120.7482	1.614	6	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(H){3|C<3>}	O(C[6]C[6,6a]N[6])	120.1490	0.000	1	120.1490	0.000	1	120.7482	1.614	6	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]H)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	O(C[6]C[6,6a]N[6])	119.6960	0.000	1	119.6960	0.000	1	120.7482	1.614	6	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[6,6a]N[6])	123.0030	0.000	1	123.0030	0.000	1	120.7482	1.614	6	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5,6]F)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[5,6]F)(N[6]C[6]H)(O){1|C<3>,1|O<1>,1|O<2>}	N[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<3>,1|F<1>,1|N<2>}	O(C[6]C[6]N[6])	120.9820	0.000	1	120.9820	0.000	1	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,2|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	O(C[6]C[6]N[6])	117.9610	0.757	2	117.9610	0.572	2	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5a,6]N)(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[5a,6]N)(N[6]C[6]H)(O){1|C<3>,1|O<1>,1|S<2>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){1|N<2>,2|C<3>}	O(C[6]C[6]N[6])	121.8690	0.000	1	121.8690	0.000	1	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5a,6]O)(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[5a,6]O)(N[6]C[6]H)(O){1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	O(C[6]C[6]N[6])	122.9710	0.000	1	122.4475	0.548	2	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5a,6]O)(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[5a,6]O)(N[6]C[6]H)(O){1|C<3>,1|O<1>,1|S<2>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	O(C[6]C[6]N[6])	121.9240	0.000	1	122.4475	0.548	2	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<2>,1|S<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	O(C[6]C[6]N[6])	116.8560	0.000	1	116.8560	0.000	1	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(O){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(H){3|C<3>}	O(C[6]C[6]N[6])	119.8020	0.000	1	119.8020	0.000	1	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]C[6]H)(O){1|C<4>,2|N<3>}	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6]C[6]N[6])	119.2430	0.000	1	119.2430	0.000	1	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H){2|C<3>,2|C<4>}	O(C[6]C[6]N[6])	119.1795	0.373	4	119.1795	0.139	4	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,2|C<3>}	O(C[6]C[6]N[6])	119.5370	0.000	1	119.5370	0.000	1	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]C)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>}	O(C[6]C[6]N[6])	121.4130	0.000	1	121.4130	0.000	1	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]N)(H){2|C<3>}	O(C[6]C[6]N[6])	117.1710	0.000	1	117.2890	0.028	2	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(O){3|N<3>}	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]N[6])	117.4070	0.000	1	117.2890	0.028	2	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|Cl<1>,1|N<2>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>}	O(C[6]C[6]N[6])	119.1375	0.243	4	119.0664	0.723	16	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<3>}	O(C[6]C[6]N[6])	118.6300	0.000	1	119.0664	0.723	16	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]N[6])	120.5445	0.125	2	119.0664	0.723	16	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	O(C[6]C[6]N[6])	119.6690	0.000	1	119.0664	0.723	16	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	O(C[6]C[6]N[6])	118.6406	0.780	8	119.0664	0.723	16	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|N<3>,1|S<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|C<4>}	O(C[6]C[6]N[6])	119.4830	0.000	1	119.6676	0.277	18	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6]C[6]N[6])	120.6500	0.000	1	119.6676	0.277	18	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]N[6])	119.3329	0.269	7	119.6676	0.277	18	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]N[6])	119.6690	0.557	6	119.6676	0.277	18	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	O(C[6]C[6]N[6])	120.1800	0.270	3	119.6676	0.277	18	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]O)2(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6]C[6]N[6])	119.5150	0.000	1	119.5730	1.385	3	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]O)2(H){1|C<2>,2|C<3>}	O(C[6]C[6]N[6])	119.6020	1.663	2	119.5730	1.385	3	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]F)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]F)(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|F<1>}	O(C[6]C[6]N[6])	121.0890	0.000	1	121.0890	0.000	1	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]C)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	O(C[6]C[6]N[6])	119.1843	0.043	3	119.1843	0.002	3	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<4>,2|N<3>}	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	O(C[6]C[6]N[6])	118.3604	0.710	5	117.9853	0.502	9	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(O){3|N<3>}	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	O(C[6]C[6]N[6])	117.5165	0.375	4	117.9853	0.502	9	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	O(C[6]C[6]N[6])	119.8090	0.000	1	117.4283	3.851	38	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|Cl<1>,1|N<2>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	O(C[6]C[6]N[6])	120.1675	0.104	2	117.4283	3.851	38	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	O(C[6]C[6]N[6])	117.2038	1.879	35	117.4283	3.851	38	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	O(C[6]C[6]N[6])	119.0589	0.575	21	118.8018	0.916	37	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<2>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	O(C[6]C[6]N[6])	118.9850	0.550	4	118.8018	0.916	37	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	O(C[6]C[6]N[6])	119.3880	0.214	4	118.8018	0.916	37	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<2>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	O(C[6]C[6]N[6])	119.3203	0.452	3	118.8018	0.916	37	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|N<3>,1|O<2>,1|S<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	O(C[6]C[6]N[6])	116.7927	0.599	4	118.8018	0.916	37	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|S<2>,2|N<3>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|Zn<5>,1|C<3>,1|H<1>}	O(C[6]C[6]N[6])	116.8050	0.000	1	118.8018	0.916	37	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]O)2(H){1|C<2>,1|C<3>,1|H<1>}	O(C[6]C[6]N[6])	118.6360	0.000	1	118.6360	0.000	1	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]N[6]Se)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|Se<1>,1|C<4>,1|N<3>}	N[6](C[6]N[6]Se)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	O(C[6]C[6]N[6])	119.3485	0.639	10	119.3485	0.409	10	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(O){3|N<3>}	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|N<4>}	O(C[6]C[6]N[6])	118.3140	0.000	1	118.3140	0.000	1	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>}	O(C[6]C[6]N[6])	119.3903	0.037	3	118.7302	2.224	45	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<2>}	O(C[6]C[6]N[6])	121.1800	0.000	1	118.7302	2.224	45	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>}	O(C[6]C[6]N[6])	118.1845	0.145	2	118.7302	2.224	45	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<2>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<2>}	O(C[6]C[6]N[6])	119.6855	0.470	2	118.7302	2.224	45	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<2>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>}	O(C[6]C[6]N[6])	118.1310	0.241	4	118.7302	2.224	45	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6]C[6]N[6])	120.0374	1.439	14	118.7302	2.224	45	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6]C[6]N[6])	117.4522	0.391	18	118.7302	2.224	45	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Zn<4>,1|C<3>,1|N<2>}	O(C[6]C[6]N[6])	120.5810	0.000	1	118.7302	2.224	45	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N[5])(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]N[5])(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]N[6])	121.1510	0.116	2	121.1510	0.013	2	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]O)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]O)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	O(C[6]C[6]N[6])	121.1660	0.000	1	121.1660	0.000	1	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	O(C[6]C[6]N[6])	117.8527	0.720	14	117.8527	0.518	14	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6a]N[6])(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]N[6])(N[6]C[6]H)(O){1|N<3>,1|S<1>,2|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6]C[6]N[6])	120.9490	0.000	1	120.9490	0.000	1	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]H)(N[6]C[6]H)(O){1|Ru<9>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|N<3>,2|H<1>}	O(C[6]C[6]N[6])	123.0200	0.000	1	123.0200	0.000	1	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]O)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]O)2(H){1|N<3>,2|O<1>}	O(C[6]C[6]N[6])	123.4715	0.218	2	123.4715	0.048	2	118.7531	2.581	220	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[5,6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(H)	O(C[6]N[5,6]N[6])	C[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]H)(O){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]N[5,6]N[6])	121.3140	0.000	1	121.3140	0.000	1	122.7605	4.185	2	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[5,6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[5,6]C[5,6]S[5])(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(H)	O(C[6]N[5,6]N[6])	C[6](N[5,6]C[5,6]S[5])(N[6]C[6,6a]H)(O){1|H<1>,2|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	O(C[6]N[5,6]N[6])	124.2070	0.000	1	124.2070	0.000	1	122.7605	4.185	2	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[5a,6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H)	O(C[6]N[5a,6]N[6])	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(O){1|N<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H){1|H<1>,4|C<3>}	O(C[6]N[5a,6]N[6])	123.9410	0.000	1	123.9410	0.000	1	123.9410	0.000	1	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(H)	O(C[6]N[6,6a]N[6])	C[6](N[6,6a]C[6a,6a]C[6,6a])(N[6]C[6,6a]H)(O){1|N<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(H){1|H<1>,4|C<3>}	O(C[6]N[6,6a]N[6])	122.1080	2.157	2	122.1080	4.651	2	122.1080	4.651	2	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6]H)(C[6]C[6]H)(O)	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[5,6]H)(C[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<2>}	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	O(C[6]C[6]N[6])	117.7080	0.000	1	117.7080	0.000	1	117.7080	0.000	1	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(O){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[6]N[6])	122.4220	0.000	1	121.9690	0.155	3	121.9690	0.155	3	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(O){1|Li<5>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[6]N[6])	121.7425	0.039	2	121.9690	0.155	3	121.9690	0.155	3	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(O)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|N<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	O(C[6]N[6]2)	123.2430	0.700	2	123.2430	0.490	2	123.2430	0.490	2	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(O){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|H<1>,2|C<3>,2|C<4>}	O(C[6]N[6]2)	120.1340	0.000	1	120.2420	0.023	2	121.7496	1.078	14	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(O){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6]N[6]2)	120.3500	0.000	1	120.2420	0.023	2	121.7496	1.078	14	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]N[6]2)	121.3340	0.000	1	121.3340	0.000	1	121.7496	1.078	14	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|S<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]O)(H){1|H<1>,1|N<2>,2|C<3>}	O(C[6]N[6]2)	123.0850	0.000	1	123.0850	0.000	1	121.7496	1.078	14	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6]S)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6,6a]H)(N[6]C[6]S)(O){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	O(C[6]N[6]2)	123.7080	0.000	1	123.7080	0.000	1	121.7496	1.078	14	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6]N[6]2)	121.3335	0.230	2	121.7648	0.457	9	121.7496	1.078	14	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O){1|O<2>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6]N[6]2)	121.4720	0.058	2	121.7648	0.457	9	121.7496	1.078	14	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6]N[6]2)	121.2140	0.259	2	121.7648	0.457	9	121.7496	1.078	14	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O){5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|H<1>,4|C<3>}	O(C[6]N[6]2)	122.6147	0.328	3	121.7648	0.457	9	121.7496	1.078	14	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[4,6]O)(C[6]N[6]O)(H){1|F<1>,1|H<1>,2|C<4>}	O(C[6]N[6]2)	119.1255	0.248	2	119.3540	0.353	4	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[4,6]O)(C[6]N[6]O)(H){1|H<1>,3|C<4>}	O(C[6]N[6]2)	119.5825	0.887	2	119.3540	0.353	4	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6,6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[5,6,6]H)(N[6]C[6]H)(O){1|O<1>,3|C<4>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]N[6]2)	118.5460	0.000	1	118.5460	0.000	1	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6]C[5])(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[5,6]C[5])(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	O(C[6]N[6]2)	119.4980	0.000	1	119.4980	0.000	1	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[5,6]H)(N[6]C[6]H)(O){1|C<4>,3|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]N[6]2)	120.6630	0.000	1	120.6630	0.000	1	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]N[6]2)	121.9580	0.467	33	121.9580	0.218	33	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|O<2>,3|C<4>}	O(C[6]N[6]2)	119.5525	0.763	2	119.5248	0.186	5	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	O(C[6]N[6]2)	119.4150	0.000	1	119.5248	0.186	5	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|O<1>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	O(C[6]N[6]2)	119.5520	0.385	2	119.5248	0.186	5	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]N)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[5a,6]H)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6]N[6]2)	121.1390	0.303	2	121.1390	0.092	2	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6,6]C)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|O<2>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6]N[6]2)	121.0250	0.000	1	121.0250	0.000	1	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]S)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|S<1>}	N[6](C[6]C[6,6a]S)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6]N[6]2)	122.0780	0.000	1	122.0780	0.000	1	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>,2|C<4>}	O(C[6]N[6]2)	121.5110	0.000	1	121.5110	0.000	1	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,3|C<4>}	O(C[6]N[6]2)	121.9180	0.000	1	121.9180	0.000	1	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	O(C[6]N[6]2)	120.8580	0.249	2	120.8580	0.062	2	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]N[6]2)	121.0180	0.074	2	121.5292	0.211	11	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]N[6]2)	121.6428	0.428	9	121.5292	0.211	11	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	O(C[6]N[6]2)	120.9350	0.000	1	121.0200	0.113	4	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,3|C<4>}	O(C[6]N[6]2)	120.7690	0.000	1	121.0200	0.113	4	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<3>,2|C<4>}	O(C[6]N[6]2)	121.1880	0.461	2	121.0200	0.113	4	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]S)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|O<1>,1|S<1>}	N[6](C[6]C[6]S)(C[6]N[6]O)(H){2|C<3>,2|C<4>}	O(C[6]N[6]2)	121.6080	0.000	1	121.6080	0.000	1	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Co)(N[6]C[6]H)(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]Co)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Co<4>,1|C<3>,1|H<1>}	O(C[6]N[6]2)	121.0480	0.792	2	121.0480	0.627	2	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Co)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]Co)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Co<4>,1|C<3>,2|C<4>}	O(C[6]N[6]2)	118.2860	0.000	1	118.2860	0.000	1	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Cu)(N[6]C[6]H)(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]Cu)(N[6]C[6]H)(O){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<5>,1|C<3>,1|H<1>}	O(C[6]N[6]2)	122.1210	0.000	1	122.1210	0.000	1	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Cu)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]Cu)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Cu<4>,1|C<3>,2|C<4>}	O(C[6]N[6]2)	119.4080	0.000	1	118.5455	0.785	4	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Cu)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]Cu)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Cu<5>,1|C<3>,2|C<4>}	O(C[6]N[6]2)	118.2580	0.825	3	118.5455	0.785	4	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6]S)(O)	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6]S)(O){1|C<4>,1|H<1>,1|N<2>,1|P<4>}	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<4>,1|S<4>,2|H<1>}	O(C[6]N[6]2)	121.4560	0.000	1	121.4560	0.000	1	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6]W)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6]W)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<4>,1|W<6>,2|H<1>}	O(C[6]N[6]2)	115.0910	0.000	1	115.0910	0.000	1	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]N[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]N[6]H)(O){1|Ru<9>,1|C<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|N<3>,2|H<1>}	O(C[6]N[6]2)	124.1580	0.000	1	124.1580	0.000	1	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]N[6]2)	121.9325	0.766	4	121.9962	0.801	10	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]N[6]2)	122.0387	1.042	6	121.9962	0.801	10	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[5a]C[6])(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|H<1>,3|C<3>}	N[6](C[6]C[5a]C[6])(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]N[6]2)	121.6010	0.000	1	121.6010	0.000	1	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]N[6]2)	122.0820	0.525	4	122.0820	0.275	4	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]N[6]2)	120.7210	0.065	2	120.9357	1.074	44	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	O(C[6]N[6]2)	123.0873	0.538	7	120.9357	1.074	44	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]N[6]2)	120.5176	0.415	35	120.9357	1.074	44	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	O(C[6]N[6]2)	123.6907	0.386	3	123.1484	0.714	88	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6]N[6]2)	123.6400	0.000	1	123.1484	0.714	88	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6]N[6]2)	123.2363	0.829	15	123.1484	0.714	88	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	O(C[6]N[6]2)	123.0187	0.824	49	123.1484	0.714	88	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	O(C[6]N[6]2)	123.1578	0.379	4	123.1484	0.714	88	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|S<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	O(C[6]N[6]2)	122.1260	0.000	1	123.1484	0.714	88	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	O(C[6]N[6]2)	123.6476	0.485	14	123.1484	0.714	88	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){2|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]N[6]2)	120.0660	0.000	1	123.1484	0.714	88	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	O(C[6]N[6]2)	121.9760	0.205	3	121.5109	0.315	68	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|Br<1>,1|C<3>,1|H<1>}	O(C[6]N[6]2)	122.5010	0.000	1	121.5109	0.315	68	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,1|F<1>,1|H<1>}	O(C[6]N[6]2)	121.3327	0.509	15	121.5109	0.315	68	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	O(C[6]N[6]2)	121.5167	0.564	49	121.5109	0.315	68	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	O(C[6]N[6]2)	121.9830	0.718	4	121.8448	0.609	290	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]N[6]2)	121.9215	0.472	2	121.8448	0.609	290	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	O(C[6]N[6]2)	121.8192	0.656	14	121.8448	0.609	290	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6]N[6]2)	122.1924	0.508	18	121.8448	0.609	290	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	O(C[6]N[6]2)	122.2586	1.148	36	121.8448	0.609	290	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	O(C[6]N[6]2)	122.2272	0.414	24	121.8448	0.609	290	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|Cl<1>,1|C<4>,1|H<1>}	O(C[6]N[6]2)	119.7600	0.000	1	121.8448	0.609	290	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]N[6]2)	121.7970	0.657	6	121.8448	0.609	290	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]N[6]2)	121.9255	0.582	2	121.8448	0.609	290	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]N[6]2)	121.7619	0.768	58	121.8448	0.609	290	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|O<2>}	O(C[6]N[6]2)	121.4825	1.340	4	121.8448	0.609	290	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<2>,2|H<1>}	O(C[6]N[6]2)	122.2550	1.698	2	121.8448	0.609	290	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,3|H<1>}	O(C[6]N[6]2)	121.5054	0.591	66	121.8448	0.609	290	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]N[6]2)	121.8949	0.728	20	121.8448	0.609	290	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]N[6]2)	121.4848	0.444	4	121.8448	0.609	290	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|Br<1>,1|C<3>,1|H<1>}	O(C[6]N[6]2)	121.6634	0.465	10	121.8448	0.609	290	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|Cl<1>,1|C<3>,1|H<1>}	O(C[6]N[6]2)	121.7441	0.479	16	121.8448	0.609	290	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|Dy<21>,1|C<4>,1|O<1>,1|O<2>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Dy<21>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]N[6]2)	122.9187	0.806	3	121.8448	0.609	290	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]S)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|S<1>}	N[6](C[6]C[6]S)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	O(C[6]N[6]2)	122.3810	0.000	1	122.3810	0.000	1	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6]N[6]2)	119.8954	0.387	5	119.8954	0.149	5	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]N[6]C)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	O(C[6]N[6]2)	122.2468	0.485	4	122.2468	0.235	4	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]N[6]N)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|N<2>,2|N<3>}	N[6](C[6]N[6]N)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	O(C[6]N[6]2)	123.2137	0.166	6	123.2137	0.028	6	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]N[6]O)2(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]N[6]O)2(H){1|C<3>,2|H<1>}	O(C[6]N[6]2)	122.9225	0.471	4	122.8057	0.241	23	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]N[6]O)2(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|N<2>,2|O<1>}	N[6](C[6]N[6]O)2(H){1|C<3>,1|H<1>}	O(C[6]N[6]2)	122.7811	0.504	19	122.8057	0.241	23	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Ni)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]Ni)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Ni<5>,1|C<3>,2|C<4>}	O(C[6]N[6]2)	118.0055	0.172	2	117.3347	0.611	4	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Ni)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]Ni)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Ni<6>,1|C<3>,2|C<4>}	O(C[6]N[6]2)	116.6640	0.062	2	117.3347	0.611	4	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Pd)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]Pd)(N[6]C[6]H)(O){1|C<4>,1|O<1>,1|O<2>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,2|C<4>}	O(C[6]N[6]2)	119.8340	0.000	1	119.1880	0.316	5	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Pd)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]Pd)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,2|C<4>}	O(C[6]N[6]2)	119.0265	0.498	4	119.1880	0.316	5	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Pt)(N[6]C[6]H)(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]Pt)(N[6]C[6]H)(O){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Pt<4>,1|C<3>,1|H<1>}	O(C[6]N[6]2)	121.0250	0.000	1	121.0250	0.000	1	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Pt)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]Pt)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Pt<4>,1|C<3>,2|C<4>}	O(C[6]N[6]2)	119.0230	0.137	2	119.0230	0.019	2	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Zn<4>,1|C<3>,1|H<1>}	O(C[6]N[6]2)	120.9155	0.466	2	120.9155	0.217	2	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O)	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|Zn<4>,1|C<3>,1|F<1>}	O(C[6]N[6]2)	118.8450	0.000	1	118.8450	0.000	1	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O){1|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Zn<4>,1|C<3>,1|N<2>}	O(C[6]N[6]2)	119.3180	0.000	1	118.7240	0.267	3	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Zn<5>,1|C<3>,2|C<4>}	O(C[6]N[6]2)	118.4270	0.072	2	118.7240	0.267	3	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O)	N[6](C[6]N[6]O)2(H)	O(C[6]N[6]2)	C[6](N[6]C[6]Zn)(N[6]C[6]H)(O){1|N<2>,2|O<1>}	N[6](C[6]N[6]O)2(H){1|Zn<4>,1|C<3>}	O(C[6]N[6]2)	120.0070	0.000	1	120.0070	0.000	1	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O){2|C<4>,3|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	O(C[6]N[6]2)	122.6700	0.116	3	122.6700	0.014	3	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O){1|C<4>,2|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<3>,2|C<4>}	O(C[6]N[6]2)	121.8840	0.000	1	121.8840	0.000	1	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O)	N[6](C[6]N[6]N)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]N[6]N)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	O(C[6]N[6]2)	122.3360	0.000	1	122.3360	0.000	1	121.7943	1.466	648	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](N[6]C[6]O)2(O)	N[6](C[6]N[6]N)(C[6]N[6]O)(O)	O(C[6]N[6]2)	C[6](N[6]C[6]O)2(O){1|N<2>,2|N<3>}	N[6](C[6]N[6]N)(C[6]N[6]O)(O){1|C<3>,1|O<2>}	O(C[6]N[6]2)	123.8000	0.000	1	123.8000	0.000	1	123.8000	0.000	1	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:1:	3:	N[6]-3:N[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]N[6]H)(O)	N[6](N[6]C[6]Ru)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]N[6]H)(O){1|Ru<9>,1|C<3>,1|O<1>}	N[6](N[6]C[6]Ru)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	O(C[6]N[6]2)	121.5370	0.000	1	121.5370	0.000	1	121.5370	0.000	1	121.0748	3.761	919	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:2:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O)	N[6](C[6]C[6,6a]O)2(NC)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(NC){3|C<3>}	O(C[6]C[6,6a]N[6])	119.8160	0.786	4	119.8160	0.618	4	119.8160	0.618	4	122.4145	2.754	39	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:2:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC){1|C<4>,3|C<3>}	O(C[6]C[6,6a]N[6])	119.9750	0.000	1	119.7410	0.517	4	119.8600	0.458	5	122.4145	2.754	39	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:2:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC){2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	119.9870	0.921	2	119.7410	0.517	4	119.8600	0.458	5	122.4145	2.754	39	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:2:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC){2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	119.0150	0.000	1	119.7410	0.517	4	119.8600	0.458	5	122.4145	2.754	39	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:2:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OH){2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	120.3360	0.000	1	120.3360	0.000	1	119.8600	0.458	5	122.4145	2.754	39	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:2:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]O[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6])	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]O[6])(O){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.6580	0.000	1	121.6580	0.000	1	121.6580	0.000	1	122.4145	2.754	39	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:2:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](N[6]C[6]O)2(O)	N[6](C[6]N[6]N)(C[6]N[6]O)(OH)	O(C[6]N[6]2)	C[6](N[6]C[6]O)2(O){1|N<2>,2|N<3>}	N[6](C[6]N[6]N)(C[6]N[6]O)(OH){1|C<3>,1|O<1>}	O(C[6]N[6]2)	122.4200	0.000	1	123.5787	1.014	3	123.5787	1.014	3	122.4145	2.754	39	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:2:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](N[6]C[6]O)2(O)	N[6](C[6]N[6]N)(C[6]N[6]O)(OH)	O(C[6]N[6]2)	C[6](N[6]C[6]O)2(O){1|N<2>,2|N<3>}	N[6](C[6]N[6]N)(C[6]N[6]O)(OH){1|C<3>,1|O<2>}	O(C[6]N[6]2)	124.1580	0.120	2	123.5787	1.014	3	123.5787	1.014	3	122.4145	2.754	39	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:2:	3:	N[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:	C[6](N[6]C[6a]N[6])2(O)	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])	O(C[6]N[6]2)	C[6](N[6]C[6a]N[6])2(O){1|C<4>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	O(C[6]N[6]2)	123.0090	1.529	2	123.2003	0.745	26	123.2003	0.745	26	122.4145	2.754	39	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:2:	3:	N[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:	C[6](N[6]C[6a]N[6])2(O)	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])	O(C[6]N[6]2)	C[6](N[6]C[6a]N[6])2(O){5|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	O(C[6]N[6]2)	123.2557	0.201	12	123.2003	0.745	26	123.2003	0.745	26	122.4145	2.754	39	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:2:	3:	N[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:	C[6](N[6]C[6a]N[6])2(O)	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])	O(C[6]N[6]2)	C[6](N[6]C[6a]N[6])2(O){5|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	O(C[6]N[6]2)	123.1769	1.196	12	123.2003	0.745	26	123.2003	0.745	26	122.4145	2.754	39	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[3x6]C[5,6])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[3x6]C[5,6])(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,5|C<3>}	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	O(C[6]C[6,6]N[6])	121.0630	0.000	1	121.0630	0.000	1	122.1110	2.197	2	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[3x6]N[6])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[3x6]N[6])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	O(C[6]C[6,6]N[6])	123.1590	0.000	1	123.1590	0.000	1	122.1110	2.197	2	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,5|C<3>}	O(C[6]C[6,6]N[6])	120.2480	0.000	1	120.2480	0.000	1	120.2480	0.000	1	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[5a]C[6])(O)	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)2	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[5a]C[6])(O){1|H<1>,1|N<2>,1|O<1>,1|S<2>,3|C<3>}	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)2{5|C<3>}	O(C[6]C[6,6a]N[6])	119.5210	0.468	2	119.5210	0.219	2	119.5210	0.219	2	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]N[6])(O)	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)(N[6]C[6,6]H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]N[6])(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]O)(N[6]C[6,6]H){6|C<3>}	O(C[6]C[6,6a]N[6])	121.8615	1.179	2	121.8615	1.389	2	121.8615	1.389	2	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CC[6a]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(CC[6a]O){3|C<3>}	O(C[6]C[6,6a]N[6])	118.9280	0.352	2	118.9280	0.124	2	118.9280	0.124	2	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|H<1>,1|O<1>,5|C<3>}	N[6](C[6]C[6,6a]O)2(C[6]C[6]2){1|N<3>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	120.2669	0.324	16	120.2776	0.106	18	120.2776	0.106	18	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|H<1>,1|O<1>,5|C<3>}	N[6](C[6]C[6,6a]O)2(C[6]C[6]2){2|H<1>,5|C<3>}	O(C[6]C[6,6a]N[6])	120.3635	0.450	2	120.2776	0.106	18	120.2776	0.106	18	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6a]C[6])(O){1|O<1>,6|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|C<4>,5|C<3>}	O(C[6]C[6,6a]N[6])	119.3050	0.576	2	119.3050	0.331	2	120.1103	0.348	73	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){1|C<4>,6|C<3>}	O(C[6]C[6,6a]N[6])	120.1265	0.387	2	120.1278	0.343	69	120.1103	0.348	73	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	O(C[6]C[6,6a]N[6])	119.8455	0.236	6	120.1278	0.343	69	120.1103	0.348	73	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){1|H<1>,6|C<3>}	O(C[6]C[6,6a]N[6])	119.6560	0.544	14	120.1278	0.343	69	120.1103	0.348	73	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|C<4>,5|C<3>}	O(C[6]C[6,6a]N[6])	120.5667	0.567	13	120.1278	0.343	69	120.1103	0.348	73	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|F<1>,5|C<3>}	O(C[6]C[6,6a]N[6])	120.2470	0.113	2	120.1278	0.343	69	120.1103	0.348	73	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	O(C[6]C[6,6a]N[6])	120.2040	0.544	31	120.1278	0.343	69	120.1103	0.348	73	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	N[6](C[6]C[6,6a]O)2(C[6a]C[6a]2){7|C<3>}	O(C[6]C[6,6a]N[6])	120.1210	0.000	1	120.1278	0.343	69	120.1103	0.348	73	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6]C[6,6]O)(C[6a]C[6a]2)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6,6]O)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	120.3125	0.144	2	120.3125	0.021	2	120.1103	0.348	73	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O)	N[6](C[6]C[6,6a]O)2(NCH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(NCH){3|C<3>}	O(C[6]C[6,6a]N[6])	120.2131	0.796	10	120.2131	0.633	10	120.1060	0.604	12	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]C)(NHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]C)(NHH){1|H<1>,2|C<3>}	O(C[6]C[6,6a]N[6])	119.2070	0.000	1	119.2070	0.000	1	120.1060	0.604	12	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]O)(NC[6a]H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]O)(NC[6a]H){1|Pd<4>,4|C<3>}	O(C[6]C[6,6a]N[6])	119.9340	0.000	1	119.9340	0.000	1	120.1060	0.604	12	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O){1|Br<1>,3|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	119.4510	0.000	1	120.0850	0.231	6	119.8372	0.880	9	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	120.3275	0.367	4	120.0850	0.231	6	119.8372	0.880	9	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O){1|Cl<1>,3|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	119.7490	0.000	1	120.0850	0.231	6	119.8372	0.880	9	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	120.2340	0.049	2	120.2340	0.002	2	119.8372	0.880	9	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]Se[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|Se<2>,1|H<1>,1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]Se[6]O){2|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	117.5570	0.000	1	117.5570	0.000	1	119.8372	0.880	9	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(O){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.9290	0.000	1	121.9290	0.000	1	121.2620	0.890	2	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:N[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]Ru)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(O){1|Ru<10>,1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]Ru){1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	120.5950	0.000	1	120.5950	0.000	1	121.2620	0.890	2	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]O)2	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]O)2{1|H<1>,5|C<3>}	O(C[6]C[6,6a]N[6])	120.2655	0.995	4	120.2655	0.990	4	120.2655	0.990	4	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]2)(O)	N[6](C[6]C[6]2)(C[6]C[6]O)2	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]2)(O){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]O)2{1|C<2>,3|C<3>,3|H<1>}	O(C[6]C[6]N[6])	119.2820	0.000	1	119.2820	0.000	1	119.5540	0.148	2	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(O)	N[6](C[6]C[6]2)(C[6]C[6]O)2	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]2)(O){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]O)2{1|C<2>,3|C<3>,3|H<1>}	O(C[6]C[6]N[6])	119.8260	0.000	1	119.8260	0.000	1	119.5540	0.148	2	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6a]N[6])(N[6]C[6]N)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]N[6])(N[6]C[6]N)(O){1|N<3>,1|S<1>,2|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH){1|C<3>,1|H<1>,1|N<2>}	O(C[6]C[6]N[6])	119.3030	0.031	2	119.3030	0.001	2	119.5235	0.192	4	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:	C[6](C[6]N[6]C)(N[6]C[6]N)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]C)(N[6]C[6]N)(O){1|N<3>,1|S<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH){1|C<4>,1|H<1>,1|N<2>}	O(C[6]C[6]N[6])	119.7440	0.617	2	119.7440	0.380	2	119.5235	0.192	4	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6]C[5])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6]C[5])(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|S<2>,3|C<3>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,5|C<3>}	O(C[6]C[6]N[6])	118.8630	0.000	1	118.8630	0.000	1	118.8630	0.000	1	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	N[5,6]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O)	N[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]N[6]O)	O(C[6]N[5,6]N[6])	C[6](N[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]N[6]O){2|C<4>,2|H<1>,3|C<3>}	O(C[6]N[5,6]N[6])	122.5060	0.000	1	122.5060	0.000	1	122.5060	0.000	1	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[5]C[6])(O)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[5]C[6])(O){1|H<1>,1|O<1>,2|S<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	O(C[6]C[6]N[6])	119.5780	0.000	1	119.5780	0.000	1	119.6190	0.003	2	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	N[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(O){1|C<4>,1|O<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{3|C<3>,5|H<1>}	O(C[6]C[6]N[6])	119.6600	0.000	1	119.6600	0.000	1	119.6190	0.003	2	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5,6]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[5,6]C[6a])(N[6]C[6a]C[6])(O){1|N<3>,7|C<3>}	N[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,2|H<1>,6|C<3>}	O(C[6]N[6]2)	120.9850	0.042	2	120.9850	0.002	2	119.9345	4.739	8	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5,6]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[5,6]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	N[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]N[6]O){2|C<4>,2|H<1>,3|C<3>}	O(C[6]N[6]2)	120.9740	0.000	1	120.9740	0.000	1	119.9345	4.739	8	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]B[6])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]B[6])(N[6]C[6a]C[6])(O){1|O<2>,7|C<3>}	N[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]N[6]O){1|B<4>,2|H<1>,5|C<3>}	O(C[6]N[6]2)	116.8450	0.000	1	116.8450	0.000	1	119.9345	4.739	8	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]B[6]C[6])(O)	N[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]B[6]C[6])(O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	N[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]N[6]O){1|B<4>,1|C<4>,2|H<1>,4|C<3>}	O(C[6]N[6]2)	116.0690	0.000	1	116.0690	0.000	1	119.9345	4.739	8	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O)	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O){5|C<3>}	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	O(C[6]N[6]2)	121.2060	0.523	3	121.2060	0.274	3	119.9345	4.739	8	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]N[6])(N[6]N[6]C)(O)	N[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6]N[6])(N[6]N[6]C)(O){1|Fe<6>,1|N<3>,2|C<3>}	N[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]N[6]O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	O(C[6]N[6]2)	121.4463	0.894	3	121.4463	0.800	3	121.9262	0.836	5	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]N[6])(N[6]N[6]C)(O)	N[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6]N[6])(N[6]N[6]C)(O){1|Pd<4>,1|N<3>,2|C<3>}	N[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]N[6]O){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	O(C[6]N[6]2)	122.6460	0.132	2	122.6460	0.017	2	121.9262	0.836	5	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6a]-3:B[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[3x6]Ge[6])(N[6]C[6a]B[6])(O)	N[6](C[6a]C[6a]2)(B[6]N[6]N)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[3x6]Ge[6])(N[6]C[6a]B[6])(O){2|C<3>,2|N<3>,3|C<4>}	N[6](C[6a]C[6a]2)(B[6]N[6]N)(C[6]N[6]O){1|Ge<2>,3|C<3>,3|C<4>}	O(C[6]N[6]2)	120.9850	0.000	1	120.9850	0.000	1	120.0477	0.905	3	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6a]-3:B[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]B[6])(N[6]Ge[6]C)(O)	N[6](C[6a]C[6a]2)(B[6]N[6]N)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]B[6])(N[6]Ge[6]C)(O){2|C<3>,2|N<3>}	N[6](C[6a]C[6a]2)(B[6]N[6]N)(C[6]N[6]O){1|Ge<2>,3|C<3>,3|C<4>}	O(C[6]N[6]2)	119.5790	0.701	2	119.5790	0.492	2	120.0477	0.905	3	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]Fe)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(O){1|Fe<8>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]Fe)(C[6]N[6]O){3|C<4>,4|C<3>}	O(C[6]N[6]2)	121.2200	0.038	2	121.2200	0.001	2	121.7025	0.709	15	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]O)2	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]O)2{1|C<4>,3|C<3>,3|H<1>}	O(C[6]N[6]2)	121.2080	0.000	1	121.2080	0.000	1	121.7025	0.709	15	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O){2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O){3|C<3>,4|H<1>}	O(C[6]N[6]2)	122.8753	0.630	3	122.8753	0.397	3	121.7025	0.709	15	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O){1|C<4>,2|C<3>,2|O<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O){2|C<4>,3|C<3>,3|H<1>}	O(C[6]N[6]2)	121.7940	0.000	1	121.7940	0.000	1	121.7025	0.709	15	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]O)2	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]O)2{1|C<4>,3|C<3>,3|H<1>}	O(C[6]N[6]2)	122.1380	0.000	1	122.1380	0.000	1	121.7025	0.709	15	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])2(O)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(O){2|H<1>,6|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6]N[6]2)	122.5790	0.000	1	122.5790	0.000	1	121.7025	0.709	15	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])2(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(O){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	O(C[6]N[6]2)	121.2875	0.404	2	121.1253	0.267	6	121.7025	0.709	15	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])2(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(O){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O){4|C<3>,4|C<4>}	O(C[6]N[6]2)	121.3925	0.667	2	121.1253	0.267	6	121.7025	0.709	15	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])2(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O){2|C<4>,3|C<3>,3|H<1>}	O(C[6]N[6]2)	120.6960	0.402	2	121.1253	0.267	6	121.7025	0.709	15	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:	C[6](N[6]C[6a]N[6])2(O)	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)	O(C[6]N[6]2)	C[6](N[6]C[6a]N[6])2(O){1|C<4>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C){1|N<2>,2|H<1>,4|C<3>}	O(C[6]N[6]2)	124.3070	0.983	2	124.3070	0.966	2	124.3070	0.966	2	120.3691	1.232	170	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[5,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]N[5,6]C[5])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5])(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	O(C[6]C[5,6]N[6])	122.3610	0.000	1	122.3610	0.000	1	122.3610	0.000	1	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O){1|C<4>,1|O<1>,3|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|N<3>,1|O<1>}	O(C[6]C[5a,6]N[6])	120.6720	0.000	1	120.6720	0.000	1	121.0222	0.138	4	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O)	N[6](C[6]C[5a,6]O)(C[6]N[6]Rh)(CH3)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O){1|Rh<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[6](C[6]C[5a,6]O)(C[6]N[6]Rh)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6]C[5a,6]N[6])	120.8890	0.000	1	120.8890	0.000	1	121.0222	0.138	4	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CH3)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	O(C[6]C[5a,6]N[6])	121.2640	0.396	2	121.2640	0.157	2	121.0222	0.138	4	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	O(C[6]C[5a,6]N[6])	123.2930	0.000	1	123.2930	0.000	1	123.2930	0.000	1	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]S)(CCHH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O){1|N<3>,1|O<2>,1|S<1>,3|C<4>}	N[6](C[6]C[6,6]O)(C[6]N[6]S)(CCHH){1|C<3>,2|C<4>}	O(C[6]C[6,6]N[6])	117.7860	0.000	1	117.7860	0.000	1	117.7860	0.000	1	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:	C[6](C[6,6]N[6,6]C[6])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]N[6,6]C[6])(N[6]C[6a]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	O(C[6]C[6,6]N[6])	122.7150	0.000	1	122.7150	0.000	1	122.7150	0.000	1	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]O)(CH3)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(O){1|H<1>,1|N<3>,3|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]O)(CH3){1|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	120.8450	0.000	1	120.8450	0.000	1	120.8450	0.000	1	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[4,6,6]O)(C[6]C[6,6a]O)(CH3)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[4,6,6]O)(C[6]C[6,6a]O)(CH3){1|C<4>,3|C<3>}	O(C[6]C[6,6a]N[6])	120.3300	0.311	4	120.3300	0.097	4	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(N[6]C[6]C)(O){1|N<3>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	O(C[6]C[6,6a]N[6])	120.0985	0.029	2	119.6052	0.381	4	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[5a,6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	O(C[6]C[6,6a]N[6])	119.1120	0.412	2	119.6052	0.381	4	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	O(C[6]C[6,6a]N[6])	119.3241	0.798	10	119.3241	0.636	10	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CCCH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|B<3>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(CCCH){3|C<3>}	O(C[6]C[6,6a]N[6])	121.3235	0.122	2	120.2599	0.546	103	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CCCH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(CCCH){3|C<3>}	O(C[6]C[6,6a]N[6])	120.2389	0.731	101	120.2599	0.546	103	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|Br<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	O(C[6]C[6,6a]N[6])	120.0953	0.973	4	120.1343	0.425	236	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|C<2>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	O(C[6]C[6,6a]N[6])	121.2128	0.750	5	120.1343	0.425	236	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|Cl<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	O(C[6]C[6,6a]N[6])	119.4640	0.000	1	120.1343	0.425	236	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	O(C[6]C[6,6a]N[6])	121.5310	0.000	1	120.1343	0.425	236	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	O(C[6]C[6,6a]N[6])	120.1028	0.620	223	120.1343	0.425	236	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|O<1>,1|P<4>,3|C<3>}	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	O(C[6]C[6,6a]N[6])	120.2320	0.000	1	120.1343	0.425	236	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|O<1>,1|S<2>,3|C<3>}	N[6](C[6]C[6,6a]O)2(CCHH){3|C<3>}	O(C[6]C[6,6a]N[6])	121.1010	0.000	1	120.1343	0.425	236	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CC[6]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(CC[6]HH){3|C<3>}	O(C[6]C[6,6a]N[6])	119.7386	0.594	44	119.7386	0.353	44	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CC[6a]CH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(CC[6a]CH){3|C<3>}	O(C[6]C[6,6a]N[6])	121.1725	1.249	4	121.1725	1.561	4	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CC[6a]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(CC[6a]HH){3|C<3>}	O(C[6]C[6,6a]N[6])	120.0021	0.575	30	119.9464	0.357	32	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CC[6a]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|O<1>,1|P<4>,3|C<3>}	N[6](C[6]C[6,6a]O)2(CC[6a]HH){3|C<3>}	O(C[6]C[6,6a]N[6])	119.1115	0.073	2	119.9464	0.357	32	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CH3)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(CH3){3|C<3>}	O(C[6]C[6,6a]N[6])	119.9818	0.308	5	120.0598	0.113	6	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)2(CH3)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]C)(O){1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)2(CH3){3|C<3>}	O(C[6]C[6,6a]N[6])	120.4500	0.000	1	120.0598	0.113	6	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[4,6]O)(CH3)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[4,6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]N[6])	120.2446	0.330	5	120.2446	0.109	5	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[5,6]O)(CH3)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[5,6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]N[6])	120.4187	0.395	7	120.4187	0.156	7	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){2|C<3>,2|C<4>}	O(C[6]C[6,6a]N[6])	120.3570	0.561	4	120.3570	0.315	4	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>}	O(C[6]C[6,6a]N[6])	119.9660	0.344	2	119.8506	0.065	5	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]HH){2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	119.7737	0.219	3	119.8506	0.065	5	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	O(C[6]C[6,6a]N[6])	120.0760	0.000	1	119.8303	0.251	10	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]N[6])	120.1335	0.111	2	119.8303	0.251	10	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>}	O(C[6]C[6,6a]N[6])	119.5842	0.500	6	119.8303	0.251	10	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){3|C<3>}	O(C[6]C[6,6a]N[6])	120.4550	0.000	1	119.8303	0.251	10	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]N)(CH3)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]N)(CH3){1|H<1>,2|C<3>}	O(C[6]C[6,6a]N[6])	120.5090	0.000	1	120.5090	0.000	1	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]Rh)(CC[6a]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]Rh)(CC[6a]HH){1|C<4>,2|C<3>}	O(C[6]C[6,6a]N[6])	120.1885	0.398	2	120.1885	0.158	2	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]Rh)(CH3)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]Rh)(CH3){1|C<4>,2|C<3>}	O(C[6]C[6,6a]N[6])	119.8120	0.000	1	119.8120	0.000	1	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]S)(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]S)(CCHH){1|H<1>,2|C<3>}	O(C[6]C[6,6a]N[6])	119.7652	0.383	4	119.7652	0.146	4	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]S)(CC[6a]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]S)(CC[6a]HH){1|H<1>,2|C<3>}	O(C[6]C[6,6a]N[6])	119.7145	0.555	2	119.7145	0.308	2	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]O[6]N)(CC[6a]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]O[6]N)(CC[6a]HH){2|C<3>}	O(C[6]C[6,6a]N[6])	121.1900	0.000	1	121.1900	0.000	1	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]O)(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]O)(CCHH){1|C<4>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.8835	0.120	2	121.8835	0.014	2	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	O(C[6]C[6,6a]N[6])	121.9130	0.000	1	121.9130	0.000	1	120.1075	0.483	488	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C[4]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[4]C[6])(O)	N[6](C[6]C[6,6a]O)2(C[4]C[4]2H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[4]C[6])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]O)2(C[4]C[4]2H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	119.6050	0.897	2	119.6050	0.804	2	119.6050	0.804	2	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	120.7995	1.289	40	120.8676	1.256	56	120.8676	1.256	56	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6,6a]N[6])	121.0379	0.494	16	120.8676	1.256	56	120.8676	1.256	56	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|O<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	118.6840	0.000	1	118.6840	0.000	1	118.6840	0.000	1	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,3|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	122.1050	1.058	2	122.1050	1.119	2	121.7500	0.549	7	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC){2|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.4820	0.000	1	121.4397	0.003	3	121.7500	0.549	7	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC){3|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.4185	0.063	2	121.4397	0.003	3	121.7500	0.549	7	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|N<3>,2|H<1>,5|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH){1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	122.7560	0.000	1	122.7560	0.000	1	121.7500	0.549	7	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]S[6]CH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]S[6]CH){2|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	120.9650	0.000	1	120.9650	0.000	1	121.7500	0.549	7	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>}	O(C[6]C[6]N[6])	118.3355	0.750	6	118.1516	0.442	10	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|N<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>}	O(C[6]C[6]N[6])	117.8280	0.786	2	118.1516	0.442	10	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,2|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	O(C[6]C[6]N[6])	117.9235	0.168	2	118.1516	0.442	10	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5a,6]O)(N[6]C[6]C)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[5a,6]O)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	121.0190	0.000	1	121.0190	0.000	1	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(O){1|C<3>,2|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	O(C[6]C[6]N[6])	118.6102	0.447	4	118.6102	0.200	4	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){3|C<3>}	O(C[6]C[6]N[6])	119.4080	0.000	1	119.4080	0.000	1	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]2)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]2)(N[6]C[6]C)(O){1|N<3>,1|O<2>,2|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>}	O(C[6]C[6]N[6])	118.5055	1.365	2	117.3035	1.076	8	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]2)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]2)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	O(C[6]C[6]N[6])	116.9028	0.603	6	117.3035	1.076	8	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH){1|C<4>,2|C<3>}	O(C[6]C[6]N[6])	118.8915	0.703	6	119.0883	0.683	7	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH){1|H<1>,2|C<3>}	O(C[6]C[6]N[6])	120.2690	0.000	1	119.0883	0.683	7	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	O(C[6]C[6]N[6])	118.9164	1.161	58	118.9164	1.348	58	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,1|O<2>,1|S<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH){1|C<4>,2|C<3>}	O(C[6]C[6]N[6])	117.4500	0.000	1	117.4500	0.000	1	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|S<1>,2|N<3>}	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3){1|C<4>,2|C<3>}	O(C[6]C[6]N[6])	118.5870	0.000	1	118.5870	0.000	1	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]O)2(CCHH){1|C<2>,1|C<3>,1|N<2>}	O(C[6]C[6]N[6])	120.7162	0.336	6	120.2172	0.604	12	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	N[6](C[6]C[6]O)2(CCHH){1|C<3>,2|C<2>}	O(C[6]C[6]N[6])	119.7183	0.787	6	120.2172	0.604	12	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]O)2(CC[6a]HH){1|C<2>,2|C<3>}	O(C[6]C[6]N[6])	119.8850	1.115	4	119.9886	0.987	5	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]O)2(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]N[6])	120.4030	0.000	1	119.9886	0.987	5	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]O)2(CH3){1|C<2>,1|C<3>,1|N<2>}	O(C[6]C[6]N[6])	120.8192	0.293	4	120.8192	0.086	4	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]N[6])	117.3815	0.955	2	117.3815	0.913	2	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|N<3>,1|O<2>,1|S<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]N[6])	117.7485	0.661	4	117.7485	0.438	4	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]C)(O){1|N<2>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|N<2>}	O(C[6]C[6]N[6])	120.5270	0.000	1	120.4350	0.262	5	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6]C[6]N[6])	120.4120	0.588	4	120.4350	0.262	5	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]O)2(CCHH){1|C<2>,1|C<3>,1|N<2>}	O(C[6]C[6]N[6])	120.1828	0.402	6	120.1828	0.162	6	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]O)2(CH3){1|C<2>,1|C<3>,1|N<2>}	O(C[6]C[6]N[6])	120.2905	0.623	4	120.2905	0.388	4	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	O(C[6]C[6]N[6])	117.6854	0.717	10	117.6854	0.513	10	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O){1|C<4>,1|O<1>,3|C<3>}	N[6](C[6]C[6]O)2(CH3){1|C<4>,1|O<2>,2|C<3>}	O(C[6]C[6]N[6])	119.2960	0.000	1	119.2960	0.000	1	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]N[5,6]O)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	122.3350	0.000	1	122.0417	0.099	3	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]N[5,6]O)(N[6]C[6]C)(O){1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	O(C[6]C[6]N[6])	121.8950	0.263	2	122.0417	0.099	3	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[5a,6]O)(N[6]C[6]C)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]N[5a,6]O)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	122.6920	0.014	2	122.6920	0.000	2	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|O<1>,2|C<4>}	N[6](C[6]C[6]O)2(CCHH){1|N<3>,1|O<1>,2|C<4>}	O(C[6]C[6]N[6])	121.8750	0.000	1	121.8750	0.000	1	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|O<1>,2|C<4>}	N[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	122.1624	0.342	5	122.1624	0.117	5	119.2128	2.266	155	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[4,6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[4,6]C[4,6]C[4])(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[4,6]O)(CC[6a]HH)	O(C[6]N[4,6]N[6])	C[6](N[4,6]C[4,6]C[4])(N[6]C[6,6a]C)(O){2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[4,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	O(C[6]N[4,6]N[6])	124.6240	0.000	1	124.6240	0.000	1	124.6240	0.000	1	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[5,6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(CC[6a]HH)	O(C[6]N[5,6]N[6])	C[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	O(C[6]N[5,6]N[6])	123.3620	0.000	2	123.7777	0.231	4	123.7777	0.231	4	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[5,6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(CC[6a]HH)	O(C[6]N[5,6]N[6])	C[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(O){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	O(C[6]N[5,6]N[6])	124.1935	0.022	2	123.7777	0.231	4	123.7777	0.231	4	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[5,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]S)(O)	N[6](C[6]N[5,6]O)(C[6]C[6]O)(SC[6a]OO)	O(C[6]N[5,6]N[6])	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]S)(O){1|O<1>,3|C<4>,3|H<1>}	N[6](C[6]N[5,6]O)(C[6]C[6]O)(SC[6a]OO){2|C<4>,2|H<1>}	O(C[6]N[5,6]N[6])	121.6430	0.000	1	121.6430	0.000	1	121.6430	0.000	1	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6,6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(CC[6a]HH)	O(C[6]N[6,6]N[6])	C[6](N[6,6]C[6,6]C[6])(N[6]C[6,6a]C)(O){1|O<1>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	O(C[6]N[6,6]N[6])	123.3220	0.000	1	123.3220	0.000	1	123.3220	0.000	1	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6,6]C[6,6,6a]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]S)(C[6]N[6,6]O)(CCHH)	O(C[6]N[6,6]N[6])	C[6](N[6,6]C[6,6,6a]C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<3>,1|S<1>,2|H<1>}	N[6](C[6]C[6,6a]S)(C[6]N[6,6]O)(CCHH){1|C<4>,2|C<3>}	O(C[6]N[6,6]N[6])	122.7100	0.000	1	122.7100	0.000	1	121.6330	2.320	2	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6]C)(O)	N[6](C[6]N[6,6]O)(C[6]C[6]H)(CCHH)	O(C[6]N[6,6]N[6])	C[6](N[6,6]C[6,6]B[6])(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	N[6](C[6]N[6,6]O)(C[6]C[6]H)(CCHH){1|Br<1>,1|B<4>,1|C<3>}	O(C[6]N[6,6]N[6])	120.5560	0.000	1	120.5560	0.000	1	121.6330	2.320	2	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6,6]-3:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(O)	N[6](C[6]N[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	O(C[6]N[6,6]N[6])	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(O){3|C<3>,3|C<4>,4|H<1>}	N[6](C[6]N[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	O(C[6]N[6,6]N[6])	120.5760	0.000	1	120.5760	0.000	1	120.5760	0.000	1	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6,6a]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(CH3)	O(C[6]N[6,6a]N[6])	C[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(O){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(CH3){1|H<1>,4|C<3>}	O(C[6]N[6,6a]N[6])	124.9380	0.000	1	124.9380	0.000	1	124.9380	0.000	1	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6,6]O)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6,6]O)(O){2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[6]C[6]N[6])	124.7900	0.000	1	124.7900	0.000	1	120.8598	1.748	20	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]N[6]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]N[6]C)(O){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[6]N[6])	122.2055	0.322	2	122.2055	0.104	2	120.8598	1.748	20	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]N[6]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]N[6]C)(O){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[6]N[6])	122.4920	0.000	1	122.4920	0.000	1	120.8598	1.748	20	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]N[6]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]N[6]C)(O){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[6]N[6])	121.4940	0.000	1	121.4940	0.000	1	120.8598	1.748	20	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(O){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|H<1>,1|S<2>,3|C<3>}	O(C[6]C[6]N[6])	120.1581	0.663	11	120.1581	0.439	11	120.8598	1.748	20	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(O){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH){1|H<1>,1|S<2>,3|C<3>}	O(C[6]C[6]N[6])	121.1160	0.000	1	121.1160	0.000	1	120.8598	1.748	20	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(O){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|S<2>,3|C<3>}	O(C[6]C[6]N[6])	120.2715	0.582	2	120.2715	0.339	2	120.8598	1.748	20	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]S[6]C)(O){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,1|S<2>,3|C<3>}	O(C[6]C[6]N[6])	120.6110	0.000	1	120.6110	0.000	1	120.8598	1.748	20	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5a,6]C)(N[6]C[6]C)(O)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[5a,6]C)(N[6]C[6]C)(O){1|C<3>,1|N<2>,1|O<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	O(C[6]N[6]2)	121.8470	0.130	3	121.8470	0.017	3	121.8470	0.017	3	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O)	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O){1|C<3>,1|N<2>,1|O<2>}	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	O(C[6]N[6]2)	121.9555	0.334	2	121.8175	0.221	4	122.2082	0.929	5	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O)	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O){1|C<4>,1|N<2>,1|O<1>}	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	O(C[6]N[6]2)	122.1670	0.000	1	121.8175	0.221	4	122.2082	0.929	5	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O)	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O){1|C<4>,1|N<2>,1|O<1>}	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3){2|C<3>,3|C<4>}	O(C[6]N[6]2)	121.1920	0.000	1	121.8175	0.221	4	122.2082	0.929	5	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6]C)(N[6]C[6]H)(O)	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6,6]C)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|O<2>}	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	O(C[6]N[6]2)	123.7710	0.000	1	123.7710	0.000	1	122.2082	0.929	5	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)	O(C[6]N[6]2)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	O(C[6]N[6]2)	122.0010	0.051	2	122.0310	0.315	6	122.0310	0.315	6	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)	O(C[6]N[6]2)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O){1|C<4>,1|P<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	O(C[6]N[6]2)	122.0590	0.000	1	122.0310	0.315	6	122.0310	0.315	6	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)	O(C[6]N[6]2)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O){1|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	O(C[6]N[6]2)	121.5850	0.563	2	122.0310	0.315	6	122.0310	0.315	6	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)	O(C[6]N[6]2)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O){2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	O(C[6]N[6]2)	122.9550	0.000	1	122.0310	0.315	6	122.0310	0.315	6	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6]B)(O)	N[6](C[6]C[6]N)(C[6]N[6]O)(BCHH)	O(C[6]N[6]2)	C[6](N[6]C[5]C[6])(N[6]C[6]B)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]O)(BCHH){1|C<3>,1|C<4>,1|H<1>}	O(C[6]N[6]2)	121.8440	0.000	1	121.8440	0.000	1	121.8440	0.000	1	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){4|C<4>}	O(C[6]N[6]2)	120.6520	0.000	1	119.2160	0.266	17	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){1|O<2>,3|C<4>}	O(C[6]N[6]2)	119.3440	0.000	1	119.2160	0.266	17	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>}	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){4|C<4>}	O(C[6]N[6]2)	119.8920	0.000	1	119.2160	0.266	17	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){1|H<1>,3|C<4>}	O(C[6]N[6]2)	119.0546	0.337	13	119.2160	0.266	17	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){4|C<4>}	O(C[6]N[6]2)	119.0740	0.000	1	119.2160	0.266	17	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5,6,6]C)(N[6]C[6]C)(O)	N[6](C[6]C[5,6,6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[5,6,6]C)(N[6]C[6]C)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	N[6](C[6]C[5,6,6]O)(C[6]N[6]O)(CH3){1|N<3>,1|O<2>,2|C<4>}	O(C[6]N[6]2)	118.8950	0.225	2	118.8950	0.051	2	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5,6]C)(N[6]C[6]C)(O)	N[6](C[6]N[6]O)2(CH3)	O(C[6]N[6]2)	C[6](N[6]C[5,6]C)(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]N[6]O)2(CH3){3|C<4>}	O(C[6]N[6]2)	120.5048	0.527	4	120.5048	0.278	4	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|O<2>,3|C<4>}	O(C[6]N[6]2)	120.4640	0.000	1	120.4640	0.000	1	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5a,6]C)(N[6]C[6]C)(O)	N[6](C[6]C[5a,6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[5a,6]C)(N[6]C[6]C)(O){1|C<3>,1|N<2>,1|O<2>}	N[6](C[6]C[5a,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6]N[6]2)	119.9207	0.300	3	119.9207	0.090	3	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O){1|C<3>,1|N<2>,1|O<2>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6]N[6]2)	121.0320	0.313	2	120.9948	0.053	4	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O){1|C<4>,1|N<2>,1|O<1>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	O(C[6]N[6]2)	120.7890	0.000	1	120.9948	0.053	4	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O){1|C<4>,1|N<2>,1|O<1>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	O(C[6]N[6]2)	121.1260	0.000	1	120.9948	0.053	4	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CCCH)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]N[6]2)	121.9270	0.000	1	121.9270	0.000	1	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CCHH)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CCHH){1|C<3>,1|H<1>,2|C<4>}	O(C[6]N[6]2)	121.8420	0.000	1	121.8420	0.000	1	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]N[6]O)(CCHH)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	O(C[6]N[6]2)	121.1585	0.672	2	121.1585	0.452	2	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6]N[6]2)	120.7750	0.768	2	120.7750	0.590	2	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,2|H<1>}	O(C[6]N[6]2)	122.8013	0.847	6	122.8013	0.717	6	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|C<3>,2|H<1>}	O(C[6]N[6]2)	123.6085	0.532	2	123.0990	0.859	5	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|C<3>,2|H<1>}	O(C[6]N[6]2)	122.7593	1.069	3	123.0990	0.859	5	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH){1|H<1>,2|C<3>}	O(C[6]N[6]2)	122.3200	0.000	1	122.3200	0.000	1	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|O<1>,1|S<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	O(C[6]N[6]2)	121.3310	0.000	1	122.0353	0.312	4	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	O(C[6]N[6]2)	121.8700	0.000	1	122.0353	0.312	4	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	O(C[6]N[6]2)	122.4700	0.190	2	122.0353	0.312	4	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]N[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]N[6]C)(O){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,2|N<3>}	O(C[6]N[6]2)	120.0670	0.000	1	120.0670	0.000	1	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[3,6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[3,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	O(C[6]N[6]2)	121.2440	0.225	4	121.2440	0.051	4	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|N<2>,2|C<4>}	O(C[6]N[6]2)	121.1120	0.239	2	121.2763	0.313	22	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	O(C[6]N[6]2)	121.2855	0.684	2	121.2763	0.313	22	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	O(C[6]N[6]2)	121.2628	0.433	6	121.2763	0.313	22	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	O(C[6]N[6]2)	120.8715	1.191	2	121.2763	0.313	22	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>}	O(C[6]N[6]2)	121.3964	0.594	10	121.2763	0.313	22	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	O(C[6]N[6]2)	121.3984	0.452	20	121.3629	0.226	22	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>}	O(C[6]N[6]2)	121.0080	0.768	2	121.3629	0.226	22	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]N)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<3>,1|N<1>,1|O<2>}	N[6](C[6]C[6]N)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6]N[6]2)	121.9290	0.000	1	121.9290	0.000	1	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CC3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CC3){1|C<3>,1|H<1>,2|C<4>}	O(C[6]N[6]2)	122.0450	0.894	2	122.0450	0.799	2	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CCHH){1|C<4>,2|C<3>}	O(C[6]N[6]2)	121.4282	0.139	6	121.4282	0.019	6	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|F<1>,1|H<1>,2|C<4>}	O(C[6]N[6]2)	119.6570	0.000	1	121.2137	0.688	153	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|O<2>,3|C<4>}	O(C[6]N[6]2)	119.3300	0.139	2	121.2137	0.688	153	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	O(C[6]N[6]2)	119.1620	0.000	1	121.2137	0.688	153	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<3>,1|N<1>,1|O<2>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6]N[6]2)	121.5080	0.000	1	121.2137	0.688	153	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	O(C[6]N[6]2)	121.5735	0.204	2	121.2137	0.688	153	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6]N[6]2)	121.2712	0.431	4	121.2137	0.688	153	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>}	O(C[6]N[6]2)	121.4354	0.193	10	121.2137	0.688	153	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	O(C[6]N[6]2)	121.5905	0.540	80	121.2137	0.688	153	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){4|C<4>}	O(C[6]N[6]2)	118.9600	0.000	1	121.2137	0.688	153	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	O(C[6]N[6]2)	120.9451	0.536	7	121.2137	0.688	153	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	O(C[6]N[6]2)	121.1522	0.419	12	121.2137	0.688	153	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|N<3>,2|C<4>}	O(C[6]N[6]2)	121.2158	0.475	5	121.2137	0.688	153	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|N<4>,2|C<4>}	O(C[6]N[6]2)	121.2675	0.227	2	121.2137	0.688	153	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|S<4>,2|C<4>}	O(C[6]N[6]2)	121.2830	0.489	2	121.2137	0.688	153	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	O(C[6]N[6]2)	121.4675	0.037	2	121.2137	0.688	153	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	O(C[6]N[6]2)	121.1107	0.617	3	121.2137	0.688	153	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	O(C[6]N[6]2)	121.1105	0.076	2	121.2137	0.688	153	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	O(C[6]N[6]2)	121.1105	1.067	2	121.2137	0.688	153	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	O(C[6]N[6]2)	121.0745	1.231	2	121.2137	0.688	153	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|F<1>,1|H<1>,2|C<4>}	O(C[6]N[6]2)	119.5210	0.017	2	121.2137	0.688	153	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|H<1>,3|C<4>}	O(C[6]N[6]2)	119.3288	0.760	5	121.2137	0.688	153	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|O<2>,3|C<4>}	O(C[6]N[6]2)	119.5840	0.000	1	121.2137	0.688	153	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	O(C[6]N[6]2)	119.6640	0.542	3	121.2137	0.688	153	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|O<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|F<1>,1|H<1>,2|C<4>}	O(C[6]N[6]2)	119.1740	0.000	1	121.2137	0.688	153	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]N[6]N)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|N<2>,1|N<3>,1|O<1>}	N[6](C[6]N[6]N)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>}	O(C[6]N[6]2)	121.9112	0.252	4	121.9112	0.063	4	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]N[6]O)2(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|N<2>,1|N<3>,1|O<1>}	N[6](C[6]N[6]O)2(CH3){1|C<3>,2|C<4>}	O(C[6]N[6]2)	121.7785	0.379	4	121.7785	0.144	4	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]N[6]Rh)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|Rh<6>,1|N<3>,2|H<1>}	N[6](C[6]N[6]Rh)(C[6]N[6]O)(CH3){3|C<4>}	O(C[6]N[6]2)	121.9640	0.000	1	121.9640	0.000	1	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]Pd)(N[6]C[6]C)(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]Pd)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	O(C[6]N[6]2)	118.9035	0.264	2	119.6716	0.636	5	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]Pd)(N[6]C[6]C)(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]Pd)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Pd<4>,1|C<3>,1|C<4>}	O(C[6]N[6]2)	120.4435	0.322	2	119.6716	0.636	5	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]Pd)(N[6]C[6]C)(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]Pd)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Pd<5>,2|C<4>}	O(C[6]N[6]2)	119.6640	0.000	1	119.6716	0.636	5	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]Pt)(N[6]C[6]C)(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]Pt)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	O(C[6]N[6]2)	120.7980	0.000	1	120.9407	2.013	7	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]Pt)(N[6]C[6]C)(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]Pt)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	O(C[6]N[6]2)	120.9645	1.553	6	120.9407	2.013	7	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]Re)(N[6]C[6]C)(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]Re)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CH3){1|Re<6>,1|C<3>,1|H<1>}	O(C[6]N[6]2)	119.1330	0.000	1	119.1330	0.000	1	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]Zn)(N[6]C[6]C)(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	O(C[6]N[6]2)	C[6](N[6]C[6]Zn)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|Zn<4>,1|C<3>,1|H<1>}	O(C[6]N[6]2)	121.5720	0.000	1	121.5720	0.000	1	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(O)	N[6](C[6]N[6]N)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]N[6]N)(C[6]N[6]O)(CH3){1|H<1>,2|C<3>}	O(C[6]N[6]2)	123.2730	0.000	1	123.2730	0.000	1	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(O)	N[6](C[6]N[6]O)2(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(O){1|Fe<8>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]N[6]O)2(CH3){3|C<3>}	O(C[6]N[6]2)	123.4430	0.068	2	123.4430	0.005	2	121.1621	1.070	290	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]N[6]C)(O)	N[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]N[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]N[6]O)(N[6]C[6]C)(CCHH){1|O<1>,2|C<4>}	O(C[6]N[6]2)	121.6190	0.000	1	121.5400	0.012	2	121.2217	0.681	13	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]N[6]C)(O)	N[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]N[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]N[6]O)(N[6]C[6]C)(CCHH){1|O<1>,2|C<4>}	O(C[6]N[6]2)	121.4610	0.000	1	121.5400	0.012	2	121.2217	0.681	13	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]N[6]C)(O)	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]N[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3){1|O<1>,2|C<4>}	O(C[6]N[6]2)	119.5310	0.000	1	119.5310	0.000	1	121.2217	0.681	13	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|C<3>,1|C<4>}	N[6](C[6]N[6]O)(N[6]C[6]C)(CCCH){1|C<3>,1|C<4>,1|N<2>}	O(C[6]N[6]2)	122.3580	0.000	1	122.3580	0.000	1	121.2217	0.681	13	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](C[6]N[6]O)(N[6]C[6]C)(CH3)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|C<3>,1|C<4>}	N[6](C[6]N[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6]N[6]2)	122.8900	0.000	1	122.8900	0.000	1	121.2217	0.681	13	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|C<4>,2|H<1>}	N[6](C[6]N[6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]N[6]2)	121.0029	0.302	8	121.0029	0.091	8	121.2217	0.681	13	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]N[6]C)(O)	N[6](N[6]C[5,6]H)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]N[6]C)(O){1|C<4>,1|H<1>,1|O<1>}	N[6](N[6]C[5,6]H)(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	O(C[6]N[6]2)	124.0440	0.000	1	124.0440	0.000	1	122.3438	0.975	23	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](N[6]C[6]Co)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|Co<6>,1|C<3>}	N[6](N[6]C[6]Co)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6]N[6]2)	123.1440	0.252	2	123.1440	0.063	2	122.3438	0.975	23	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](N[6]C[6]Cu)(C[6]N[6]O)(CCCH)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|Cu<4>,1|C<3>}	N[6](N[6]C[6]Cu)(C[6]N[6]O)(CCCH){1|C<3>,1|C<4>,1|N<2>}	O(C[6]N[6]2)	122.6770	0.000	1	122.6770	0.000	1	122.3438	0.975	23	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](N[6]C[6]Cu)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|Cu<4>,1|C<3>}	N[6](N[6]C[6]Cu)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6]N[6]2)	121.7245	0.940	2	121.7245	0.883	2	122.3438	0.975	23	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](N[6]C[6]Fe)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|Fe<6>,1|C<3>}	N[6](N[6]C[6]Fe)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6]N[6]2)	122.8500	0.387	4	122.8500	0.150	4	122.3438	0.975	23	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](N[6]C[6]Mn)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|Mn<6>,1|C<3>}	N[6](N[6]C[6]Mn)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6]N[6]2)	122.3900	0.000	1	122.8915	0.503	2	122.3438	0.975	23	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](N[6]C[6]Mn)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){2|Mn<6>,1|C<3>}	N[6](N[6]C[6]Mn)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6]N[6]2)	123.3930	0.000	1	122.8915	0.503	2	122.3438	0.975	23	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](N[6]C[6]Ni)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|Ni<6>,1|C<3>}	N[6](N[6]C[6]Ni)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6]N[6]2)	122.7127	0.179	3	122.7127	0.032	3	122.3438	0.975	23	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](N[6]C[6]Pd)(C[6]N[6]O)(CCCH)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|Pd<4>,1|C<3>}	N[6](N[6]C[6]Pd)(C[6]N[6]O)(CCCH){1|C<3>,1|C<4>,1|N<2>}	O(C[6]N[6]2)	121.3856	1.286	5	121.3856	1.653	5	122.3438	0.975	23	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](N[6]C[6]Pd)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|Pd<4>,1|C<3>}	N[6](N[6]C[6]Pd)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	O(C[6]N[6]2)	121.8050	0.000	1	121.8050	0.000	1	122.3438	0.975	23	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](N[6]C[6]Pt)(C[6]N[6]O)(CCCH)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|Pt<4>,1|C<3>}	N[6](N[6]C[6]Pt)(C[6]N[6]O)(CCCH){1|C<3>,1|C<4>,1|N<2>}	O(C[6]N[6]2)	121.6980	0.284	2	121.6980	0.081	2	122.3438	0.975	23	120.4480	1.614	1090	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:1:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[5a,6]N[6])	122.6905	0.340	2	122.6905	0.116	2	122.3399	0.166	8	121.8899	0.918	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:1:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O){3|C<3>,3|H<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H){1|N<3>,2|C<3>}	O(C[6]C[5a,6]N[6])	122.5330	0.000	1	122.5330	0.000	1	122.3399	0.166	8	121.8899	0.918	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:1:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[5a,6]N[6])	122.1610	0.389	5	122.1610	0.151	5	122.3399	0.166	8	121.8899	0.918	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:1:	3:	C[6,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6,6]N[6])	117.7570	0.000	1	117.7570	0.000	1	117.7570	0.000	1	121.8899	0.918	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,2|C<3>,3|C<4>}	N[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H){2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	122.2950	0.000	1	122.2950	0.000	1	121.8209	0.292	28	121.8899	0.918	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	121.9105	0.050	2	122.1310	0.133	10	121.8209	0.292	28	121.8899	0.918	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H){3|C<3>}	O(C[6]C[6,6a]N[6])	122.5607	0.323	3	122.1310	0.133	10	121.8209	0.292	28	121.8899	0.918	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6,6a]N[6])	121.8080	0.000	1	122.1310	0.133	10	121.8209	0.292	28	121.8899	0.918	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	121.9998	0.231	4	122.1310	0.133	10	121.8209	0.292	28	121.8899	0.918	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|H<1>,3|C<3>}	O(C[6]C[6,6a]N[6])	122.3560	0.000	1	122.4810	0.031	2	121.8209	0.292	28	121.8899	0.918	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	122.6060	0.000	1	122.4810	0.031	2	121.8209	0.292	28	121.8899	0.918	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H){2|C<3>,2|F<1>}	O(C[6]C[6,6a]N[6])	121.6170	0.129	2	121.6170	0.017	2	121.8209	0.292	28	121.8899	0.918	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	O(C[6]C[6,6a]N[6])	121.5209	0.356	8	121.6047	0.130	10	121.8209	0.292	28	121.8899	0.918	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<4>,2|N<2>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	O(C[6]C[6,6a]N[6])	121.9400	0.000	2	121.6047	0.130	10	121.8209	0.292	28	121.8899	0.918	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(H){1|C<4>,2|C<3>}	O(C[6]C[6,6a]N[6])	120.9160	0.000	1	121.3725	0.417	2	121.8209	0.292	28	121.8899	0.918	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(H){3|C<3>}	O(C[6]C[6,6a]N[6])	121.8290	0.000	1	121.3725	0.417	2	121.8209	0.292	28	121.8899	0.918	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]O)(C[6]O[6]CH)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]O)(C[6]O[6]CH)(H){2|C<3>}	O(C[6]C[6,6a]N[6])	120.3910	0.000	1	120.3910	0.000	1	121.8209	0.292	28	121.8899	0.918	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:1:	3:	N[5a,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]H)(O)	N[6](C[6]N[5a,6]O)(C[6]C[6]HH)(H)	O(C[6]N[5a,6]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]N[5a,6]O)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	O(C[6]N[5a,6]N[6])	124.3580	0.000	1	124.3580	0.000	1	124.3580	0.000	1	121.8899	0.918	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:2:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-2:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]C)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CN)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CN){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[5a,6]N[6])	119.9200	0.000	1	119.9200	0.000	1	119.9200	0.000	1	122.6057	3.087	6	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:2:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:O-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]CC)(OH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|H<1>,2|C<3>,3|C<4>}	N[6](C[6]C[6,6a]O)(C[6]C[6]CC)(OH){2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	121.7020	0.000	1	121.7020	0.000	1	122.7062	0.989	4	122.6057	3.087	6	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:2:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:O-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(OC)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(OC){1|C<4>,3|C<3>}	O(C[6]C[6,6a]N[6])	123.5870	0.000	1	123.5870	0.000	1	122.7062	0.989	4	122.6057	3.087	6	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:2:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:O-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(OC)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(OC){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6,6a]N[6])	123.5350	0.000	1	123.5350	0.000	1	122.7062	0.989	4	122.6057	3.087	6	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:2:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:O-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC){1|C<4>,3|C<3>}	O(C[6]C[6,6a]N[6])	122.0010	0.000	1	122.0010	0.000	1	122.7062	0.989	4	122.6057	3.087	6	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:2:	3:	N[5a,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:O-2:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]O)(O)	N[6](C[6]N[5a,6]O)(C[6]C[6]HH)(OC)	O(C[6]N[5a,6]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]O)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]N[5a,6]O)(C[6]C[6]HH)(OC){1|H<1>,3|C<3>}	O(C[6]N[5a,6]N[6])	124.8890	0.000	1	124.8890	0.000	1	124.8890	0.000	1	122.6057	3.087	6	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:3:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]O){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[5a,6]N[6])	123.0705	0.141	2	123.0705	0.020	2	123.0705	0.020	2	120.2601	5.866	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:3:	3:	C[6,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(COO)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6,6]N[6])	121.7375	0.131	2	121.7375	0.017	2	121.7375	0.017	2	120.2601	5.866	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]C[6])(O)	N[6](C[5a]N[5a]S[5a])(C[6]C[6a]N[6]H)(C[6]C[6,6a]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]C[6])(O){1|N<2>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	N[6](C[5a]N[5a]S[5a])(C[6]C[6a]N[6]H)(C[6]C[6,6a]O){1|H<1>,6|C<3>}	O(C[6]C[6,6a]N[6])	120.1160	0.000	1	120.1160	0.000	1	120.1160	0.000	1	120.2601	5.866	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(O)	N[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]C[6]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(O){1|O<1>,2|H<1>,5|C<3>}	N[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]C[6]O){3|O<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	118.6270	0.000	1	118.6270	0.000	1	118.6270	0.000	1	120.2601	5.866	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6,6]-4:N[5a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O)	N[6](C[6]C[6,6a]O)(C[6,6]C[6]3)(N[5a]C[5a]2)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O){1|H<1>,2|C<4>,5|C<3>}	N[6](C[6]C[6,6a]O)(C[6,6]C[6]3)(N[5a]C[5a]2){2|C<4>,5|C<3>,6|H<1>}	O(C[6]C[6,6a]N[6])	122.0635	0.375	2	121.1075	1.280	4	121.1075	1.280	4	120.2601	5.866	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6,6]-4:N[5a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O)	N[6](C[6]C[6,6a]O)(C[6,6]C[6]3)(N[5a]C[5a]2)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[5a])(O){1|N<3>,2|C<4>,5|C<3>}	N[6](C[6]C[6,6a]O)(C[6,6]C[6]3)(N[5a]C[5a]2){2|C<4>,5|C<3>,6|H<1>}	O(C[6]C[6,6a]N[6])	120.1515	0.209	2	121.1075	1.280	4	121.1075	1.280	4	120.2601	5.866	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCO)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	122.2420	0.000	1	122.2420	0.000	1	122.2420	0.000	1	120.2601	5.866	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]N[6]H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]N[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	121.4290	0.000	1	121.4290	0.000	1	121.4290	0.000	1	120.2601	5.866	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:3:	3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]O)(N[6]C[5]C[6])(O)	N[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]O)(N[6]C[5]C[6])(O){1|H<1>,1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[5]C[5]2H)(C[6]C[6]O){3|O<1>,4|C<3>}	O(C[6]C[6]N[6])	122.4890	0.000	1	122.4890	0.000	1	122.4890	0.000	1	120.2601	5.866	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:3:	3:	N[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]O)(O)	N[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]O)(O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6]N[6])	122.9040	0.000	1	122.9040	0.000	1	122.9040	0.000	1	120.2601	5.866	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:3:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]B[6]C)(N[6]C[6]2)(O)	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]B[6]C)(N[6]C[6]2)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O){1|B<4>,2|C<3>,3|C<4>,4|H<1>}	O(C[6]N[6]2)	117.4055	0.324	4	117.4055	0.105	4	117.6235	0.188	12	120.2601	5.866	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:3:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]B[6]C[6])(N[6]C[6]2)(O)	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]B[6]C[6])(N[6]C[6]2)(O){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O){1|B<4>,2|C<3>,3|C<4>,4|H<1>}	O(C[6]N[6]2)	116.9470	0.000	1	116.9470	0.000	1	117.6235	0.188	12	120.2601	5.866	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:3:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]B[6])(N[6]C[6]2)(O)	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]B[6])(N[6]C[6]2)(O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	O(C[6]N[6]2)	117.8447	0.358	7	117.8447	0.128	7	117.6235	0.188	12	120.2601	5.866	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:3:	3:	N[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6]S)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6]S)(O){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<4>,1|I<1>,1|S<4>,2|C<3>,3|H<1>}	O(C[6]N[6]2)	122.2780	0.000	1	122.2780	0.000	1	122.4978	3.890	6	120.2601	5.866	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:3:	3:	N[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])2(O)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O){1|C<4>,3|H<1>,4|C<3>}	O(C[6]N[6]2)	124.8895	0.578	2	124.8895	0.334	2	122.4978	3.890	6	120.2601	5.866	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:3:	3:	N[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])2(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(O){2|C<4>,3|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<4>,3|C<3>,4|H<1>}	O(C[6]N[6]2)	120.5360	0.000	1	120.9767	0.342	3	122.4978	3.890	6	120.2601	5.866	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:3:	3:	N[6]-3:N[6]-3:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])2(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(O){2|C<4>,3|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O){2|H<1>,3|C<3>,3|C<4>}	O(C[6]N[6]2)	121.1970	0.626	2	120.9767	0.342	3	122.4978	3.890	6	120.2601	5.866	32	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[5,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,5,6]C[5])(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[5,6]N[6])	121.5460	0.000	1	121.5460	0.000	1	121.5460	0.000	1	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[5a,6]N[6])	123.3930	0.000	1	123.3930	0.000	1	123.3505	0.004	2	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CH3)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[5a,6]N[6])	123.3080	0.000	1	123.3080	0.000	1	123.3505	0.004	2	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:S-4:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]S)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]CH)(SC[6a]OO)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]S)(O){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[5a,6]O)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[5a,6]N[6])	121.4030	0.000	1	121.4030	0.000	1	121.4030	0.000	1	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[6,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]2)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]HH)(CH3)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]2)(N[6]C[6]C)(O){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6]O)(C[6]N[6]HH)(CH3){1|C<3>,2|C<4>}	O(C[6]C[6,6]N[6])	120.7735	1.033	2	120.7735	1.067	2	120.7735	1.067	2	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CCHH){1|H<1>,3|C<3>}	O(C[6]C[6,6a]N[6])	121.3860	0.481	2	121.3860	0.231	2	122.1097	0.420	17	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CC[6a]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CC[6a]HH){1|H<1>,3|C<3>}	O(C[6]C[6,6a]N[6])	121.6000	0.000	1	121.6000	0.000	1	122.1097	0.420	17	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>}	O(C[6]C[6,6a]N[6])	122.3970	0.000	1	122.3970	0.000	1	122.1097	0.420	17	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>}	O(C[6]C[6,6a]N[6])	122.8780	0.000	1	122.8780	0.000	1	122.1097	0.420	17	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6,6a]N[6])	122.3170	0.000	1	122.0588	0.044	4	122.1097	0.420	17	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	O(C[6]C[6,6a]N[6])	121.8300	0.000	1	122.0588	0.044	4	122.1097	0.420	17	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	121.9680	0.000	1	122.0588	0.044	4	122.1097	0.420	17	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){3|C<3>,3|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){3|C<3>}	O(C[6]C[6,6a]N[6])	122.1200	0.000	1	122.0588	0.044	4	122.1097	0.420	17	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HS)(CC[6a]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HS)(CC[6a]HH){1|C<4>,3|C<3>}	O(C[6]C[6,6a]N[6])	122.2620	0.000	1	122.2620	0.000	1	122.1097	0.420	17	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[5a]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|N<3>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[5a]HH){1|H<1>,2|C<3>}	O(C[6]C[6,6a]N[6])	121.5540	0.000	1	121.5540	0.000	1	122.1097	0.420	17	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|N<3>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH){1|H<1>,2|C<3>}	O(C[6]C[6,6a]N[6])	121.9075	0.099	4	121.9075	0.010	4	122.1097	0.420	17	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|N<3>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3){1|S<4>,2|C<3>}	O(C[6]C[6,6a]N[6])	122.5100	0.000	1	122.5100	0.000	1	122.1097	0.420	17	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	124.0270	0.000	1	124.0270	0.000	1	122.1097	0.420	17	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:S-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(SC[6a]OO)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(SC[6a]OO){2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	120.8500	0.000	1	120.6540	0.077	2	119.9718	3.954	4	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:S-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(SC[6a]OO)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(SC[6a]OO){2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6])	120.4580	0.000	1	120.6540	0.077	2	119.9718	3.954	4	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:S-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(SC[6a]OO)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,3|C<3>}	O(C[6]C[6,6a]N[6])	119.2895	3.150	2	119.2895	9.924	2	119.9718	3.954	4	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:S[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(O)	N[6](C[6]C[6,6a]O)(S[6]N[6]OO)(CCCH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6](C[6]C[6,6a]O)(S[6]N[6]OO)(CCCH){1|H<1>,2|C<3>}	O(C[6]C[6,6a]N[6])	120.1790	0.000	1	120.1790	0.000	1	120.1790	0.000	1	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	N[6,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(O)	N[6](C[6]N[6,6]O)(C[6]C[6]HH)(CH3)	O(C[6]N[6,6]N[6])	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(O){1|C<4>,2|N<3>,5|H<1>}	N[6](C[6]N[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	O(C[6]N[6,6]N[6])	122.8700	0.000	1	122.8700	0.000	1	124.1367	1.554	3	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	N[6,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O)	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	O(C[6]N[6,6]N[6])	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	O(C[6]N[6,6]N[6])	125.3620	0.000	1	124.7700	0.701	2	124.1367	1.554	3	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	N[6,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O)	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	O(C[6]N[6,6]N[6])	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	O(C[6]N[6,6]N[6])	124.1780	0.000	1	124.7700	0.701	2	124.1367	1.554	3	121.9206	2.115	31	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[5,6]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6]2N[6])(C[6]C[5,6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,4|C<4>}	N[6](C[6,6]C[6]2N[6])(C[6]C[5,6]O)(H){1|C<3>,3|C<4>,5|H<1>}	O(C[6]C[5,6]N[6])	121.0620	0.000	1	121.0620	0.000	1	121.0620	0.000	1	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[5a,6]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[5,6]H)(O)	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]O)(H)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]O)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	O(C[6]C[5a,6]N[6])	121.5255	0.841	4	121.5255	0.707	4	121.5255	0.707	4	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5a,6]O)(H)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5a,6]O)(H){1|N<3>,4|C<3>}	O(C[6]C[5a,6]N[6])	123.5910	0.000	1	123.5910	0.000	1	123.5910	0.000	1	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[3,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O)	N[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6,6a]N[6])	121.1890	0.000	1	121.1890	0.000	1	121.0396	0.157	5	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[3,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O)	N[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O){1|H<1>,2|C<4>,3|C<3>}	N[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H){3|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.0023	0.447	4	121.0023	0.200	4	121.0396	0.157	5	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6]H)(O)	N[6](C[4,6]C[3,6]C[4]2)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6]H)(O){1|H<1>,2|C<3>,3|C<4>}	N[6](C[4,6]C[3,6]C[4]2)(C[6]C[6,6a]O)(H){2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6a]N[6])	122.0825	0.053	2	122.0825	0.003	2	122.0825	0.003	2	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[6])	120.8580	0.000	1	121.1335	0.152	2	121.4375	0.196	4	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[6])	121.4090	0.000	1	121.1335	0.152	2	121.4375	0.196	4	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O)	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6]C[6,6a]O)(H){1|H<1>,2|C<3>,6|C<4>}	O(C[6]C[6,6a]N[6])	121.7415	0.257	2	121.7415	0.066	2	121.4375	0.196	4	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6])	122.2620	0.000	1	122.2590	0.000	2	121.8434	0.115	10	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H){3|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	122.2560	0.000	1	122.2590	0.000	2	121.8434	0.115	10	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6a]N[6])	121.7510	0.000	2	121.5300	0.066	4	121.8434	0.115	10	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6a]N[6])	121.3090	0.057	2	121.5300	0.066	4	121.8434	0.115	10	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	121.9495	0.029	2	121.9495	0.001	2	121.8434	0.115	10	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O)	N[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]H)(O){1|H<1>,1|N<3>,4|C<3>}	N[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6a]O)(H){7|C<3>}	O(C[6]C[6,6a]N[6])	122.1060	0.000	1	122.1060	0.000	1	121.8434	0.115	10	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[5,6]H)(O)	N[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[5,6]H)(O){1|H<1>,2|C<3>,2|C<4>}	N[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6,6a]O)(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	121.7910	0.000	1	121.7910	0.000	1	121.8434	0.115	10	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	121.0640	0.000	1	121.0640	0.000	1	121.8334	0.599	24	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,3|C<3>}	N[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|N<3>,3|C<3>}	O(C[6]C[6,6a]N[6])	122.9680	0.000	1	122.9680	0.000	1	121.8334	0.599	24	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]N[6])	121.0740	0.382	4	121.2179	0.211	8	121.8334	0.599	24	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]N[6])	121.0725	0.135	2	121.2179	0.211	8	121.8334	0.599	24	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	121.1400	0.000	1	121.2179	0.211	8	121.8334	0.599	24	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	122.1620	0.000	1	121.2179	0.211	8	121.8334	0.599	24	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	122.3395	0.401	2	122.2987	0.085	3	121.8334	0.599	24	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]O)(H){1|H<1>,5|C<3>}	O(C[6]C[6,6a]N[6])	122.2170	0.000	1	122.2987	0.085	3	121.8334	0.599	24	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(H){5|C<3>}	O(C[6]C[6,6a]N[6])	123.0450	0.378	2	123.0450	0.143	2	121.8334	0.599	24	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6a]N[6])	122.0700	0.000	2	121.7679	0.386	7	121.8334	0.599	24	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6a]N[6])	122.3970	0.192	2	121.7679	0.386	7	121.8334	0.599	24	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6a]N[6])	120.9630	0.000	1	121.7679	0.386	7	121.8334	0.599	24	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<3>,1|S<2>,2|C<3>,2|C<4>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6a]N[6])	121.4620	0.000	1	121.7679	0.386	7	121.8334	0.599	24	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|N<3>,2|C<3>,3|C<4>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6a]N[6])	121.0160	0.000	1	121.7679	0.386	7	121.8334	0.599	24	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]N[6])	122.8970	0.000	1	122.8970	0.000	1	121.8334	0.599	24	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6]N[6]2)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	N[6](C[6,6]C[6]N[6]2)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.9690	0.000	1	121.9690	0.000	1	121.8334	0.599	24	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[3,6]C[6a]H)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[3,6]C[6a]H)(C[6]C[6,6a]O)(H){2|C<4>,4|C<3>}	O(C[6]C[6,6a]N[6])	122.0495	0.070	2	122.0495	0.005	2	121.7573	0.601	23	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]O)(H){1|O<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.4380	0.000	1	121.4380	0.000	1	121.7573	0.601	23	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H){2|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	122.5387	0.441	4	122.5387	0.194	4	121.7573	0.601	23	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.1823	0.720	3	121.1823	0.519	3	121.7573	0.601	23	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|N<3>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|C<4>,4|C<3>}	O(C[6]C[6,6a]N[6])	122.4097	0.638	3	121.6292	0.640	13	121.7573	0.601	23	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|N<3>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.3951	0.706	10	121.6292	0.640	13	121.7573	0.601	23	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Br)(N[6]C[6]H)(O)	N[6](C[6]N[6]CH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]Br)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]N[6]CH)(C[6]C[6]O)(H){1|Br<1>,2|C<3>}	O(C[6]C[6]N[6])	123.1140	0.000	1	123.1140	0.000	1	123.0981	3.102	17	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]CC)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,3|C<4>}	N[6](C[6]C[6]CC)(C[6]C[6]O)(H){1|C<2>,1|C<3>,2|H<1>}	O(C[6]C[6]N[6])	123.7730	0.000	1	123.7730	0.000	1	123.0981	3.102	17	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]N[6]CH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]N[6]CH)(C[6]C[6]O)(H){1|C<2>,2|C<3>}	O(C[6]C[6]N[6])	122.2873	2.331	3	122.2873	5.432	3	123.0981	3.102	17	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H){1|H<1>,4|C<3>}	O(C[6]C[6]N[6])	122.1410	0.983	2	122.1410	0.966	2	123.0981	3.102	17	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]S)(N[6]C[6]H)(O)	N[6](C[6]C[5a]C[6a]C[6])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]S)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>}	N[6](C[6]C[5a]C[6a]C[6])(C[6]C[6]O)(H){1|S<2>,2|H<1>,5|C<3>}	O(C[6]C[6]N[6])	118.7210	0.000	1	118.7210	0.000	1	123.0981	3.102	17	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	122.5460	0.069	2	122.5460	0.005	2	123.0981	3.102	17	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]O)(N[6]C[6]H)(O){2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	124.7280	0.000	1	124.7280	0.000	1	123.0981	3.102	17	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]O)(N[6]C[6]H)(O){1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	124.8490	0.000	1	124.2940	0.499	4	123.0981	3.102	17	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]O)(N[6]C[6]H)(O){1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	124.2110	1.011	2	124.2940	0.499	4	123.0981	3.102	17	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]O)(N[6]C[6]H)(O){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	123.9050	0.000	1	124.2940	0.499	4	123.0981	3.102	17	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]O)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[6]N[6])	124.4595	0.441	2	124.4595	0.194	2	123.0981	3.102	17	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6]-3:N[6]-3:O-1:	S[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]S[6]H)(O)	N[6](S[6]O[6]OO)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]S[6]H)(O){1|C<4>,1|O<2>,2|O<1>}	N[6](S[6]O[6]OO)(C[6]C[6]O)(H){1|C<3>,1|H<1>}	O(C[6]C[6]N[6])	119.1527	0.964	3	119.1527	0.929	3	119.1527	0.929	3	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6,6]-3:N[6]-3:O-1:	S[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6,6]C[3x6]C[6])(N[6]S[6]H)(O)	N[6](S[6]N[6,6]OO)(C[6]N[6,6]O)(H)	O(C[6]N[6,6]N[6])	C[6](N[6,6]C[3x6]C[6])(N[6]S[6]H)(O){1|N<3>,2|H<1>,2|O<1>,3|C<4>}	N[6](S[6]N[6,6]OO)(C[6]N[6,6]O)(H){3|C<4>}	O(C[6]N[6,6]N[6])	118.7640	0.000	1	118.7640	0.000	1	118.7640	0.000	1	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:C[6]-3:O-1:	C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[4,6]H)(C[6]C[6]C)(O)	N[6](C[4,6]C[4]2S[6])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[4,6]H)(C[6]C[6]C)(O){1|N<3>,1|S<2>,2|C<4>}	N[6](C[4,6]C[4]2S[6])(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6]N[6])	121.1140	0.000	1	121.1140	0.000	1	121.5420	0.313	4	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:C[6]-3:O-1:	C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[4,6]H)(C[6]C[6]H)(O)	N[6](C[4,6]C[4,6]2H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[4,6]H)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	N[6](C[4,6]C[4,6]2H)(C[6]C[6]O)(H){1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[6]N[6])	121.3160	0.000	1	121.6847	0.347	3	121.5420	0.313	4	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:C[6]-3:O-1:	C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[4,6]H)(C[6]C[6]H)(O)	N[6](C[4,6]C[4,6]2H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[4,6]H)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	N[6](C[4,6]C[4,6]2H)(C[6]C[6]O)(H){2|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]N[6])	121.8690	0.700	2	121.6847	0.347	3	121.5420	0.313	4	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6]H)(C[6]N[6]C)(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	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>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6]N[6])	121.2465	0.880	2	121.2465	0.775	2	121.2465	0.775	2	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6]H)(C[6]C[6]H)(O)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H){1|H<1>,4|C<3>}	O(C[6]C[6]N[6])	123.1900	0.000	1	123.1900	0.000	1	122.9577	2.919	3	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6]H)(C[6]C[6]H)(O)	N[6](C[6,6]C[6]N[6]2)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|N<3>}	N[6](C[6,6]C[6]N[6]2)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6]N[6])	121.1450	0.000	1	121.1450	0.000	1	122.9577	2.919	3	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6]H)(C[6]N[6]O)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6]H)(C[6]N[6]O)(O){2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[6]N[6])	124.5380	0.000	1	124.5380	0.000	1	122.9577	2.919	3	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O)	N[6](C[4,6]C[4,6]2H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[4,6]C[4,6]2H)(C[6]N[6]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(C[6]N[6]2)	123.1300	0.000	1	123.1300	0.000	1	123.4203	0.190	3	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O)	N[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]O)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	O(C[6]N[6]2)	123.5655	0.504	2	123.5655	0.254	2	123.4203	0.190	3	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6,6]H)(N[6]C[6]H)(O)	N[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[5,6,6]H)(N[6]C[6]H)(O){1|O<1>,3|C<4>}	N[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]N[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	O(C[6]N[6]2)	124.7940	0.000	1	124.7940	0.000	1	124.7940	0.000	1	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6]H)(N[6]C[6]H)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[5,6]H)(N[6]C[6]H)(O){1|C<4>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O(C[6]N[6]2)	123.2510	0.000	1	123.2510	0.000	1	123.2510	0.000	1	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6]H)(N[6]C[6]H)(O)	N[6](C[6,6]C[6,6]C[6a]N[6])(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6,6]H)(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6]C[6,6]C[6a]N[6])(C[6]N[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	O(C[6]N[6]2)	121.1490	0.057	2	121.1490	0.003	2	121.2703	0.077	4	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6]H)2(O)	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6,6]H)2(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]N[6]2)	121.1020	0.000	1	121.1020	0.000	1	121.2703	0.077	4	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6]H)2(O)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6,6]H)2(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]N[6]2)	121.6810	0.000	1	121.6810	0.000	1	121.2703	0.077	4	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6,6]H)(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]N[6]2)	121.3595	0.023	2	121.3595	0.001	2	122.5097	2.307	86	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O){1|C<4>,3|C<3>}	N[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	O(C[6]N[6]2)	121.1600	0.000	1	121.1600	0.000	1	122.5097	2.307	86	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]CO)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>}	N[6](C[6]C[6,6a]CO)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	O(C[6]N[6]2)	120.3810	0.498	2	120.3810	0.248	2	122.5097	2.307	86	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]CP)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O){1|C<4>,1|P<4>,2|C<3>}	N[6](C[6]C[6,6a]CP)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	O(C[6]N[6]2)	120.5300	0.000	1	120.5300	0.000	1	122.5097	2.307	86	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O){1|C<4>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	O(C[6]N[6]2)	120.5900	0.000	1	120.5900	0.000	1	122.5097	2.307	86	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	O(C[6]N[6]2)	121.9220	0.000	1	121.9220	0.000	1	122.5097	2.307	86	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	O(C[6]N[6]2)	121.0860	0.000	1	121.0860	0.000	1	122.5097	2.307	86	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	O(C[6]N[6]2)	123.1917	0.402	3	123.1917	0.162	3	122.5097	2.307	86	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]N[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]N[6]H)(O){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[6]N[6]2)	123.5370	0.000	1	123.5370	0.000	1	122.5097	2.307	86	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[5a]C[6]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6]N[6]O)(H){1|H<1>,1|O<2>,3|C<3>}	O(C[6]N[6]2)	123.8390	0.000	1	123.2675	0.653	2	122.5097	2.307	86	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[5a]C[6]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	O(C[6]N[6]2)	122.6960	0.000	1	123.2675	0.653	2	122.5097	2.307	86	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	O(C[6]N[6]2)	124.1340	0.033	2	122.5542	3.330	4	122.5097	2.307	86	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(H){1|C<4>,3|H<1>}	O(C[6]N[6]2)	120.9745	0.078	2	122.5542	3.330	4	122.5097	2.307	86	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]CO)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6]CO)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]N[6]2)	120.3440	0.622	10	120.3440	0.387	10	122.5097	2.307	86	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]DyO)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|Dy<21>,1|C<4>,1|O<1>,1|O<2>}	N[6](C[6]C[6]DyO)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	O(C[6]N[6]2)	120.6110	0.399	3	120.6110	0.159	3	122.5097	2.307	86	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]HH)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]O)(H){1|C<4>,3|H<1>}	O(C[6]N[6]2)	120.5570	0.000	1	120.5570	0.000	1	122.5097	2.307	86	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]HO)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]C[6]HO)(C[6]N[6]O)(H){2|Cl<1>,1|C<3>,1|H<1>}	O(C[6]N[6]2)	123.5670	0.000	1	123.5670	0.000	1	122.5097	2.307	86	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]N[6]2)	121.5899	0.940	12	123.2270	1.266	52	122.5097	2.307	86	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	O(C[6]N[6]2)	123.5869	0.487	33	123.2270	1.266	52	122.5097	2.307	86	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	O(C[6]N[6]2)	124.4248	0.613	6	123.2270	1.266	52	122.5097	2.307	86	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	O(C[6]N[6]2)	123.8070	0.000	1	123.2270	1.266	52	122.5097	2.307	86	122.1827	1.984	199	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:2:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:N-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|N<3>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC){1|H<1>,1|N<2>,3|C<3>}	O(C[6]C[6,6a]N[6])	122.0040	0.000	1	119.4500	13.046	2	119.4500	13.046	2	121.9738	6.552	6	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:2:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:N-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|N<3>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC){1|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	116.8960	0.000	1	119.4500	13.046	2	119.4500	13.046	2	121.9738	6.552	6	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:2:	3:	N[6]-3:N[6]-3:O-1:	C[3x6]-4:C[6]-3:Ge[6]-2:	C[6]-3:	C[6](N[6]C[3x6]Ge[6])(N[6]C[6a]B[6])(O)	N[6](C[3x6]C[6,6]3)(C[6]N[6]O)(Ge[6]N[6])	O(C[6]N[6]2)	C[6](N[6]C[3x6]Ge[6])(N[6]C[6a]B[6])(O){2|C<3>,2|N<3>,3|C<4>}	N[6](C[3x6]C[6,6]3)(C[6]N[6]O)(Ge[6]N[6]){1|B<3>,2|C<3>,3|C<4>,6|H<1>}	O(C[6]N[6]2)	122.9350	0.000	1	122.9350	0.000	1	122.9350	0.000	1	121.9738	6.552	6	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:2:	3:	N[6]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:O-2:	C[6]-3:	C[6](N[6]C[5,6]O)(N[6]C[6]O)(O)	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]O)(OC)	O(C[6]N[6]2)	C[6](N[6]C[5,6]O)(N[6]C[6]O)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]N[6]2)	122.8350	0.000	1	122.8350	0.000	1	122.8350	0.000	1	121.9738	6.552	6	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:2:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:N-2:	C[6]-3:	C[6](N[6]C[6]N)(N[6]N[6]H)(O)	N[6](C[6]C[6]HH)(C[6]N[6]O)(NC)	O(C[6]N[6]2)	C[6](N[6]C[6]N)(N[6]N[6]H)(O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]O)(NC){1|C<4>,1|H<1>,1|N<2>}	O(C[6]N[6]2)	123.5865	0.330	2	123.5865	0.109	2	123.5865	0.109	2	121.9738	6.552	6	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[5,6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	O(C[6]C[5,6]N[6])	122.1100	0.000	1	121.4747	0.334	3	121.4747	0.334	3	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[5,6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	O(C[6]C[5,6]N[6])	120.9800	0.000	1	121.4747	0.334	3	121.4747	0.334	3	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[5,6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5])(N[6]C[6a]C[6])(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){2|H<1>,3|C<4>,5|C<3>}	O(C[6]C[5,6]N[6])	121.3340	0.000	1	121.4747	0.334	3	121.4747	0.334	3	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]C)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]O)(COO)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]C)(O){1|C<4>,1|N<3>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]O)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	O(C[6]C[5a,6]N[6])	122.7080	0.000	1	122.7080	0.000	1	122.7080	0.000	1	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[5a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	O(C[6]C[5a,6]N[6])	121.9450	0.000	1	121.9450	0.000	1	121.0917	0.549	3	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	O(C[6]C[5a,6]N[6])	120.6650	0.071	2	120.6650	0.005	2	121.0917	0.549	3	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(O)	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(O){1|H<1>,1|N<3>,6|C<3>}	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<2>,2|H<1>,2|O<1>,6|C<3>}	O(C[6]C[6,6a]N[6])	121.1720	0.000	1	121.1720	0.000	1	121.1720	0.000	1	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(CCO)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(CCO){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]N[6])	121.3687	0.359	3	121.4753	0.131	4	121.4753	0.131	4	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(CCO)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(CCO){2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6])	121.7950	0.000	1	121.4753	0.131	4	121.4753	0.131	4	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:N-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N)(O)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(NC[6a]H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N)(O){1|N<3>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(NC[6a]H){5|C<3>}	O(C[6]C[6,6a]N[6])	122.9330	0.707	2	122.9330	0.500	2	122.9330	0.500	2	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]C[6])(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[5a]N[5a]2)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a]C[6])(O){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[5a]N[5a]2){2|H<1>,6|C<3>}	O(C[6]C[6,6a]N[6])	121.0290	0.000	1	121.0290	0.000	1	121.0290	0.000	1	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[5a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|N<3>,2|H<1>,5|C<3>}	N[6](C[6]C[5a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<2>,3|H<1>,5|C<3>}	O(C[6]C[6,6a]N[6])	122.3190	0.000	1	122.3190	0.000	1	121.5776	0.323	11	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|F<1>,2|H<1>,7|C<3>}	O(C[6]C[6,6a]N[6])	120.6950	0.000	1	120.6950	0.000	1	121.5776	0.323	11	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	O(C[6]C[6,6a]N[6])	122.0760	0.000	1	121.5933	0.238	9	121.5776	0.323	11	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|S<2>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	O(C[6]C[6,6a]N[6])	121.3634	0.071	7	121.5933	0.238	9	121.5776	0.323	11	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(O){1|S<3>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	O(C[6]C[6,6a]N[6])	122.7200	0.000	1	121.5933	0.238	9	121.5776	0.323	11	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:N-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	N[6](C[6]C[3]N[6]H)(C[6]C[6,6a]O)(NC[6a]H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[3]N[6]H)(C[6]C[6,6a]O)(NC[6a]H){1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[6,6a]N[6])	122.2850	0.000	1	122.2850	0.000	1	121.6985	0.688	2	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:N-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	N[6](C[6]C[5]N[6]H)(C[6]C[6,6a]O)(NFeC)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|N<3>,2|H<1>,3|C<3>}	N[6](C[6]C[5]N[6]H)(C[6]C[6,6a]O)(NFeC){1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[6,6a]N[6])	121.1120	0.000	1	121.1120	0.000	1	121.6985	0.688	2	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O){1|C<3>,3|H<1>}	O(C[6]C[6]N[6])	121.0390	0.000	1	121.0390	0.000	1	122.0156	2.382	8	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<3>,3|H<1>}	O(C[6]C[6]N[6])	123.8690	0.000	1	121.9617	3.024	3	122.0156	2.382	8	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<3>,3|H<1>}	O(C[6]C[6]N[6])	121.0080	0.769	2	121.9617	3.024	3	122.0156	2.382	8	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(CCO)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O){1|C<4>,1|O<2>,4|C<3>}	N[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(CCO){4|C<3>}	O(C[6]C[6]N[6])	119.9210	0.000	1	119.9210	0.000	1	122.0156	2.382	8	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]N[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCO)	O(C[6]C[6]N[6])	C[6](C[6]N[6]C)(N[6]C[6]C)(O){1|C<3>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCO){1|C<3>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	122.7500	1.042	2	122.7500	1.086	2	122.0156	2.382	8	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CNO)	O(C[6]C[6]N[6])	C[6](C[6]N[6]O)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CNO){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	123.7800	0.000	1	123.7800	0.000	1	122.0156	2.382	8	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6]O[6]C)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(O){1|O<2>,2|C<4>,5|C<3>}	N[6](C[6]C[6]O[6]C)(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,1|S<2>,6|C<3>}	O(C[6]C[6]N[6])	120.6800	0.000	1	120.6800	0.000	1	120.6800	0.000	1	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:O-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(O)	N[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(O){1|C<4>,2|H<1>,4|C<3>}	N[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	O(C[6]C[6]N[6])	120.5435	0.037	2	120.5435	0.001	2	120.5435	0.001	2	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){4|H<1>,6|C<3>}	O(C[6]C[6]N[6])	121.4125	0.049	2	121.4125	0.002	2	122.1157	1.485	3	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]N[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]N[6]C)(O){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	O(C[6]C[6]N[6])	123.5220	0.000	1	123.5220	0.000	1	122.1157	1.485	3	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:C[6]-3:O-1:	P[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(O)	N[6](P[6]O[6]ClO)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(O){1|Cl<1>,1|C<4>,1|O<1>,1|O<2>,2|C<3>}	N[6](P[6]O[6]ClO)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]N[6])	118.8760	0.000	1	118.8760	0.000	1	118.8760	0.000	1	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:N[6]-3:O-1:	B[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]B[6])(N[6]C[6]2)(O)	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]B[6])(N[6]C[6]2)(O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,2|H<1>,7|C<3>}	O(C[6]N[6]2)	128.3957	0.521	7	128.3957	0.271	7	128.5677	0.469	8	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:N[6]-3:O-1:	B[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]B[6])(N[6]C[6a]C[6])(O)	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]B[6])(N[6]C[6a]C[6])(O){1|O<2>,7|C<3>}	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O){2|H<1>,8|C<3>}	O(C[6]N[6]2)	129.7720	0.000	1	129.7720	0.000	1	128.5677	0.469	8	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5,6]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[5,6]C[3x5,6]N[5,6]C)(C[6a]C[6a]2)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[5,6]C[6a])(N[6]C[6a]C[6])(O){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	N[6](C[5,6]C[3x5,6]N[5,6]C)(C[6a]C[6a]2)(C[6]N[6]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	O(C[6]N[6]2)	124.0270	0.000	1	124.0270	0.000	1	124.3783	0.195	3	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5,6]C[6a])(N[6]C[6a]C[6])(O)	N[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[5,6]C[6a])(N[6]C[6a]C[6])(O){1|N<3>,7|C<3>}	N[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]N[6]O){2|H<1>,9|C<3>}	O(C[6]N[6]2)	124.5540	0.453	2	124.5540	0.205	2	124.3783	0.195	3	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6]B)(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[5]C[6])(N[6]C[6]B)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	O(C[6]N[6]2)	120.3270	0.000	1	120.3270	0.000	1	122.2207	1.119	34	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	O(C[6]N[6]2)	122.3965	0.715	24	122.4018	0.551	32	122.2207	1.119	34	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]N[6]2)	124.1680	0.000	1	122.4018	0.551	32	122.2207	1.119	34	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	O(C[6]N[6]2)	122.2635	1.115	2	122.4018	0.551	32	122.2207	1.119	34	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	O(C[6]N[6]2)	122.1292	0.367	5	122.4018	0.551	32	122.2207	1.119	34	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6]Os)(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[5]C[6])(N[6]C[6]Os)(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|Os<8>,3|C<4>,3|H<1>}	O(C[6]N[6]2)	118.3190	0.000	1	118.3190	0.000	1	122.2207	1.119	34	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O)	N[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]O)(CCH)	O(C[6]N[6]2)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O){1|C<4>,1|N<3>,3|H<1>}	N[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]O)(CCH){3|C<3>,3|C<4>}	O(C[6]N[6]2)	121.5960	0.000	1	121.5960	0.000	1	121.5960	0.000	1	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6]C[6a])(N[6]C[6]S)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6,6]C[6a])(N[6]C[6]S)(O){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	O(C[6]N[6]2)	123.3630	0.000	1	123.3630	0.000	1	123.3630	0.000	1	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CNO)	O(C[6]N[6]2)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(O){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CNO){1|H<1>,2|C<3>}	O(C[6]N[6]2)	123.4140	0.000	1	123.4140	0.000	1	123.1388	3.597	4	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCH)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCH){1|H<1>,4|C<3>}	O(C[6]N[6]2)	123.2810	0.000	1	123.2810	0.000	1	123.1388	3.597	4	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCO)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCO){1|H<1>,4|C<3>}	O(C[6]N[6]2)	125.2330	0.000	1	125.2330	0.000	1	123.1388	3.597	4	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]HH)(C[6]N[6]O)(CC[5a]H)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]N[6]2)	120.6270	0.000	1	120.6270	0.000	1	123.1388	3.597	4	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6]2)2(O)	N[6](C[6]C[6]2H)(C[6]N[6]O)(C[6]P[6]N)	O(C[6]N[6]2)	C[6](N[6]C[6]2)2(O){1|P<3>,2|H<1>,2|N<2>,4|C<4>}	N[6](C[6]C[6]2H)(C[6]N[6]O)(C[6]P[6]N){1|Cu<2>,1|C<3>,3|C<4>,4|H<1>}	O(C[6]N[6]2)	120.2410	0.595	2	120.2410	0.354	2	120.2410	0.354	2	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	O(C[6]N[6]2)	123.2025	0.228	2	123.2025	0.052	2	122.3642	0.633	10	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O)	N[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O){1|O<2>,5|C<3>}	N[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	O(C[6]N[6]2)	122.2915	0.036	2	122.2915	0.001	2	122.3642	0.633	10	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(O){2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	O(C[6]N[6]2)	122.4655	0.578	2	122.4655	0.334	2	122.3642	0.633	10	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])2(O)	N[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(O){2|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O){1|Fe<10>,3|C<3>,3|C<4>,4|H<1>}	O(C[6]N[6]2)	122.2797	0.911	3	122.2797	0.830	3	122.3642	0.633	10	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])2(O)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(O){2|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,6|C<3>}	O(C[6]N[6]2)	120.8840	0.000	1	120.8840	0.000	1	122.3642	0.633	10	122.5194	4.378	106	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(CCHH)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(CCHH){1|H<1>,1|N<3>,4|C<3>}	O(C[6]C[5a,6]N[6])	121.5300	0.599	3	121.5300	0.359	3	121.5300	0.359	3	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5,3x6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,3x6]C)(O)	N[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6,6a]O)(CC[6a]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,3x6]C)(O){1|C<4>,1|H<1>,4|C<3>}	N[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6,6a]O)(CC[6a]HH){8|C<3>}	O(C[6]C[6,6a]N[6])	121.3280	0.000	1	121.3280	0.000	1	121.3280	0.000	1	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|S<2>,4|C<3>}	O(C[6]C[6,6a]N[6])	122.5230	0.000	1	122.5230	0.000	1	121.4230	0.556	8	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6,6a]O)(CH3)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6,6a]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]N[6])	120.5050	0.000	1	120.5050	0.000	1	121.4230	0.556	8	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(CC[5a]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(CC[5a]HH){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[6,6a]N[6])	120.6000	0.000	1	120.6000	0.000	1	121.4230	0.556	8	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]O)(CC[6a]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|C<4>,1|H<1>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]N[6])	120.8500	0.000	1	120.8500	0.000	1	121.4230	0.556	8	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,5|C<3>}	O(C[6]C[6,6a]N[6])	122.2840	0.000	1	122.2840	0.000	1	121.4230	0.556	8	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CC[6a]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|C<4>,1|H<1>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.6055	0.161	2	121.6055	0.026	2	121.4230	0.556	8	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	N[6](C[5,6]C[6]O[5]2)(C[6]C[6,6a]O)(CH3)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|H<1>,2|O<2>,3|C<3>}	N[6](C[5,6]C[6]O[5]2)(C[6]C[6,6a]O)(CH3){1|O<1>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]N[6])	121.4110	0.000	1	121.4110	0.000	1	121.4230	0.556	8	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6]C[6,6a]N[6])	122.8310	0.000	1	122.8310	0.000	1	122.5940	0.031	4	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){1|N<3>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,4|C<3>}	O(C[6]C[6,6a]N[6])	122.5700	0.035	2	122.5700	0.001	2	122.5940	0.031	4	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O)	N[6](C[6,6]C[6,6a]N[6,6]O)(C[6]C[6,6a]O)(CH3)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(O){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]O)(C[6]C[6,6a]O)(CH3){5|C<3>}	O(C[6]C[6,6a]N[6])	122.4050	0.000	1	122.4050	0.000	1	122.5940	0.031	4	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	O(C[6]C[6,6a]N[6])	122.0450	0.000	1	122.4063	0.109	3	121.6692	0.475	13	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH){1|H<1>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]N[6])	122.5870	0.148	2	122.4063	0.109	3	121.6692	0.475	13	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCCH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCCH){1|H<1>,5|C<3>}	O(C[6]C[6,6a]N[6])	121.2670	0.000	1	121.2670	0.000	1	121.6692	0.475	13	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH){1|H<1>,1|N<2>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.0475	0.168	2	120.7683	0.248	3	121.6692	0.475	13	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH){1|H<1>,5|C<3>}	O(C[6]C[6,6a]N[6])	120.2100	0.000	1	120.7683	0.248	3	121.6692	0.475	13	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3){1|H<1>,5|C<3>}	O(C[6]C[6,6a]N[6])	121.9603	0.355	4	121.9603	0.126	4	121.6692	0.475	13	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]N)(C[6]C[6,6a]O)(CC[6a]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6]C[6a]C[6]N)(C[6]C[6,6a]O)(CC[6a]HH){1|O<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	121.5335	0.083	2	121.5335	0.007	2	121.6692	0.475	13	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(SCOO)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(SCOO){1|H<1>,5|C<3>}	O(C[6]C[6,6a]N[6])	121.5120	0.000	1	121.5120	0.000	1	120.9607	0.249	3	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(SC[6a]OO)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(SC[6a]OO){1|H<1>,5|C<3>}	O(C[6]C[6,6a]N[6])	120.6850	0.204	2	120.6850	0.041	2	120.9607	0.249	3	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	P[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[5,6]C)(O)	N[6](P[5,6]N[5,6]O[5]S)(C[6]C[6,6a]O)(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[5,6]C)(O){1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	N[6](P[5,6]N[5,6]O[5]S)(C[6]C[6,6a]O)(CCHH){2|C<3>,2|C<4>}	O(C[6]C[6,6a]N[6])	120.5360	0.000	1	120.5360	0.000	1	120.5360	0.000	1	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	P[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O)	N[6](P[6]C[6a]O[6]Pd)(C[6]C[6,6a]O)(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O){1|Pd<4>,1|H<1>,1|O<2>,3|C<3>}	N[6](P[6]C[6a]O[6]Pd)(C[6]C[6,6a]O)(CCHH){4|C<3>}	O(C[6]C[6,6a]N[6])	120.9130	0.429	2	120.9130	0.184	2	120.8680	0.180	4	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	P[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O)	N[6](P[6]C[6a]O[6]Ru)(C[6]C[6,6a]O)(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O){1|Ru<9>,1|H<1>,1|O<2>,3|C<3>}	N[6](P[6]C[6a]O[6]Ru)(C[6]C[6,6a]O)(CCHH){4|C<3>}	O(C[6]C[6,6a]N[6])	121.2410	0.000	1	121.2410	0.000	1	120.8680	0.180	4	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	P[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O)	N[6](P[6]C[6a]O[6]Se)(C[6]C[6,6a]O)(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(O){1|Se<1>,1|H<1>,1|O<2>,3|C<3>}	N[6](P[6]C[6a]O[6]Se)(C[6]C[6,6a]O)(CCHH){4|C<3>}	O(C[6]C[6,6a]N[6])	120.4050	0.000	1	120.4050	0.000	1	120.8680	0.180	4	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[5,6]O)(N[6]C[5,6]C)(O)	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]N[5,6]O)(N[6]C[5,6]C)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,2|N<3>,2|O<1>}	O(C[6]C[6]N[6])	125.1355	0.101	2	125.1355	0.010	2	125.1355	0.010	2	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5,6]H)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH)	O(C[6]C[6]N[6])	C[6](C[6]C[5,6]H)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH){1|H<1>,2|C<3>}	O(C[6]C[6]N[6])	121.0470	0.000	1	121.0470	0.000	1	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|S<2>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){2|H<1>,4|C<3>}	O(C[6]C[6]N[6])	120.5750	0.000	1	120.5750	0.000	1	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]2)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]2)(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	121.9410	0.000	1	121.9410	0.000	1	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|O<2>,2|C<3>}	O(C[6]C[6]N[6])	122.6450	0.000	1	122.6450	0.000	1	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]N[6])	119.6820	0.000	1	120.6950	2.052	2	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	121.7080	0.000	1	120.6950	2.052	2	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<4>,1|O<2>,2|C<3>}	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH){1|C<4>,5|C<3>}	O(C[6]C[6]N[6])	120.8440	0.000	1	120.8440	0.000	1	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]N[6])	121.7920	0.000	1	121.7920	0.000	1	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH){2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	122.3020	0.000	1	122.3020	0.000	1	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CH){2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	122.1600	0.000	1	122.1600	0.000	1	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,3|H<1>}	O(C[6]C[6]N[6])	121.2220	0.000	1	121.2220	0.000	1	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,3|H<1>}	O(C[6]C[6]N[6])	120.4435	1.336	2	120.4435	1.784	2	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<4>,1|O<2>,2|C<3>}	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH){1|H<1>,5|C<3>}	O(C[6]C[6]N[6])	122.1450	0.000	1	122.1450	0.000	1	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]C)(O)	N[6](C[6]N[6]SrO)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]C)(O){1|Sr<10>,1|O<2>,2|N<3>}	N[6](C[6]N[6]SrO)(C[6]C[6]O)(CH3){1|C<3>,1|N<2>}	O(C[6]C[6]N[6])	120.4970	0.000	1	120.4970	0.000	1	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]S)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]S)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|S<3>,2|H<1>}	O(C[6]C[6]N[6])	121.7760	0.000	1	121.7760	0.000	1	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]Si)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]Si)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|Si<4>,2|H<1>,3|C<3>}	O(C[6]C[6]N[6])	121.8450	0.000	1	121.8450	0.000	1	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){2|H<1>,4|C<3>}	O(C[6]C[6]N[6])	121.5110	0.000	1	121.5110	0.000	1	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]C)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	122.8910	0.000	1	122.8910	0.000	1	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]N[6]C)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	122.5210	0.000	1	122.5210	0.000	1	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|C<3>,3|C<4>}	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|N<3>,2|O<1>}	O(C[6]C[6]N[6])	124.2620	0.000	1	124.2620	0.000	1	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,2|O<1>}	O(C[6]C[6]N[6])	125.3366	0.250	5	125.3366	0.062	5	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|H<1>,3|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	123.2285	0.784	2	123.2285	0.615	2	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	124.1830	0.000	1	124.0906	0.319	5	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,1|N<2>,1|O<1>}	O(C[6]C[6]N[6])	123.3770	0.000	1	124.0906	0.319	5	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	124.1800	0.000	1	124.0906	0.319	5	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]O)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	124.3565	0.781	2	124.0906	0.319	5	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]N[6]O)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	124.4720	0.509	2	124.4720	0.259	2	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]N[6]O)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[6]N[6])	123.9850	0.216	3	123.9850	0.047	3	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]S)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]N[6]S)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|N<3>,1|S<1>,2|H<1>}	O(C[6]C[6]N[6])	122.2630	0.000	1	122.2630	0.000	1	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]O[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]2H)	O(C[6]C[6]N[6])	C[6](C[6]O[6]O)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]2H){1|O<2>,2|O<1>}	O(C[6]C[6]N[6])	125.5670	0.000	1	125.5670	0.000	1	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]O[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]O[6]O)(N[6]C[6]C)(O){1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]N[6])	124.8310	0.000	1	124.8310	0.000	1	122.9611	2.908	41	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]S)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]S)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO){1|C<3>,3|H<1>}	O(C[6]C[6]N[6])	121.6240	0.000	1	121.6240	0.000	1	121.5970	0.001	2	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]S)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]S)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO){3|C<3>,3|H<1>}	O(C[6]C[6]N[6])	121.5700	0.000	1	121.5700	0.000	1	121.5970	0.001	2	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:C[6]-3:O-1:	C[4,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[4,6]C)(C[6]C[6]H)(O)	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](N[6]C[4,6]C)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6]N[6])	122.3960	0.000	1	122.3960	0.000	1	122.3960	0.000	1	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:C[6]-3:O-1:	C[5,6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5,6,6]C)(C[6]C[6,6]C)(O)	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]CH)	O(C[6]C[6]N[6])	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>}	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]CH){2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]N[6])	121.1764	0.199	8	121.1764	0.040	8	121.1764	0.040	8	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6]C)(C[6]C[6]H)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6]N[6])	120.9360	0.000	1	120.9360	0.000	1	121.6355	0.979	2	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6]C)(C[6]C[6]O)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6]C)(C[6]C[6]O)(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH){1|N<3>,2|O<1>,3|C<4>}	O(C[6]C[6]N[6])	122.3350	0.000	1	122.3350	0.000	1	121.6355	0.979	2	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-3:S-4:	C[6]-3:	C[6](N[6]C[6,6]S)(C[6]C[6]H)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6]S)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6]N[6])	121.6180	0.000	1	121.6180	0.000	1	121.6180	0.000	1	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	B[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]B[6]C)(N[6]C[6]2)(O)	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CCHH)	O(C[6]N[6]2)	C[6](N[6]B[6]C)(N[6]C[6]2)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CCHH){1|C<4>,5|C<3>}	O(C[6]N[6]2)	128.0760	0.484	2	128.0760	0.234	2	128.1232	0.207	4	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	B[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]B[6]C)(N[6]C[6]2)(O)	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CC[6a]HH)	O(C[6]N[6]2)	C[6](N[6]B[6]C)(N[6]C[6]2)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[6](B[6]C[6a]2O[6])(C[6]N[6]O)(CC[6a]HH){1|C<4>,5|C<3>}	O(C[6]N[6]2)	128.1705	0.614	2	128.1705	0.378	2	128.1232	0.207	4	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[4,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	O(C[6]N[6]2)	122.3989	0.390	8	122.1323	0.202	14	122.2626	0.258	17	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[4,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	O(C[6]N[6]2)	121.7180	0.313	2	122.1323	0.202	14	122.2626	0.258	17	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[4,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	N[6](C[4,6]C[4,6]2C)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	O(C[6]N[6]2)	121.8063	0.207	4	122.1323	0.202	14	122.2626	0.258	17	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[4,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[4,6]C[4,6]C[4]H)(C[6]N[6]O)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]N[6]2)	123.1820	0.000	1	123.1820	0.000	1	122.2626	0.258	17	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[4,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[4,6]C[4,6]O[4]C)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>}	N[6](C[4,6]C[4,6]O[4]C)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	O(C[6]N[6]2)	122.6850	0.000	1	122.6850	0.000	1	122.2626	0.258	17	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[4,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O)	N[6](C[4,6]C[4,6]O[4]H)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[4,6]C)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[4,6]C[4,6]O[4]H)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	O(C[6]N[6]2)	122.7460	0.000	1	122.7460	0.000	1	122.2626	0.258	17	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5,6]C)(N[6]C[6]C)(O)	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CC[6a]HH)	O(C[6]N[6]2)	C[6](N[6]C[5,6]C)(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<3>}	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CC[6a]HH){2|C<4>,5|C<3>}	O(C[6]N[6]2)	123.0570	0.184	2	123.0570	0.034	2	123.4193	0.411	3	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5,6]C)(N[6]C[6]C)(O)	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[5,6]C)(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<3>}	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CH3){2|C<4>,5|C<3>}	O(C[6]N[6]2)	124.1440	0.000	1	124.1440	0.000	1	123.4193	0.411	3	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6]C)2(O)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH)	O(C[6]N[6]2)	C[6](N[6]C[6,6]C)2(O){1|C<4>,2|H<1>,2|N<3>}	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	O(C[6]N[6]2)	121.2850	0.000	1	121.2850	0.000	1	121.5463	0.224	37	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6]C)2(O)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[5]HH)	O(C[6]N[6]2)	C[6](N[6]C[6,6]C)2(O){1|C<4>,2|H<1>,2|N<3>}	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[5]HH){1|C<3>,5|C<4>}	O(C[6]N[6]2)	121.2225	0.391	8	121.2225	0.153	8	121.5463	0.224	37	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6]C)2(O)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH)	O(C[6]N[6]2)	C[6](N[6]C[6,6]C)2(O){1|C<4>,2|H<1>,2|N<3>}	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH){1|C<3>,2|H<1>,3|C<4>}	O(C[6]N[6]2)	121.5865	0.111	2	121.6482	0.215	28	121.5463	0.224	37	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6]C)2(O)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH)	O(C[6]N[6]2)	C[6](N[6]C[6,6]C)2(O){1|C<4>,2|H<1>,2|N<3>}	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH){1|C<3>,5|C<4>}	O(C[6]N[6]2)	121.6529	0.481	26	121.6482	0.215	28	121.5463	0.224	37	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O)	N[6](C[6]N[6,6]HH)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(O){1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]N[6,6]HH)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	O(C[6]N[6]2)	124.9380	0.000	1	124.9380	0.000	1	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(CC[6a]HH)	O(C[6]N[6]2)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(O){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(CC[6a]HH){1|H<1>,4|C<3>}	O(C[6]N[6]2)	122.9270	0.000	1	122.9270	0.000	1	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3){1|C<4>,3|H<1>}	O(C[6]N[6]2)	121.3530	0.000	1	121.3530	0.000	1	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]N[6]C)(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CCHH)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]N[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(CCHH){1|C<4>,1|N<3>,1|O<1>}	O(C[6]N[6]2)	123.5620	0.000	1	123.5620	0.000	1	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]N[6]C)(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CC[6a]HH)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]N[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	O(C[6]N[6]2)	125.2050	0.000	1	125.2510	0.004	2	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)(N[6]N[6]C)(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CC[6a]HH)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]N[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	O(C[6]N[6]2)	125.2970	0.000	1	125.2510	0.004	2	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	O(C[6]N[6]2)	123.2970	0.000	1	123.6238	0.083	5	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	O(C[6]N[6]2)	123.7880	0.000	1	123.6238	0.083	5	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6]N[6]2)	123.5655	0.339	2	123.6238	0.083	5	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]N[6]2)	123.9030	0.000	1	123.6238	0.083	5	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]2H)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]2H)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]N[6]2)	122.6650	0.000	1	122.5355	0.034	2	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]2H)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]2H)(C[6]N[6]O)(CH3){1|F<1>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]N[6]2)	122.4060	0.000	1	122.5355	0.034	2	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	O(C[6]N[6]2)	123.4120	0.000	1	122.6174	2.141	7	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	O(C[6]N[6]2)	121.9240	0.000	1	122.6174	2.141	7	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	O(C[6]N[6]2)	122.8750	0.984	3	122.6174	2.141	7	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	O(C[6]N[6]2)	124.3270	0.000	1	122.6174	2.141	7	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	O(C[6]N[6]2)	120.0340	0.000	1	122.6174	2.141	7	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|O<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6]CO)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	O(C[6]N[6]2)	123.8400	0.000	1	123.8400	0.000	1	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	O(C[6]N[6]2)	121.0946	1.279	20	121.1019	1.554	21	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	O(C[6]N[6]2)	121.2470	0.000	1	121.1019	1.554	21	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6]HO)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]C[6]HO)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	O(C[6]N[6]2)	124.4220	0.000	1	124.4220	0.000	1	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CH3){1|O<2>,2|C<4>,3|C<3>}	O(C[6]N[6]2)	124.0705	0.145	2	124.0705	0.021	2	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH){3|C<4>}	O(C[6]N[6]2)	121.8064	0.394	13	121.8064	0.155	13	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]N[6]HH)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|Rh<6>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>}	O(C[6]N[6]2)	123.0700	0.000	1	123.0700	0.000	1	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]O[6]HH)(C[6]N[6]O)(CC[5a]HH)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|O<2>,4|H<1>}	N[6](C[6]O[6]HH)(C[6]N[6]O)(CC[5a]HH){2|C<4>}	O(C[6]N[6]2)	121.1210	0.000	1	121.1210	0.000	1	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]O[6]HH)(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|O<2>,4|H<1>}	N[6](C[6]O[6]HH)(C[6]N[6]O)(CH3){2|C<4>}	O(C[6]N[6]2)	123.5460	0.000	1	123.5460	0.000	1	122.2222	2.211	61	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](N[6]C[6,6]C[6a])(N[6]C[6]S)(O)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(SC[6a]OO)	O(C[6]N[6]2)	C[6](N[6]C[6,6]C[6a])(N[6]C[6]S)(O){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(SC[6a]OO){1|C<4>,4|C<3>}	O(C[6]N[6]2)	120.3860	0.000	1	120.3860	0.000	1	121.6235	1.987	4	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6]S)(O)	N[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SC[6a]OO)	O(C[6]N[6]2)	C[6](N[6]C[6,6a]H)(N[6]C[6]S)(O){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SC[6a]OO){1|H<1>,2|C<3>}	O(C[6]N[6]2)	122.2510	0.000	1	122.2510	0.000	1	121.6235	1.987	4	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6]S)(O)	N[6](C[6]C[6]HP)(C[6]N[6]O)(SC[6a]OO)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6]S)(O){1|C<4>,1|H<1>,1|N<2>,1|P<4>}	N[6](C[6]C[6]HP)(C[6]N[6]O)(SC[6a]OO){1|C<3>,3|H<1>}	O(C[6]N[6]2)	123.3160	0.000	1	123.3160	0.000	1	121.6235	1.987	4	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6]S)(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(SC[6a]OO)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6]S)(O){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	O(C[6]N[6]2)	120.5410	0.000	1	120.5410	0.000	1	121.6235	1.987	4	122.2196	2.375	220	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:4:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6,6]C[6])(O)	N[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(C[6]C[6,6a]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]C[6,6]C[6])(O){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(C[6]C[6,6a]O){1|N<4>,2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6a]N[6])	122.0150	0.000	1	122.0150	0.000	1	122.0150	0.000	1	124.7096	8.109	10	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:4:3:	3:	N[6]-3:N[6]-3:O-1:	B[6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]B[6]C[6])(N[6]C[6]2)(O)	N[6](B[6]C[6a]2O[6])(C[6]C[6]2H)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]B[6]C[6])(N[6]C[6]2)(O){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	N[6](B[6]C[6a]2O[6])(C[6]C[6]2H)(C[6]N[6]O){3|C<4>,4|H<1>,5|C<3>}	O(C[6]N[6]2)	128.6660	0.000	1	128.6660	0.000	1	129.6850	2.077	2	124.7096	8.109	10	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:4:3:	3:	N[6]-3:N[6]-3:O-1:	B[6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]B[6]C[6])(O)	N[6](B[6]C[6a]2O[6])(C[6]C[6]2H)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]B[6]C[6])(O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	N[6](B[6]C[6a]2O[6])(C[6]C[6]2H)(C[6]N[6]O){2|C<4>,4|H<1>,6|C<3>}	O(C[6]N[6]2)	130.7040	0.000	1	130.7040	0.000	1	129.6850	2.077	2	124.7096	8.109	10	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:4:3:	3:	N[6]-3:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[5,6]C[5])(N[6]C[6]H)(O)	N[6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]O[5]H)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[5,6]C[5])(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]O[5]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	O(C[6]N[6]2)	124.4230	0.000	1	124.4230	0.000	1	124.4230	0.000	1	124.7096	8.109	10	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:4:3:	3:	N[6]-3:N[6]-3:O-1:	C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HN)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HN)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]N[6]2)	124.1650	0.000	1	124.1650	0.000	1	122.8383	1.320	3	124.7096	8.109	10	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:4:3:	3:	N[6]-3:N[6]-3:O-1:	C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HS)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|O<1>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HS)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]N[6]2)	122.1750	0.027	2	122.1750	0.001	2	122.8383	1.320	3	124.7096	8.109	10	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:4:3:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	O(C[6]N[6]2)	123.8310	0.000	1	123.8310	0.000	1	124.2577	0.145	3	124.7096	8.109	10	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	4:4:3:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O)	O(C[6]N[6]2)	C[6](N[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	O(C[6]N[6]2)	124.4710	0.129	2	124.4710	0.017	2	124.2577	0.145	3	124.7096	8.109	10	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	6:3:1:	3:	N[6]-3:C[6,6a]-3:O-1:	B[5x3,5x5,21x6]-6:C[6]-3:H-1:	C[6]-3:	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O)	N[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<6>,1|F<1>,2|C<3>,4|B<6>}	N[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6,6a]O)(H){1|C<6>,2|C<3>,4|B<6>,4|H<1>}	O(C[6]C[6,6a]N[6])	119.4160	0.000	1	120.0547	0.346	3	120.0547	0.346	3	120.0547	0.346	3	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:1:	6:3:1:	3:	N[6]-3:C[6,6a]-3:O-1:	B[5x3,5x5,21x6]-6:C[6]-3:H-1:	C[6]-3:	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O)	N[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](N[6]B[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	N[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6,6a]O)(H){1|C<6>,2|C<3>,4|B<6>,4|H<1>}	O(C[6]C[6,6a]N[6])	120.3740	0.281	2	120.0547	0.346	3	120.0547	0.346	3	120.0547	0.346	3	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6]H)(C[6]C[6]CC)(O)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6]C[6]CC)(O){1|N<2>,1|N<3>,1|O<1>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|N<2>}	O(C[6]C[6]N[6])	120.8610	0.000	1	120.8610	0.000	1	121.5829	1.115	11	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6]H)(C[6]C[6]CH)(O)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6]C[6]CH)(O){1|H<1>,1|N<3>,2|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6]C[6]N[6])	122.2175	0.149	2	122.2175	0.022	2	121.5829	1.115	11	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]N[6])	120.4090	0.000	1	120.8972	0.119	5	121.5829	1.115	11	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	121.0192	0.244	4	120.8972	0.119	5	121.5829	1.115	11	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	121.3760	0.000	1	121.3760	0.000	1	121.5829	1.115	11	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6]H)(C[6]C[6]HN)(O)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6]C[6]HN)(O){1|H<1>,1|N<3>,2|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(C[6]C[6]N[6])	122.0870	0.000	1	122.0870	0.000	1	121.5829	1.115	11	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5a,6]H)(C[6]O[6]HH)(O)	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6]O[6]HH)(O){2|C<3>}	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]N[6])	124.1670	0.000	1	124.1670	0.000	1	121.5829	1.115	11	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6]H)(C[6]C[6]CH)(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6]H)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(C[6]C[6]N[6])	120.4530	0.000	1	120.4530	0.000	1	121.1020	0.466	3	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,4|H<1>}	O(C[6]C[6]N[6])	121.8140	0.000	1	121.4265	0.300	2	121.1020	0.466	3	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|H<1>,4|C<4>}	O(C[6]C[6]N[6])	121.0390	0.000	1	121.4265	0.300	2	121.1020	0.466	3	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]CO)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]CO)(O){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|O<2>,3|C<3>}	O(C[6]C[6]N[6])	122.3190	0.000	1	122.3190	0.000	1	121.8862	0.891	39	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6])	122.3350	0.000	1	121.3446	0.471	21	121.8862	0.891	39	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	122.0080	0.000	1	121.3446	0.471	21	121.8862	0.891	39	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6])	121.3310	0.000	1	121.3446	0.471	21	121.8862	0.891	39	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	122.4530	0.000	1	121.3446	0.471	21	121.8862	0.891	39	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	122.0360	0.000	1	121.3446	0.471	21	121.8862	0.891	39	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6])	121.1296	0.608	16	121.3446	0.471	21	121.8862	0.891	39	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(O){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]N[6])	121.5230	0.000	1	121.5230	0.000	1	121.8862	0.891	39	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(O){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	122.9230	0.000	1	122.4335	0.479	2	121.8862	0.891	39	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(O){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6]N[6])	121.9440	0.000	1	122.4335	0.479	2	121.8862	0.891	39	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(O){3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6])	123.0680	0.658	2	123.0680	0.432	2	121.8862	0.891	39	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]N[6]HO)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]N[6]HO)(O){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	122.4420	0.000	1	122.4420	0.000	1	121.8862	0.891	39	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|O<2>,3|C<3>}	O(C[6]C[6]N[6])	123.5450	0.000	1	122.6673	0.624	3	121.8862	0.891	39	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]O[6]CC)(O){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6]N[6])	122.2285	0.303	2	122.6673	0.624	3	121.8862	0.891	39	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]O[6]CO)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]O[6]CO)(O){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|O<2>,3|C<3>}	O(C[6]C[6]N[6])	123.3060	0.000	1	123.3060	0.000	1	121.8862	0.891	39	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]O[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]O[6]HH)(O){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6])	123.0220	0.000	1	123.0220	0.000	1	121.8862	0.891	39	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	121.6845	0.139	2	121.7427	0.020	3	121.8862	0.891	39	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]S[6]CH)(O){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|S<2>,2|H<1>,3|C<3>}	O(C[6]C[6]N[6])	121.8590	0.000	1	121.7427	0.020	3	121.8862	0.891	39	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]S[6]FF)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]S[6]FF)(O){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,1|S<2>,2|C<3>,2|F<1>}	O(C[6]C[6]N[6])	124.4960	0.000	1	124.4960	0.000	1	121.8862	0.891	39	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(O){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){2|C<3>,2|H<1>,2|S<2>}	O(C[6]C[6]N[6])	121.9915	0.202	2	121.9915	0.041	2	121.8862	0.891	39	121.7788	0.927	53	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:2:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-2:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6])	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]){4|C<3>,4|C<4>}	O(C[6]C[6]N[6])	120.6645	0.431	2	120.2603	0.583	3	120.2603	0.583	3	121.7036	2.521	8	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:2:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-2:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6])	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]){3|C<3>,5|C<4>}	O(C[6]C[6]N[6])	119.4520	0.000	1	120.2603	0.583	3	120.2603	0.583	3	121.7036	2.521	8	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:2:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6])	O(C[6]C[6]N[6])	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O){1|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6]N[6])	121.5250	0.361	2	121.6887	0.145	3	122.5696	1.621	5	121.7036	2.521	8	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:2:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6])	O(C[6]C[6]N[6])	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6]N[6])	122.0160	0.000	1	121.6887	0.145	3	122.5696	1.621	5	121.7036	2.521	8	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:2:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:	C[6](N[6]C[6a]N[6])(C[6]O[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6])	O(C[6]C[6]N[6])	C[6](N[6]C[6a]N[6])(C[6]O[6]HH)(O){3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]){1|O<2>,3|C<3>,4|H<1>}	O(C[6]C[6]N[6])	123.8910	0.611	2	123.8910	0.373	2	122.5696	1.621	5	121.7036	2.521	8	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[4,6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[4,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[4,6]N[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[4,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	N[6](C[4,6]N[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]O){1|P<3>,3|C<3>,5|C<4>}	O(C[6]C[6]N[6])	118.6620	0.264	2	118.6620	0.070	2	118.6620	0.070	2	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O){1|P<3>,3|C<3>,6|C<4>}	O(C[6]C[6]N[6])	121.7090	0.000	1	121.1910	0.329	3	121.1910	0.329	3	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O){1|P<4>,4|C<3>,5|C<4>}	O(C[6]C[6]N[6])	121.2900	0.000	1	121.1910	0.329	3	121.1910	0.329	3	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O){5|C<3>,5|C<4>}	O(C[6]C[6]N[6])	120.5740	0.000	1	121.1910	0.329	3	121.1910	0.329	3	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5a,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[5a,6]C[6a])(C[6]C[6]CC)(O){1|O<1>,4|C<3>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	O(C[6]C[6]N[6])	120.2340	0.000	1	120.2340	0.000	1	120.2340	0.000	1	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]CH)(O)	N[6](C[6,6]C[3x6]N[6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6]C[6a])(C[6]C[6,6]CH)(O){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[6](C[6,6]C[3x6]N[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<2>,2|C<4>,3|H<1>,4|C<3>}	O(C[6]C[6]N[6])	120.2720	0.000	1	120.2720	0.000	1	121.1985	0.480	4	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CH)(O)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,4|C<3>,5|H<1>}	O(C[6]C[6]N[6])	121.5073	0.385	3	121.5073	0.148	3	121.1985	0.480	4	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CN[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CN[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6])	120.4350	0.000	1	120.4350	0.000	1	121.9636	1.852	7	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)	N[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(COO)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	119.7920	0.000	1	119.7920	0.000	1	121.9636	1.852	7	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]N[6]CH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]N[6]CH)(O){3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	122.9535	0.154	4	122.9535	0.024	4	121.9636	1.852	7	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO){1|S<3>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6])	121.7040	0.000	1	121.7040	0.000	1	121.9636	1.852	7	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]CN)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]CN)(O){1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	O(C[6]C[6]N[6])	120.3580	0.000	1	120.3580	0.000	1	120.9490	0.593	8	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O)	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O){2|H<1>,4|C<3>}	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	O(C[6]C[6]N[6])	121.0090	0.000	1	121.0090	0.000	1	120.9490	0.593	8	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	O(C[6]C[6]N[6])	120.7960	0.000	1	120.7960	0.000	1	120.9490	0.593	8	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|N<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	O(C[6]C[6]N[6])	120.7165	0.740	2	120.7165	0.548	2	120.9490	0.593	8	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O)	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|S<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	O(C[6]C[6]N[6])	120.5590	0.000	1	120.5590	0.000	1	120.9490	0.593	8	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HN)(O)	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HN)(O){1|H<1>,1|S<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]S[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	O(C[6]C[6]N[6])	120.7740	0.000	1	120.7740	0.000	1	120.9490	0.593	8	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(O){4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|O<2>,4|C<3>,5|H<1>}	O(C[6]C[6]N[6])	122.6630	0.000	1	122.6630	0.000	1	120.9490	0.593	8	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(O)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(O){1|C<4>,1|O<1>,4|C<3>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6]N[6])	121.1300	0.000	1	120.7365	0.310	2	120.7361	1.687	10	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(O)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(O){1|O<1>,2|C<3>,3|C<4>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	O(C[6]C[6]N[6])	120.3430	0.000	1	120.7365	0.310	2	120.7361	1.687	10	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	N[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]O){4|C<4>,6|C<3>}	O(C[6]C[6]N[6])	120.6977	1.619	6	120.6977	2.622	6	120.7361	1.687	10	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6]C[6,6]S)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|S<1>,3|C<3>}	N[6](C[6]C[6,6]S)(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6]N[6])	119.9210	0.000	1	119.9210	0.000	1	120.7361	1.687	10	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]N[5,6]CH)(O)	N[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]N[5,6]CH)(O){1|C<4>,4|C<3>}	N[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	O(C[6]C[6]N[6])	121.7810	0.000	1	121.7810	0.000	1	120.7361	1.687	10	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]Ir)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ir<6>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]Ir)(C[6]C[6]O){2|C<3>,7|C<4>}	O(C[6]C[6]N[6])	118.5840	0.000	1	118.5840	0.000	1	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<3>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B){4|C<3>,4|C<4>}	O(C[6]C[6]N[6])	120.6467	1.432	6	119.9577	1.627	12	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<4>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]B){4|C<3>,4|C<4>}	O(C[6]C[6]N[6])	119.2687	0.624	6	119.9577	1.627	12	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|C<2>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){4|C<3>,4|C<4>}	O(C[6]C[6]N[6])	121.3429	0.486	7	120.8912	1.102	18	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<2>,1|O<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){3|C<3>,4|C<4>}	O(C[6]C[6]N[6])	120.1860	0.000	1	120.8912	1.102	18	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){4|C<3>,4|C<4>}	O(C[6]C[6]N[6])	120.6456	1.282	10	120.8912	1.102	18	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]H)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]H){4|C<3>,4|C<4>}	O(C[6]C[6]N[6])	119.4495	0.199	2	119.4495	0.039	2	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,2|C<3>,2|O<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O){2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6]N[6])	120.5460	0.000	1	120.4320	0.010	3	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,2|C<3>,2|O<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O){4|C<3>,4|C<4>}	O(C[6]C[6]N[6])	120.3750	0.013	2	120.4320	0.010	3	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]P)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,1|P<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]P){4|C<3>,4|C<4>}	O(C[6]C[6]N[6])	120.6970	0.253	2	120.6970	0.064	2	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]Br)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Br<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]Br)(C[6]C[6]O){4|C<3>,4|C<4>}	O(C[6]C[6]N[6])	118.4335	0.125	2	118.4335	0.016	2	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]Ir)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ir<4>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]Ir)(C[6]C[6]O){4|C<3>,4|C<4>}	O(C[6]C[6]N[6])	120.0175	0.275	2	120.4410	0.176	5	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]Ir)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ir<6>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]Ir)(C[6]C[6]O){4|C<3>,4|C<4>}	O(C[6]C[6]N[6])	120.6865	0.145	2	120.4410	0.176	5	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]Ir)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]Ir)(C[6]C[6]O){3|C<3>,5|C<4>}	O(C[6]C[6]N[6])	120.7970	0.000	1	120.4410	0.176	5	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]Ni)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Ni<3>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]Ni)(C[6]C[6]O){4|C<3>,4|C<4>}	O(C[6]C[6]N[6])	120.9070	0.048	2	120.9070	0.002	2	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){3|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	O(C[6]C[6]N[6])	121.9680	0.000	1	121.9680	0.000	1	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O){2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6]N[6])	120.9080	1.229	2	120.9080	1.510	2	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]S)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]S){2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]N[6])	121.2725	0.063	2	121.2725	0.004	2	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]N[6])	119.3025	0.777	2	119.9620	0.786	4	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,3|C<3>,5|H<1>}	O(C[6]C[6]N[6])	120.6215	0.121	2	119.9620	0.786	4	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]ClC)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]ClC)(O){1|N<3>,2|C<3>,2|O<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]O){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6]N[6])	122.3380	0.553	2	122.3380	0.306	2	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<2>,2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	O(C[6]C[6]N[6])	119.9570	0.000	1	119.9570	0.000	1	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]S)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]S){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6]N[6])	120.4555	1.050	2	120.4555	1.103	2	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]O[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]O[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]N[6])	120.6420	0.000	1	120.6420	0.000	1	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]S[6]N)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]S[6]N){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]N[6])	120.1530	0.030	3	120.1530	0.001	3	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6]N[6])	119.9900	0.433	2	120.0488	0.242	5	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,3|C<3>,5|H<1>}	O(C[6]C[6]N[6])	119.7335	0.120	2	120.0488	0.242	5	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{3|C<3>,5|H<1>}	O(C[6]C[6]N[6])	120.7970	0.000	1	120.0488	0.242	5	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6a]N[6a]2)(C[6]C[6]O)2	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|H<1>,2|N<2>}	N[6](C[6a]N[6a]2)(C[6]C[6]O)2{1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]N[6])	119.1870	0.231	2	119.1870	0.053	2	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(O){1|C<4>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[6]N[6])	122.4360	0.000	1	122.4360	0.000	1	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){1|O<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<3>,1|N<2>,1|N<3>,6|H<1>}	O(C[6]C[6]N[6])	120.7935	0.377	2	120.7935	0.142	2	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)2	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O){1|C<4>,1|O<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)2{2|C<3>,2|O<2>,5|H<1>}	O(C[6]C[6]N[6])	121.3265	0.176	2	121.3265	0.031	2	120.4508	1.144	77	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]N[6])(C[6]C[6]CC)(O)	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]N[6])(C[6]C[6]CC)(O){2|H<1>,4|C<3>}	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	O(C[6]C[6]N[6])	120.6030	0.000	1	120.6030	0.000	1	120.6030	0.000	1	120.6189	1.299	113	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(O)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CCHH){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[6]N[6])	120.7440	0.000	1	120.7440	0.000	1	121.6963	3.780	3	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(O)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH)	O(C[6]C[6]N[6])	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH){3|H<1>,4|C<4>}	O(C[6]C[6]N[6])	120.4120	0.000	1	120.4120	0.000	1	121.6963	3.780	3	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5,6]C)(C[6]N[6]HO)(O)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH)	O(C[6]C[6]N[6])	C[6](N[6]C[5,6]C)(C[6]N[6]HO)(O){1|C<4>,2|C<3>}	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CC[6a]CH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	O(C[6]C[6]N[6])	123.9330	0.000	1	123.9330	0.000	1	121.6963	3.780	3	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(O)	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	O(C[6]C[6]N[6])	120.8620	0.000	1	120.1890	0.495	3	120.5348	0.808	4	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(O)	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	119.8525	0.556	2	120.1890	0.495	3	120.5348	0.808	4	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(O)	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	O(C[6]C[6]N[6])	121.5720	0.000	1	121.5720	0.000	1	120.5348	0.808	4	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6]C)(C[6]C[6]HP)(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6]C)(C[6]C[6]HP)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6a]HH){1|P<4>,3|C<4>,3|H<1>}	O(C[6]C[6]N[6])	122.8440	0.000	1	122.8440	0.000	1	122.8440	0.000	1	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]CC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]CC)(O){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[6]N[6])	121.9130	0.000	1	121.9130	0.000	1	122.0810	0.948	41	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]CC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]CC)(O){3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[6]N[6])	121.6400	0.000	1	121.6400	0.000	1	122.0810	0.948	41	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	121.7490	0.000	1	121.8370	0.015	2	122.0810	0.948	41	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(O){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	121.9250	0.000	1	121.8370	0.015	2	122.0810	0.948	41	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]CN)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]CN)(O){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O(C[6]C[6]N[6])	122.3230	0.000	1	122.3230	0.000	1	122.0810	0.948	41	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]CN)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]CN)(O){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[6]N[6])	120.7220	0.018	2	120.7220	0.000	2	122.0810	0.948	41	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]CS)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]CS)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	O(C[6]C[6]N[6])	122.2100	0.000	1	122.2100	0.000	1	122.0810	0.948	41	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]FF)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]FF)(O){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	O(C[6]C[6]N[6])	124.9360	0.000	1	124.9360	0.000	1	122.0810	0.948	41	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	120.4080	0.000	1	120.4080	0.000	1	122.0810	0.948	41	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6])	121.4230	0.000	1	121.4230	0.000	1	122.0810	0.948	41	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]HO)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]HO)(O){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	123.4880	0.000	1	123.4880	0.000	1	122.0810	0.948	41	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]HS)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]HS)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|F<1>,1|H<1>,1|S<4>,2|C<3>}	O(C[6]C[6]N[6])	122.4370	0.000	1	122.7060	0.145	2	122.0810	0.948	41	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]C[6]HS)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]C[6]HS)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	122.9750	0.000	1	122.7060	0.145	2	122.0810	0.948	41	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]N[6]CH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]N[6]CH)(O){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	123.1790	0.000	1	123.1790	0.000	1	122.0810	0.948	41	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	122.3025	0.589	2	122.3025	0.347	2	122.0810	0.948	41	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(O){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	122.0060	0.000	1	122.0060	0.000	1	122.0810	0.948	41	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(O){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6])	122.9409	0.447	7	122.9409	0.200	7	122.0810	0.948	41	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(O){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6])	122.9825	0.185	2	122.9825	0.034	2	122.0810	0.948	41	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|S<2>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6])	121.1795	0.768	4	121.1795	0.590	4	122.0810	0.948	41	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5]HH)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5]HH){1|S<2>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6])	121.5190	0.000	1	121.5190	0.000	1	122.0810	0.948	41	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[5a]HH){1|S<2>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6])	121.5264	0.460	5	121.5264	0.212	5	122.0810	0.948	41	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){1|S<2>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6])	121.1990	0.000	1	121.1990	0.000	1	122.0810	0.948	41	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6]S[6]HH)(O){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|S<2>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6])	121.6797	0.643	3	121.6797	0.413	3	122.0810	0.948	41	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:S-4:	C[6]-3:	C[6](N[6]C[6,6a]S)(C[6]C[6]CC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]S)(C[6]C[6]CC)(O){3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[6]N[6])	121.0030	0.000	1	121.0030	0.000	1	121.7793	0.709	3	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-3:S-4:	C[6]-3:	C[6](N[6]C[6,6a]S)(C[6]C[6]CN)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]S)(C[6]C[6]CN)(O){1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[6]N[6])	122.1675	0.716	2	122.1675	0.513	2	121.7793	0.709	3	121.9371	1.159	52	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:4:3:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6a]C[6])(C[6]O[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C[6])(C[6]O[6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	O(C[6]C[6]N[6])	123.3340	0.000	1	123.3340	0.000	1	123.3340	0.000	1	121.9289	1.124	34	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:4:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<3>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	O(C[6]C[6]N[6])	120.9365	0.296	2	121.9824	0.634	8	121.8864	1.095	33	121.9289	1.124	34	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:4:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	O(C[6]C[6]N[6])	122.3310	0.536	6	121.9824	0.634	8	121.8864	1.095	33	121.9289	1.124	34	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:4:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]O){4|C<3>,4|C<4>}	O(C[6]C[6]N[6])	120.9125	0.006	2	120.9125	0.000	2	121.8864	1.095	33	121.9289	1.124	34	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:4:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]HN)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HN)(C[6]C[6]O){4|C<3>,4|C<4>}	O(C[6]C[6]N[6])	121.7390	0.091	2	121.7390	0.008	2	121.8864	1.095	33	121.9289	1.124	34	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:4:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]HP)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|H<1>,1|N<3>,1|O<1>,1|P<3>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HP)(C[6]C[6]O){4|C<3>,4|C<4>}	O(C[6]C[6]N[6])	121.3250	0.081	2	121.3250	0.006	2	121.8864	1.095	33	121.9289	1.124	34	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:4:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6a]C[6a]2)(C[6]N[6]SS)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|S<2>}	N[6](C[6a]C[6a]2)(C[6]N[6]SS)(C[6]C[6]O){4|C<3>,4|C<4>}	O(C[6]C[6]N[6])	121.0300	0.054	2	121.0300	0.003	2	121.8864	1.095	33	121.9289	1.124	34	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:4:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6]N[6])	119.7160	0.000	1	119.7160	0.000	1	121.8864	1.095	33	121.9289	1.124	34	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:4:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6]N[6])	121.0690	0.000	1	121.0240	0.162	4	121.8864	1.095	33	121.9289	1.124	34	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:4:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]N[6])	121.4860	0.000	1	121.0240	0.162	4	121.8864	1.095	33	121.9289	1.124	34	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:4:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6]N[6])	120.7705	0.375	2	121.0240	0.162	4	121.8864	1.095	33	121.9289	1.124	34	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:4:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	O(C[6]C[6]N[6])	121.6625	0.124	2	121.6625	0.015	2	121.8864	1.095	33	121.9289	1.124	34	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:4:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6]N[6])	121.3470	0.000	1	121.9720	0.781	2	121.8864	1.095	33	121.9289	1.124	34	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:4:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6]N[6])	122.5970	0.000	1	121.9720	0.781	2	121.8864	1.095	33	121.9289	1.124	34	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:4:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	O(C[6]C[6]N[6])	122.2070	0.000	1	122.2070	0.000	1	121.8864	1.095	33	121.9289	1.124	34	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:4:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6])	123.0020	0.000	1	123.0020	0.000	1	121.8864	1.095	33	121.9289	1.124	34	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:4:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	O(C[6]C[6]N[6])	123.5243	0.274	3	123.5243	0.075	3	121.8864	1.095	33	121.9289	1.124	34	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	3:4:3:	3:	N[6]-3:C[6]-4:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|O<2>,2|C<3>,6|H<1>}	O(C[6]C[6]N[6])	123.1717	1.203	3	123.1717	1.447	3	121.8864	1.095	33	121.9289	1.124	34	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[3x6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(O)	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(H){1|C<3>,3|C<4>,7|H<1>}	O(C[6]C[6]N[6])	121.2280	0.000	1	121.3870	0.019	3	121.3870	0.019	3	121.6613	0.919	21	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[3x6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(O)	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(H){1|C<3>,4|C<4>,6|H<1>}	O(C[6]C[6]N[6])	121.4665	0.005	2	121.3870	0.019	3	121.3870	0.019	3	121.6613	0.919	21	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[4,5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[4,5,6]H)(C[6]C[6]HH)(O)	N[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[4,5,6]H)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	N[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[6]C[6]N[6])	121.3240	0.000	1	121.3240	0.000	1	121.3240	0.000	1	121.6613	0.919	21	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[4,6]H)(C[6]C[6]HH)(O)	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[4,6]H)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[6]N[6])	120.8540	0.000	1	120.8540	0.000	1	121.7805	1.717	2	121.6613	0.919	21	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[4,6]H)(C[6]N[6]CH)(O)	N[6](C[4,6]C[4,6]C[4]C[6])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[4,6]H)(C[6]N[6]CH)(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[4,6]C[4,6]C[4]C[6])(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	O(C[6]C[6]N[6])	122.7070	0.000	1	122.7070	0.000	1	121.7805	1.717	2	121.6613	0.919	21	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6]H)(C[6]C[6]CC)(O)	N[6](C[5,6]C[5,6a]2N[6])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[5,6]H)(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>}	N[6](C[5,6]C[5,6a]2N[6])(C[6]C[6]O)(H){3|C<4>,5|C<3>}	O(C[6]C[6]N[6])	120.1630	0.000	1	120.1630	0.000	1	121.7941	1.021	8	121.6613	0.919	21	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6]N[6])	120.7730	0.000	1	120.7730	0.000	1	121.7941	1.021	8	121.6613	0.919	21	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(O)	N[6](C[5,6]C[5,6]C[6a]O[5])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[5,6]C[5,6]C[6a]O[5])(C[6]C[6]O)(H){1|C<4>,3|H<1>,4|C<3>}	O(C[6]C[6]N[6])	121.3870	0.000	1	121.3870	0.000	1	121.7941	1.021	8	121.6613	0.919	21	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6]H)(C[6]N[6]CH)(O)	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[5,6]H)(C[6]N[6]CH)(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	O(C[6]C[6]N[6])	122.7407	0.520	3	122.5037	0.405	4	121.7941	1.021	8	121.6613	0.919	21	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6]H)(C[6]N[6]CH)(O)	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[5,6]H)(C[6]N[6]CH)(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|O<1>,2|C<4>,2|N<3>,5|H<1>}	O(C[6]C[6]N[6])	121.7930	0.000	1	122.5037	0.405	4	121.7941	1.021	8	121.6613	0.919	21	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[5,6]H)(C[6]N[6]CS)(O)	N[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[5,6]H)(C[6]N[6]CS)(O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	N[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	122.0150	0.000	1	122.0150	0.000	1	121.7941	1.021	8	121.6613	0.919	21	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){4|C<4>,4|H<1>}	O(C[6]C[6]N[6])	120.5440	0.000	1	120.5440	0.000	1	121.6411	1.495	7	121.6613	0.919	21	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O)	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(O){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H){3|C<4>,5|H<1>}	O(C[6]C[6]N[6])	120.3985	0.063	2	120.3985	0.004	2	121.6411	1.495	7	121.6613	0.919	21	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6]H)(C[6]N[6]CC)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6]H)(C[6]N[6]CC)(O){2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	O(C[6]C[6]N[6])	122.8720	0.000	1	122.8720	0.000	1	121.6411	1.495	7	121.6613	0.919	21	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6]H)(C[6]N[6]CH)(O)	N[6](C[6,6]C[6]3)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6]H)(C[6]N[6]CH)(O){1|C<3>,3|C<4>}	N[6](C[6,6]C[6]3)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	O(C[6]C[6]N[6])	122.8885	0.169	2	122.8885	0.029	2	121.6411	1.495	7	121.6613	0.919	21	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6]H)(C[6]O[6]HH)(O)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6]H)(C[6]O[6]HH)(O){1|C<4>,1|H<1>,1|O<2>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6]N[6])	121.4980	0.000	1	121.4980	0.000	1	121.6411	1.495	7	121.6613	0.919	21	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:2:	3:	N[6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-3:O-2:	C[6]-3:	C[6](N[6]C[6,6]O)(C[6]O[6]CC)(O)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6]O)(C[6]O[6]CC)(O){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>}	O(C[6]C[6]N[6])	123.1000	0.000	1	123.1000	0.000	1	123.1000	0.000	1	122.2315	1.509	2	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:2:	3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6]-3:N[6]-2:	C[6]-3:	C[6](N[6]C[6]N[6])(C[6]C[6]HH)(O)	N[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6])	O(C[6]C[6]N[6])	C[6](N[6]C[6]N[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6]){1|C<3>,3|C<4>,6|H<1>}	O(C[6]C[6]N[6])	121.3630	0.000	1	121.3630	0.000	1	121.3630	0.000	1	122.2315	1.509	2	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[3,6]C[3,5,6]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[3,6]C[3,5,6]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<3>,6|C<4>}	O(C[6]C[6]N[6])	122.2540	0.235	4	122.2540	0.055	4	121.6379	0.363	27	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[3,6]C[3]2C[6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|H<1>,4|C<3>}	N[6](C[3,6]C[3]2C[6])(C[6a]C[6a]2)(C[6]C[6]O){3|C<3>,8|C<4>}	O(C[6]C[6]N[6])	121.0700	0.000	1	121.0700	0.000	1	121.6379	0.363	27	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|C<2>,2|H<1>,4|C<3>,4|C<4>}	O(C[6]C[6]N[6])	120.5480	0.335	2	121.4416	0.431	14	121.6379	0.363	27	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<4>,6|C<3>}	O(C[6]C[6]N[6])	121.1328	0.206	4	121.4416	0.431	14	121.6379	0.363	27	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){3|H<1>,4|C<4>,5|C<3>}	O(C[6]C[6]N[6])	121.1535	0.291	2	121.4416	0.431	14	121.6379	0.363	27	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,4|C<3>,5|C<4>}	O(C[6]C[6]N[6])	122.1230	0.498	2	121.4416	0.431	14	121.6379	0.363	27	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,4|C<4>,5|C<3>}	O(C[6]C[6]N[6])	121.6175	0.327	2	121.4416	0.431	14	121.6379	0.363	27	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	N[6](C[3,6]C[3]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<3>,4|C<4>}	O(C[6]C[6]N[6])	122.3840	0.115	2	121.4416	0.431	14	121.6379	0.363	27	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[3,6]C[3]N[3]N[6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<2>,1|N<3>,1|O<1>,3|C<3>}	N[6](C[3,6]C[3]N[3]N[6])(C[6a]C[6a]2)(C[6]C[6]O){4|C<4>,5|C<3>}	O(C[6]C[6]N[6])	122.1700	0.494	2	122.1700	0.244	2	121.6379	0.363	27	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[3,6]C[3]N[6]O[3])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6](C[3,6]C[3]N[6]O[3])(C[6a]C[6a]2)(C[6]C[6]O){1|H<1>,4|C<4>,5|C<3>}	O(C[6]C[6]N[6])	121.5150	0.347	4	121.5150	0.121	4	121.6379	0.363	27	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[3,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[3,6]C[3]N[6]P[3])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[3,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,1|P<2>,3|C<3>}	N[6](C[3,6]C[3]N[6]P[3])(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,5|C<4>}	O(C[6]C[6]N[6])	121.7775	0.118	2	121.7775	0.014	2	121.6379	0.363	27	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<4>,6|C<3>}	O(C[6]C[6]N[6])	121.3630	0.331	2	121.0320	0.193	4	121.0110	0.147	5	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,1|O<1>,4|C<4>,5|C<3>}	O(C[6]C[6]N[6])	120.7010	0.174	2	121.0320	0.193	4	121.0110	0.147	5	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[5,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O){5|C<3>,6|C<4>}	O(C[6]C[6]N[6])	120.9270	0.000	1	120.9270	0.000	1	121.0110	0.147	5	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CC)(O)	N[6](C[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6]C[6a])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,4|C<3>}	N[6](C[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|O<1>,4|C<4>,6|C<3>}	O(C[6]C[6]N[6])	120.1835	0.073	2	120.1835	0.005	2	120.1835	0.005	2	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CH)(O)	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6]N[6])	123.2120	0.000	1	123.2120	0.000	1	121.6845	1.304	32	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]CH)(O)	N[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6,6]CH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]N[6])	120.2140	0.000	1	120.2140	0.000	1	121.6845	1.304	32	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6]B[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|B<3>,2|C<3>}	N[6](C[6]B[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,4|C<4>,4|O<2>}	O(C[6]C[6]N[6])	121.5465	0.037	2	121.5465	0.001	2	121.6845	1.304	32	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6]B[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<3>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]B[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){2|O<2>,4|C<3>,4|C<4>}	O(C[6]C[6]N[6])	122.5380	0.272	2	122.5380	0.074	2	121.6845	1.304	32	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6]B[6,6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|B<3>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]B[6,6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,6|C<4>}	O(C[6]C[6]N[6])	122.2630	0.874	2	122.2630	0.764	2	121.6845	1.304	32	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O){2|C<3>,7|C<4>}	O(C[6]C[6]N[6])	119.1150	0.000	1	119.1150	0.000	1	121.6845	1.304	32	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O)	N[6](C[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(O){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,4|C<4>}	O(C[6]C[6]N[6])	120.8755	0.156	2	120.8755	0.024	2	121.6845	1.304	32	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(O){1|N<3>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	O(C[6]C[6]N[6])	122.1970	0.000	1	122.1970	0.000	1	121.6845	1.304	32	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	O(C[6]C[6]N[6])	121.1780	0.000	1	121.1780	0.000	1	121.6845	1.304	32	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	O(C[6]C[6]N[6])	121.1533	1.042	3	121.2230	0.744	4	121.6845	1.304	32	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|H<1>,3|C<3>,3|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	O(C[6]C[6]N[6])	121.4320	0.000	1	121.2230	0.744	4	121.6845	1.304	32	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|S<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	O(C[6]C[6]N[6])	120.7652	0.945	4	120.9048	0.768	5	121.6845	1.304	32	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O)	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(O){1|S<3>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	O(C[6]C[6]N[6])	121.4630	0.000	1	120.9048	0.768	5	121.6845	1.304	32	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(O)	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(O){1|S<3>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	O(C[6]C[6]N[6])	120.8205	0.688	2	120.8205	0.473	2	121.6845	1.304	32	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]N[6,6]HH)(O)	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]N[6,6]HH)(O){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,5|C<3>,5|H<1>}	O(C[6]C[6]N[6])	122.6683	0.471	3	122.6683	0.222	3	121.6845	1.304	32	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,5|C<3>,5|H<1>}	O(C[6]C[6]N[6])	122.0720	0.000	1	122.1670	0.018	2	121.6845	1.304	32	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(O){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<4>,5|C<3>,5|H<1>}	O(C[6]C[6]N[6])	122.2620	0.000	1	122.1670	0.018	2	121.6845	1.304	32	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]O[6]CC)(O)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]O[6]CC)(O){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	O(C[6]C[6]N[6])	123.0260	0.296	2	123.0260	0.087	2	121.6845	1.304	32	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){2|O<2>,3|C<3>,4|H<1>}	O(C[6]C[6]N[6])	124.0940	0.000	1	124.0940	0.000	1	121.6845	1.304	32	121.5689	0.868	66	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[3,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[3,6]C)(C[6]N[6]CH)(O)	N[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](N[6]C[3,6]C)(C[6]N[6]CH)(O){1|C<3>,3|C<4>}	N[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	O(C[6]C[6]N[6])	124.2670	0.000	1	124.2670	0.000	1	124.2670	0.000	1	121.7088	2.690	5	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[3x6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(O)	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(O){2|H<1>,3|C<4>}	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]O)(CCHH){1|C<3>,3|C<4>,7|H<1>}	O(C[6]C[6]N[6])	120.4730	0.000	1	120.4730	0.000	1	120.4730	0.000	1	121.7088	2.690	5	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[5,6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5,6,6]C)(C[6]C[6,6]HP)(O)	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](N[6]C[5,6,6]C)(C[6]C[6,6]HP)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|P<4>,3|C<4>,4|H<1>}	O(C[6]C[6]N[6])	121.6060	0.000	1	121.6060	0.000	1	121.6060	0.000	1	121.7088	2.690	5	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5,6]C)(C[6]C[6]CC)(O)	N[6](C[5,6]C[5,6a]2N[6])(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](N[6]C[5,6]C)(C[6]C[6]CC)(O){1|N<3>,1|O<1>,2|C<3>}	N[6](C[5,6]C[5,6a]2N[6])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,5|C<3>}	O(C[6]C[6]N[6])	120.1160	0.000	1	120.1160	0.000	1	121.0990	1.933	2	121.7088	2.690	5	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:3:4:	3:	N[6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(O)	N[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6]O)(CC[6a]HH){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]N[6])	122.0820	0.000	1	122.0820	0.000	1	121.0990	1.933	2	121.7088	2.690	5	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:4:3:	3:	N[6]-3:C[6]-4:O-1:	C[5,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(O)	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(O){3|H<1>,4|C<4>}	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,4|H<1>,6|C<4>}	O(C[6]C[6]N[6])	122.2450	0.000	1	122.2450	0.000	1	122.2450	0.000	1	122.8567	1.045	3	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:4:3:	3:	N[6]-3:C[6]-4:O-1:	C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(O)	N[6](C[5]C[5]2Fe)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(O){1|Fe<10>,3|C<4>,4|H<1>}	N[6](C[5]C[5]2Fe)(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,6|H<1>}	O(C[6]C[6]N[6])	122.2880	0.000	1	122.2880	0.000	1	123.1625	1.530	2	122.8567	1.045	3	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	3:4:1:	4:4:3:	3:	N[6]-3:C[6]-4:O-1:	C[5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(O)	N[6](C[5]C[5,6a]2H)(C[6]C[6,6]HH)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[5]C[5,6a]2H)(C[6]C[6,6]HH)(C[6]C[6]O){2|H<1>,2|O<2>,5|C<3>}	O(C[6]C[6]N[6])	124.0370	0.000	1	124.0370	0.000	1	123.1625	1.530	2	122.8567	1.045	3	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	2:3:1:	3:	C[6]-4:N[6]-3:O-1:	N[6]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6]HH)(N[6]N[6]H)(O)	N[6](N[6]C[6,6])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](N[6]C[6,6])(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]N[6])	121.2440	1.113	2	121.2440	1.239	2	121.5963	0.992	3	121.5963	0.992	3	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	2:3:1:	3:	C[6]-4:N[6]-3:O-1:	N[6]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[5,6]HH)(N[6]N[6]H)(O)	N[6](N[6]C[5,6])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[5,6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>}	N[6](N[6]C[5,6])(C[6]C[6]O)(H){2|H<1>,2|N<3>}	O(C[6]C[6]N[6])	122.3010	0.000	1	122.3010	0.000	1	121.5963	0.992	3	121.5963	0.992	3	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	2:3:3:	3:	C[6]-4:N[6]-3:O-1:	N[6]-2:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6,6]C[6a]H)(N[6]N[6]C)(O)	N[6](N[6]C[6,6])(C[6]C[6]O)(COO)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6]C[6a]H)(N[6]N[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	N[6](N[6]C[6,6])(C[6]C[6]O)(COO){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]N[6])	122.2050	0.000	1	122.2050	0.000	1	122.2050	0.000	1	122.2050	0.000	1	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	2:3:4:	3:	C[6]-4:N[6]-3:O-1:	N[6]-2:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5,6]HH)(N[6]N[6]C)(O)	N[6](N[6]C[5,6])(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[5,6]HH)(N[6]N[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](N[6]C[5,6])(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]N[6])	121.7360	0.000	1	121.7360	0.000	1	121.3910	0.238	2	121.3910	0.238	2	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	2:3:4:	3:	C[6]-4:N[6]-3:O-1:	N[6]-2:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6]HH)(N[6]N[6]C)(O)	N[6](N[6]C[6,6])(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6]HH)(N[6]N[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](N[6]C[6,6])(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]N[6])	121.0460	0.000	1	121.0460	0.000	1	121.3910	0.238	2	121.3910	0.238	2	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:2:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]N[6]H)(O)	N[6](C[6]C[6]O)(N[6]C[6])(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]O)(N[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]N[6])	120.7480	0.044	2	120.8526	0.156	5	121.9309	1.388	11	121.9309	1.388	11	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:2:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]N[6]H)(O)	N[6](C[6]C[6]O)(N[6]C[6])(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]N[6]H)(O){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(N[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]N[6])	120.9223	0.541	3	120.8526	0.156	5	121.9309	1.388	11	121.9309	1.388	11	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:2:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(O)	N[6](C[6]C[6]O)(N[6]C[6])(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(O){1|C<4>,3|C<3>}	N[6](C[6]C[6]O)(N[6]C[6])(H){1|H<1>,1|N<3>,2|C<3>}	O(C[6]C[6]N[6])	122.9275	0.417	4	122.9275	0.174	4	121.9309	1.388	11	121.9309	1.388	11	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:2:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]N[6]H)(O)	N[6](C[6]C[6]O)(N[6]C[6])(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]N[6]H)(O){2|C<3>}	N[6](C[6]C[6]O)(N[6]C[6])(H){1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]N[6])	121.6430	0.000	1	121.6430	0.000	1	121.9309	1.388	11	121.9309	1.388	11	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:2:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:	C[6](C[6]O[6]HH)(N[6]N[6]H)(O)	N[6](C[6]C[6]O)(N[6]C[6])(H)	O(C[6]C[6]N[6])	C[6](C[6]O[6]HH)(N[6]N[6]H)(O){1|C<3>}	N[6](C[6]C[6]O)(N[6]C[6])(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[6]N[6])	123.6240	0.000	1	123.6240	0.000	1	121.9309	1.388	11	121.9309	1.388	11	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[4,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,5]C[4,6]O)(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(H)	O(C[6]C[4,6]N[6])	C[6](C[4,6]C[4,5]C[4,6]O)(N[6]C[6,6a]H)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[4,6]N[6])	121.7290	0.000	1	121.7290	0.000	1	121.7580	0.002	2	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[4,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(H)	O(C[6]C[4,6]N[6])	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[4,6]N[6])	121.7870	0.000	1	121.7870	0.000	1	121.7580	0.002	2	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[4,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]2C)(N[6]C[6]H)(O)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(H)	O(C[6]C[4,6]N[6])	C[6](C[4,6]C[4,6]2C)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[6](C[6]C[4,6]O)(C[6]N[6]O)(H){1|H<1>,3|C<4>}	O(C[6]C[4,6]N[6])	121.3270	0.573	2	121.3270	0.328	2	122.0007	0.716	4	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[4,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]F)(N[6]C[6]H)(O)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(H)	O(C[6]C[4,6]N[6])	C[6](C[4,6]C[4,6]C[4]F)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6](C[6]C[4,6]O)(C[6]N[6]O)(H){1|F<1>,1|H<1>,2|C<4>}	O(C[6]C[4,6]N[6])	122.6745	0.066	2	122.6745	0.004	2	122.0007	0.716	4	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[5,5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]O)(H)	O(C[6]C[5,5,6]N[6])	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6,6a]H)(O){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[5,5,6]N[6])	121.7782	0.347	4	121.8332	0.106	5	121.8332	0.106	5	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[5,5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]O)(H)	O(C[6]C[5,5,6]N[6])	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6,6a]H)(O){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[5,5,6]N[6])	122.0530	0.000	1	121.8332	0.106	5	121.8332	0.106	5	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[5,5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,5,6]C[5,5]N[5,6]O[5])(N[6]C[6]H)(O)	N[6](C[6]C[5,5,6]O)(C[6]C[6]C)(H)	O(C[6]C[5,5,6]N[6])	C[6](C[5,5,6]C[5,5]N[5,6]O[5])(N[6]C[6]H)(O){1|H<1>,2|C<3>,4|C<4>}	N[6](C[6]C[5,5,6]O)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	O(C[6]C[5,5,6]N[6])	124.4800	0.000	1	124.4800	0.000	1	124.4800	0.000	1	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]H)(O){2|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[5,6]N[6])	121.0520	0.844	2	121.0520	0.713	2	121.6487	0.623	18	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O){2|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]N[6])	122.5940	0.916	4	122.1503	0.995	6	121.6487	0.623	18	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]N[6])	121.2630	0.311	2	122.1503	0.995	6	121.6487	0.623	18	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O){1|N<3>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[5,6]N[6])	121.7790	0.000	1	121.4112	0.156	8	121.6487	0.623	18	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[5,6]N[6])	120.8090	0.154	2	121.4112	0.156	8	121.6487	0.623	18	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[5,6]N[6])	121.5786	0.130	5	121.4112	0.156	8	121.6487	0.623	18	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6,6a]H)(O){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[5,6]N[6])	120.9350	0.000	1	120.9350	0.000	1	121.6487	0.623	18	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[6,6a]H)(O){1|C<4>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	O(C[6]C[5,6]N[6])	122.4460	0.000	1	122.4460	0.000	1	121.6487	0.623	18	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]H)(O){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H){1|Fe<10>,2|C<3>,3|C<4>}	O(C[6]C[5,6]N[6])	121.8700	0.000	1	121.8700	0.000	1	121.7579	0.862	18	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)2(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[6](C[6]C[5,6]O)2(H){1|H<1>,1|N<3>,3|C<4>}	O(C[6]C[5,6]N[6])	120.7070	0.000	1	120.7070	0.000	1	121.7579	0.862	18	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)2(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]H)(O){1|O<1>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]O)2(H){1|H<1>,1|N<3>,3|C<4>}	O(C[6]C[5,6]N[6])	120.4800	0.000	1	120.4800	0.000	1	121.7579	0.862	18	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[5,6]N[6])	121.0482	0.336	4	121.2050	0.241	6	121.7579	0.862	18	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O){1|C<3>,1|N<2>,2|H<1>,2|N<3>,2|O<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[5,6]N[6])	121.5185	0.756	2	121.2050	0.241	6	121.7579	0.862	18	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>,2|C<4>}	O(C[6]C[5,6]N[6])	121.1880	0.000	1	121.9976	0.644	5	121.7579	0.862	18	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|N<3>,2|O<1>,3|C<3>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[5,6]N[6])	122.2000	0.765	4	121.9976	0.644	5	121.7579	0.862	18	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6]H)(O){3|H<1>,4|C<3>}	N[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	O(C[6]C[5,6]N[6])	123.3595	0.305	2	123.3595	0.093	2	121.7579	0.862	18	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H){1|H<1>,1|N<3>,3|C<4>}	O(C[6]C[5,6]N[6])	122.3245	0.375	2	122.3245	0.141	2	121.7579	0.862	18	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6]H)(O){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(C[6]C[6,6]N[6])	119.8900	0.000	1	119.8900	0.000	1	119.8900	0.000	1	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]H)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[6,6]N[6])	121.2920	0.653	3	121.2920	0.427	3	121.2920	0.427	3	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|O<1>,2|C<4>,2|N<3>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6,6]N[6])	121.6670	0.000	1	121.6670	0.000	1	120.5197	0.571	31	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)2(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|O<1>,3|C<4>}	N[6](C[6]C[6,6]O)2(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6]N[6])	120.8815	0.532	2	120.8815	0.284	2	120.5197	0.571	31	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|N<3>,2|O<1>,3|H<1>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,3|C<4>}	O(C[6]C[6,6]N[6])	120.1540	0.000	1	120.1540	0.000	1	120.5197	0.571	31	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)2(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(O){1|O<1>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)2(H){5|C<4>}	O(C[6]C[6,6]N[6])	119.9305	0.639	2	119.9305	0.408	2	120.5197	0.571	31	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)2(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	N[6](C[6]C[6,6]O)2(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6]N[6])	121.2193	0.495	4	120.5103	0.797	16	120.5197	0.571	31	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)2(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	N[6](C[6]C[6,6]O)2(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6]N[6])	121.1965	0.269	4	120.5103	0.797	16	120.5197	0.571	31	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)2(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|O<1>,3|C<4>}	N[6](C[6]C[6,6]O)2(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6]N[6])	120.8750	0.115	2	120.5103	0.797	16	120.5197	0.571	31	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)2(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){1|O<1>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)2(H){2|H<1>,3|C<4>}	O(C[6]C[6,6]N[6])	119.4587	0.198	6	120.5103	0.797	16	120.5197	0.571	31	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]H)(O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]N[6])	120.5280	0.000	1	120.5280	0.000	1	120.5197	0.571	31	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]H)(O){1|O<1>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H){2|C<3>,2|C<4>}	O(C[6]C[6,6]N[6])	120.0810	0.547	2	120.0810	0.300	2	120.5197	0.571	31	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H){2|C<3>,2|C<4>}	O(C[6]C[6,6]N[6])	120.9440	0.683	2	120.9440	0.467	2	120.5197	0.571	31	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6]N[6])	120.1480	0.240	2	120.4805	0.184	4	120.5197	0.571	31	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|N<2>,2|C<3>,2|H<1>,2|N<3>,2|O<1>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6]N[6])	120.8130	0.231	2	120.4805	0.184	4	120.5197	0.571	31	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5a]N[6]H)(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6]H)(N[6]C[6,6a]H)(O){1|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6]N[6])	122.1235	0.290	4	122.1235	0.084	4	122.0498	0.090	5	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6]HH)(N[6]C[6,6a]H)(O)	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6]HH)(N[6]C[6,6a]H)(O){2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6])	121.7550	0.000	1	121.7550	0.000	1	122.0498	0.090	5	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	121.5530	0.000	1	121.5530	0.000	1	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(O)	N[6](C[6]N[5,6]S)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	N[6](C[6]N[5,6]S)(C[6]C[6]O)(H){2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	121.1840	0.731	2	121.1840	0.535	2	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|O<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	120.1780	0.747	2	120.1780	0.558	2	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]N)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(O){1|H<1>,1|N<2>,2|C<4>}	N[6](C[6]C[6,6]N)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]N[6])	121.0590	0.000	1	121.0590	0.000	1	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	119.8950	0.000	1	119.8950	0.000	1	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(O){1|O<1>,3|C<4>}	N[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	O(C[6]C[6]N[6])	119.5360	0.062	2	119.5360	0.004	2	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6a]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]C)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]CC)(N[6]C[6]H)(O){3|C<3>}	N[6](C[6]C[6,6a]C)(C[6]C[6]O)(H){2|C<3>,2|C<4>}	O(C[6]C[6]N[6])	122.0970	0.000	1	122.0970	0.000	1	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]2C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]2C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<3>,2|C<4>}	O(C[6]C[6]N[6])	120.9960	0.000	1	119.5934	0.542	7	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]2C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]2C)(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]N[6])	119.3597	0.437	6	119.5934	0.542	7	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Br2)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]Br2)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|Br<1>,1|C<3>,1|H<1>}	O(C[6]C[6]N[6])	121.9689	0.838	9	121.9689	0.702	9	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|H<1>,3|C<4>}	O(C[6]C[6]N[6])	121.1890	0.000	1	121.1890	0.000	1	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]N[6])	120.0960	0.074	2	120.1294	0.064	5	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,2|C<4>}	O(C[6]C[6]N[6])	120.1517	0.350	3	120.1294	0.064	5	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,2|C<4>}	O(C[6]C[6]N[6])	120.3025	0.100	2	120.3303	0.264	75	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<2>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,2|C<4>}	O(C[6]C[6]N[6])	120.5260	0.000	1	120.3303	0.264	75	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|O<2>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,2|C<4>}	O(C[6]C[6]N[6])	119.4190	0.000	1	120.3303	0.264	75	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]N[6])	120.1980	0.402	53	120.3303	0.264	75	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,3|C<4>}	O(C[6]C[6]N[6])	119.0160	0.000	1	120.3303	0.264	75	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Co<4>,1|C<3>,2|C<4>}	O(C[6]C[6]N[6])	120.8920	0.000	1	120.3303	0.264	75	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Cu<4>,1|C<3>,2|C<4>}	O(C[6]C[6]N[6])	121.2540	0.000	1	120.3303	0.264	75	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Cu<5>,1|C<3>,2|C<4>}	O(C[6]C[6]N[6])	121.0033	0.379	3	120.3303	0.264	75	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Ni<5>,1|C<3>,2|C<4>}	O(C[6]C[6]N[6])	121.0560	0.082	2	120.3303	0.264	75	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Ni<6>,1|C<3>,2|C<4>}	O(C[6]C[6]N[6])	120.6720	0.635	2	120.3303	0.264	75	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,2|C<4>}	O(C[6]C[6]N[6])	120.6547	0.664	3	120.3303	0.264	75	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Pt<4>,1|C<3>,2|C<4>}	O(C[6]C[6]N[6])	120.8005	0.477	2	120.3303	0.264	75	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Zn<5>,1|C<3>,2|C<4>}	O(C[6]C[6]N[6])	121.1010	0.243	2	120.3303	0.264	75	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<3>,2|C<4>}	O(C[6]C[6]N[6])	120.3340	0.000	1	120.3303	0.264	75	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|S<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]N[6])	120.2458	0.478	4	120.2458	0.228	4	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CH)(N[6]C[6]H)(O){1|C<3>,3|C<4>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<2>,1|C<4>,2|H<1>}	O(C[6]C[6]N[6])	123.7720	0.000	1	123.7720	0.000	1	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CH)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	122.5420	0.000	1	122.5420	0.000	1	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CN)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CN)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	O(C[6]C[6]N[6])	123.4690	0.000	1	123.4690	0.000	1	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CO)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CO)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|O<2>,3|C<4>}	O(C[6]C[6]N[6])	122.4735	0.641	2	121.9617	0.699	4	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CO)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CO)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]N[6])	121.4500	0.799	2	121.9617	0.699	4	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|Cl<1>,1|C<4>,1|H<1>}	O(C[6]C[6]N[6])	122.5520	0.000	1	122.6975	0.260	17	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|Cl<1>,1|C<3>,1|H<1>}	O(C[6]C[6]N[6])	122.7066	0.525	16	122.6975	0.260	17	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]DyN)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]DyN)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|O<2>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|Dy<21>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]N[6])	120.5740	0.825	3	120.5740	0.681	3	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<2>,1|C<4>,2|H<1>}	O(C[6]C[6]N[6])	121.4327	0.234	6	121.3305	0.189	8	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]N[6])	121.6550	0.000	1	121.3305	0.189	8	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]N[6])	120.3930	0.000	1	121.3305	0.189	8	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]C[6]S)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|S<2>,2|H<1>}	N[6](C[6]C[6]O)(C[6]C[6]S)(H){1|C<4>,4|H<1>}	O(C[6]C[6]N[6])	118.0400	0.190	2	118.0400	0.036	2	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<4>,1|W<6>,2|H<1>}	O(C[6]C[6]N[6])	126.9450	0.000	1	120.6372	1.005	70	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	121.1235	0.090	2	120.6372	1.005	70	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|N<3>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	119.8150	0.000	1	120.6372	1.005	70	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,3|H<1>}	O(C[6]C[6]N[6])	120.5393	0.653	66	120.6372	1.005	70	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<4>,2|H<1>}	O(C[6]C[6]N[6])	121.4742	0.331	4	121.4742	0.109	4	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]S[6]C)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|S<2>,2|H<1>}	N[6](C[6]C[6]O)(C[6]S[6]C)(H){1|C<4>,2|H<1>}	O(C[6]C[6]N[6])	118.8280	0.253	2	118.8280	0.064	2	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]S[6]N)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|N<2>,1|S<2>,2|H<1>}	N[6](C[6]C[6]O)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	O(C[6]C[6]N[6])	120.2240	0.000	1	120.2240	0.000	1	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]N[6])	119.7480	0.566	2	119.5066	0.285	38	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]O)2(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	119.1210	0.000	1	119.5066	0.285	38	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]O)2(H){1|C<4>,1|F<1>,1|N<3>,2|H<1>}	O(C[6]C[6]N[6])	119.6172	0.426	4	119.5066	0.285	38	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]N[6])	119.7425	0.499	11	119.5066	0.285	38	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	O(C[6]C[6]N[6])	119.2124	0.600	14	119.5066	0.285	38	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	O(C[6]C[6]N[6])	119.4690	0.013	2	119.5066	0.285	38	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|O<1>,3|C<4>}	N[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	O(C[6]C[6]N[6])	119.7710	0.183	4	119.5066	0.285	38	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6])	121.6460	0.000	1	121.6460	0.000	1	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HN)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HN)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<2>,2|H<1>}	O(C[6]C[6]N[6])	121.0325	0.255	2	121.0325	0.065	2	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HO)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HO)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]N[6])	120.2150	0.000	1	120.2150	0.000	1	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N[5]F)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]N[5]F)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6]O)2(H){1|C<4>,1|F<1>,1|N<3>,2|H<1>}	O(C[6]C[6]N[6])	123.1895	0.554	4	123.1895	0.307	4	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]N[6])	120.8012	0.220	4	120.8824	0.041	12	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]N[6])	120.7030	0.000	1	120.8824	0.041	12	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]N[6])	120.9544	0.185	7	120.8824	0.041	12	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O){1|N<2>,2|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	O(C[6]C[6]N[6])	121.4660	0.000	1	120.6536	0.227	7	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]N[6]C)(N[6]C[6]H)(O){1|N<3>,2|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]N[6])	120.5182	0.345	6	120.6536	0.227	7	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]N[6]H)(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]N[6])	122.2000	0.000	1	122.2000	0.000	1	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]OO)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]OO)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|O<2>}	O(C[6]C[6]N[6])	121.9325	0.933	4	121.9325	0.870	4	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]N[6])	120.4963	0.384	20	120.5282	0.162	21	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<3>,2|C<4>}	O(C[6]C[6]N[6])	121.1670	0.000	1	120.5282	0.162	21	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){2|C<3>,2|C<4>}	O(C[6]C[6]N[6])	120.8920	0.000	1	120.8920	0.000	1	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6]O)2(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	119.8030	0.000	1	119.8030	0.000	1	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6a]C[6]N)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]N)(N[6]C[6]H)(O){1|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	O(C[6]C[6]N[6])	123.5930	0.000	1	123.5930	0.000	1	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6a]C[6]O)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]O)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6]N[6])	121.4115	0.050	4	121.4115	0.003	4	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6,6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]C)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6,6]CH)(N[6]C[6]H)(O){1|C<3>,2|C<4>}	N[6](C[6]C[6,6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	O(C[6]C[6]N[6])	123.0620	0.000	1	123.0620	0.000	1	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]C)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){3|C<3>}	N[6](C[6]C[6,6a]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	O(C[6]C[6]N[6])	124.4170	0.000	1	124.4170	0.000	1	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	122.2020	0.495	2	122.2020	0.245	2	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]N[6])	124.6010	0.000	1	124.6010	0.000	1	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){3|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	123.3520	0.126	2	123.3520	0.016	2	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]O)2(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|O<1>,2|C<4>}	N[6](C[6]C[6]O)2(H){1|N<3>,4|H<1>}	O(C[6]C[6]N[6])	121.3730	0.124	2	121.3730	0.015	2	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]O[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6a]N[6])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]O[6]HH)(N[6]C[6]H)(O){1|C<3>,1|N<2>}	N[6](C[6]C[6a]N[6])(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	123.1330	0.000	1	123.1330	0.000	1	120.7276	1.369	333	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]N[6]H)(O)	N[6](C[6]C[6]O)(N[6]C[6]C)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	121.3870	0.000	1	121.3870	0.000	1	122.0355	0.841	2	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]N[6]H)(O)	N[6](C[6]C[6]O)(N[6]C[6]C)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]N[6]H)(O){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	122.6840	0.000	1	122.6840	0.000	1	122.0355	0.841	2	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]N[6]H)(O)	N[6](N[6]C[6]Co)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]N[6]H)(O){1|Co<6>,1|C<3>,2|H<1>}	N[6](N[6]C[6]Co)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]N[6])	119.6670	0.000	1	119.6670	0.000	1	120.3740	1.000	2	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:1:	3:	C[6]-4:N[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[5a,6]HH)(N[6]N[6]H)(O)	N[6](N[6]C[5a,6]C)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[5a,6]HH)(N[6]N[6]H)(O){1|C<3>,1|C<4>,1|N<2>}	N[6](N[6]C[5a,6]C)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|H<1>}	O(C[6]C[6]N[6])	121.0810	0.000	1	121.0810	0.000	1	120.3740	1.000	2	120.8558	1.354	425	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:2:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]O)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]C)(OC[6])	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]O)(O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]C)(OC[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[5,6]N[6])	123.7290	0.000	1	123.7290	0.000	1	123.7290	0.000	1	121.0183	7.303	10	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:2:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(O){1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC){1|C<4>,3|C<3>}	O(C[6]C[6]N[6])	120.2090	0.000	1	120.2090	0.000	1	120.7171	7.196	9	121.0183	7.303	10	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:2:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC){2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	120.8603	0.581	3	120.8603	0.338	3	120.7171	7.196	9	121.0183	7.303	10	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:2:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OH)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(O){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OH){2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	119.6280	0.000	1	119.6280	0.000	1	120.7171	7.196	9	121.0183	7.303	10	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:2:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]O)(O)	N[6](C[6]C[6]O)2(OC)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]O)(O){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]O)2(OC){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]N[6])	119.2065	2.139	2	119.2065	4.575	2	120.7171	7.196	9	121.0183	7.303	10	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:2:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]HN)(N[6]C[6]O)(O)	N[6](C[6]C[6]O)2(OC)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HN)(N[6]C[6]O)(O){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]O)2(OC){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]N[6])	122.8115	6.121	2	122.8115	37.472	2	120.7171	7.196	9	121.0183	7.303	10	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[3,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[3,6]C[6,6a]C[3]O[3])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]N)(C[6]C[3,6]O)(C[6a]C[6a]2)	O(C[6]C[3,6]N[6])	C[6](C[3,6]C[6,6a]C[3]O[3])(N[6]C[6a]C[6])(O){1|N<2>,5|C<3>}	N[6](C[6]C[6,6a]N)(C[6]C[3,6]O)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	O(C[6]C[3,6]N[6])	121.9290	0.000	1	121.9290	0.000	1	121.9290	0.000	1	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(COO)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(COO){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]N[6])	121.0940	0.000	1	120.5220	0.654	2	120.5220	0.654	2	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(COO)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O){1|N<3>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(COO){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]N[6])	119.9500	0.000	1	120.5220	0.654	2	120.5220	0.654	2	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]2)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6a]C[6])(O){1|H<1>,2|C<4>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(C[6a]C[6a]2){1|Fe<10>,2|H<1>,3|C<4>,4|C<3>}	O(C[6]C[5,6]N[6])	121.1065	0.486	2	121.1065	0.236	2	120.1751	0.560	14	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2){1|Si<4>,2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]N[6])	120.5350	0.447	4	120.3288	0.336	6	120.1751	0.560	14	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[5,6]N[6])	119.9165	0.754	2	120.3288	0.336	6	120.1751	0.560	14	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]Si)(N[6]C[6a]C[6])(O)	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]Si)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2){1|Si<4>,2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]N[6])	119.4170	0.568	4	119.4170	0.323	4	120.1751	0.560	14	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[5,6]O)2(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	O(C[6]C[5,6]N[6])	120.2990	0.430	2	120.2990	0.185	2	120.1751	0.560	14	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(O)	N[6](C[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(O){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[5,6]N[6])	121.2280	0.107	2	121.2280	0.012	2	120.7043	0.828	3	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(O)	N[6](C[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]N)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(O){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5,6]N[6])	119.6570	0.000	1	119.6570	0.000	1	120.7043	0.828	3	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){1|H<1>,2|C<3>,6|C<4>}	O(C[6]C[6,6]N[6])	119.4532	0.279	13	119.4477	0.084	17	119.5315	0.436	26	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){2|C<3>,2|H<1>,5|C<4>}	O(C[6]C[6,6]N[6])	119.4297	0.369	4	119.4477	0.084	17	119.5315	0.436	26	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){1|Si<4>,2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]N[6])	120.1230	0.051	2	119.8030	0.142	4	119.5315	0.436	26	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6]N[6])	119.4830	0.112	2	119.8030	0.142	4	119.5315	0.436	26	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]Si)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)(C[6]C[6,6]S)(C[6a]C[6a]2)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]Si)(N[6]C[6a]C[6])(O){1|S<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6,6]S)(C[6a]C[6a]2){1|Si<4>,2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]N[6])	118.1080	0.000	1	118.1080	0.000	1	119.5315	0.436	26	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]Si)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]Si)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)2(C[6a]C[6a]2){1|Si<4>,2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]N[6])	118.8860	0.078	2	118.8860	0.006	2	119.5315	0.436	26	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6]C[6,6]O)(C[6a]C[6a]2)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6,6]O)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6]N[6])	121.8250	0.000	1	121.0580	1.177	2	119.5315	0.436	26	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6]C[6,6]O)(C[6a]C[6a]2)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6a]C[6])(O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6,6]O)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6]N[6])	120.2910	0.000	1	121.0580	1.177	2	119.5315	0.436	26	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6]N[6])	120.5040	0.000	1	120.5040	0.000	1	120.9295	0.362	2	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O){1|O<1>,3|C<3>,4|C<4>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	O(C[6]C[6,6]N[6])	121.3550	0.000	1	121.3550	0.000	1	120.9295	0.362	2	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6a]O[6]C)(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]O[6]C)(N[6]C[6,6a]C)(O){4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[6]N[6])	121.5760	0.000	1	121.5760	0.000	1	121.5760	0.000	1	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CC[6a]O)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	N[6](C[6]C[6]O)2(CC[6a]O){1|C<4>,4|H<1>}	O(C[6]C[6]N[6])	118.5275	0.135	2	118.5275	0.018	2	119.2933	1.769	3	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(COO)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]O)(COO){2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	120.8250	0.000	1	120.8250	0.000	1	119.2933	1.769	3	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]CO)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]CO)(N[6]C[6a]C[6])(O){1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6]N[6])	121.0263	0.789	4	121.0263	0.623	4	120.8587	0.439	7	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(O){1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O){1|Br<1>,3|H<1>,4|C<3>}	O(C[6]C[6]N[6])	120.4320	0.000	1	120.3500	0.013	2	120.8587	0.439	7	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(O){1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O){1|Cl<1>,3|H<1>,4|C<3>}	O(C[6]C[6]N[6])	120.2680	0.000	1	120.3500	0.013	2	120.8587	0.439	7	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(O){1|H<1>,7|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	O(C[6]C[6]N[6])	121.2060	0.000	1	121.2060	0.000	1	120.8587	0.439	7	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]N[6]C)(O)	N[6](C[6]C[6]O)(N[6]C[6]C)(CCH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]N[6]C)(O){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(N[6]C[6]C)(CCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	122.4370	0.000	1	122.4370	0.000	1	122.4370	0.000	1	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]C[6]C)(N[6]C[6a]C[6])(O)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]C)(N[6]C[6a]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){2|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6]N[6])	120.6825	0.344	2	120.6825	0.119	2	121.1523	0.722	3	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(O)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(O){1|C<4>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O(C[6]C[6]N[6])	122.0920	0.000	1	122.0920	0.000	1	121.1523	0.722	3	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:3:	3:	C[6]-4:N[6]-3:O-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6,6a]CH)(N[6]N[6]C)(O)	N[6](N[6]C[6,6a]H)(C[6]C[6]O)(COO)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]CH)(N[6]N[6]C)(O){1|H<1>,2|C<3>}	N[6](N[6]C[6,6a]H)(C[6]C[6]O)(COO){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]N[6])	122.5740	0.000	1	122.5740	0.000	1	122.5740	0.000	1	120.1742	1.045	64	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[3,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[3,6]C[3]2C[6])(N[6]C[6]C)(O)	N[6](C[6]C[3,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[3,6]N[6])	C[6](C[3,6]C[3]2C[6])(N[6]C[6]C)(O){1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6](C[6]C[3,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	O(C[6]C[3,6]N[6])	121.9715	0.640	2	121.6720	0.267	4	121.6720	0.267	4	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[3,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[3,6]C[3]2C[6])(N[6]C[6]C)(O)	N[6](C[6]C[3,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[3,6]N[6])	C[6](C[3,6]C[3]2C[6])(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[6](C[6]C[3,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	O(C[6]C[3,6]N[6])	121.3725	0.179	2	121.6720	0.267	4	121.6720	0.267	4	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[3,6]-4:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:	C[6](C[3,6]C[3]2C[6])(N[6]C[6a]C[6])(O)	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	O(C[6]C[3,6]N[6])	C[6](C[3,6]C[3]2C[6])(N[6]C[6a]C[6])(O){1|C<1>,3|C<3>,6|H<1>}	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,1|H<1>,3|C<3>,3|C<4>}	O(C[6]C[3,6]N[6])	121.0720	0.000	1	121.0065	0.009	2	121.0065	0.009	2	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[3,6]-4:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:	C[6](C[3,6]C[3]2C[6])(N[6]C[6a]C[6])(O)	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	O(C[6]C[3,6]N[6])	C[6](C[3,6]C[3]2C[6])(N[6]C[6a]C[6])(O){4|C<3>,5|H<1>}	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,1|H<1>,2|C<4>,4|C<3>}	O(C[6]C[3,6]N[6])	120.9410	0.000	1	121.0065	0.009	2	121.0065	0.009	2	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[4,5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[4,5,6]C[4,5]C[4,6]C[5])(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,5,6]O)(CCHH)	O(C[6]C[4,5,6]N[6])	C[6](C[4,5,6]C[4,5]C[4,6]C[5])(N[6]C[6,6a]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,5,6]O)(CCHH){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[4,5,6]N[6])	121.9370	0.000	1	121.9370	0.000	1	121.9370	0.000	1	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[4,5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[4,5,6]C[4,5]C[4,6]C[5])(N[6]C[6]C)(O)	N[6](C[6]C[4,5,6]O)(C[6]C[6]H)(CH3)	O(C[6]C[4,5,6]N[6])	C[6](C[4,5,6]C[4,5]C[4,6]C[5])(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	N[6](C[6]C[4,5,6]O)(C[6]C[6]H)(CH3){1|H<1>,3|C<4>}	O(C[6]C[4,5,6]N[6])	121.2410	0.000	1	121.2410	0.000	1	121.2410	0.000	1	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[4,6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[4,6,6]C[6,6,6a]C[4,6]C[4])(N[6]C[6]C)(O)	N[6](C[6]C[4,6,6]O)(C[6]C[6,6a]O)(CH3)	O(C[6]C[4,6,6]N[6])	C[6](C[4,6,6]C[6,6,6a]C[4,6]C[4])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6](C[6]C[4,6,6]O)(C[6]C[6,6a]O)(CH3){1|C<4>,3|C<3>}	O(C[6]C[4,6,6]N[6])	120.9060	0.000	1	120.8275	0.373	4	120.8275	0.373	4	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[4,6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[4,6,6]C[6,6,6a]C[4,6]C[4])(N[6]C[6]C)(O)	N[6](C[6]C[4,6,6]O)(C[6]C[6,6a]O)(CH3)	O(C[6]C[4,6,6]N[6])	C[6](C[4,6,6]C[6,6,6a]C[4,6]C[4])(N[6]C[6]C)(O){1|H<1>,1|O<1>,5|C<3>}	N[6](C[6]C[4,6,6]O)(C[6]C[6,6a]O)(CH3){1|C<4>,3|C<3>}	O(C[6]C[4,6,6]N[6])	120.8013	0.745	3	120.8275	0.373	4	120.8275	0.373	4	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[4,6,6]-4:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:	C[6](C[4,6,6]C[4,6]2O[6])(N[6]C[6a]C[6])(O)	N[6](C[6]C[4,6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	O(C[6]C[4,6,6]N[6])	C[6](C[4,6,6]C[4,6]2O[6])(N[6]C[6a]C[6])(O){3|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[4,6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[4,6,6]N[6])	123.7857	0.429	3	123.7857	0.184	3	123.7857	0.184	3	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[4,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]C)(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CCHH)	O(C[6]C[4,6]N[6])	C[6](C[4,6]C[4,6]C[4]C)(N[6]C[6,6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CCHH){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[4,6]N[6])	121.3355	0.472	2	121.3355	0.222	2	121.4475	0.203	6	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[4,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]C)(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CH3)	O(C[6]C[4,6]N[6])	C[6](C[4,6]C[4,6]C[4]C)(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[4,6]N[6])	121.5035	0.501	4	121.5035	0.251	4	121.4475	0.203	6	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[4,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[4,6]C[4]2O[6])(N[6]C[6,6a]C[6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(C[6]C[6]2H)	O(C[6]C[4,6]N[6])	C[6](C[4,6]C[4]2O[6])(N[6]C[6,6a]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(C[6]C[6]2H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	O(C[6]C[4,6]N[6])	123.3850	0.000	1	123.3850	0.000	1	123.3850	0.000	1	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[4,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[4,6]C[4,6]2C)(N[6]C[6]C)(O)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[4,6]N[6])	C[6](C[4,6]C[4,6]2C)(N[6]C[6]C)(O){1|O<1>,2|N<3>,3|C<4>}	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){4|C<4>}	O(C[6]C[4,6]N[6])	121.1570	0.000	1	121.1570	0.000	1	121.7411	0.256	23	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[4,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[4,6]C[4,6]2H)(N[6]C[6]C)(O)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[4,6]N[6])	C[6](C[4,6]C[4,6]2H)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){1|H<1>,3|C<4>}	O(C[6]C[4,6]N[6])	121.9634	0.341	8	121.8683	0.129	13	121.7411	0.256	23	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[4,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[4,6]C[4,6]2H)(N[6]C[6]C)(O)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[4,6]N[6])	C[6](C[4,6]C[4,6]2H)(N[6]C[6]C)(O){1|O<1>,2|N<3>,3|C<4>}	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){1|H<1>,3|C<4>}	O(C[6]C[4,6]N[6])	121.7162	0.368	5	121.8683	0.129	13	121.7411	0.256	23	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[4,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]C)(N[6]C[6]C)(O)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[4,6]N[6])	C[6](C[4,6]C[4,6]C[4]C)(N[6]C[6]C)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){4|C<4>}	O(C[6]C[4,6]N[6])	121.3440	0.000	1	120.8775	0.435	2	121.7411	0.256	23	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[4,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]C)(N[6]C[6]C)(O)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[4,6]N[6])	C[6](C[4,6]C[4,6]C[4]C)(N[6]C[6]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){4|C<4>}	O(C[6]C[4,6]N[6])	120.4110	0.000	1	120.8775	0.435	2	121.7411	0.256	23	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[4,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[4,6]C[4,6]O[4]C)(N[6]C[6]C)(O)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[4,6]N[6])	C[6](C[4,6]C[4,6]O[4]C)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){1|O<2>,3|C<4>}	O(C[6]C[4,6]N[6])	121.4040	0.000	1	121.4040	0.000	1	121.7411	0.256	23	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[4,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[4,6]C[6,6a]C[4,5]O[4])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[4,6]O)(CH3)	O(C[6]C[4,6]N[6])	C[6](C[4,6]C[6,6a]C[4,5]O[4])(N[6]C[6]C)(O){1|N<2>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]O)(C[6]C[4,6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	O(C[6]C[4,6]N[6])	121.7620	0.416	5	121.7620	0.173	5	121.7411	0.256	23	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[4,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[4,6]N[4,6]C[6a]C[4])(N[6]C[6]C)(O)	N[6](C[6]C[4,6]O)(C[6]C[6]H)(CC[6a]HH)	O(C[6]C[4,6]N[6])	C[6](C[4,6]N[4,6]C[6a]C[4])(N[6]C[6]C)(O){1|H<1>,5|C<3>}	N[6](C[6]C[4,6]O)(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	O(C[6]C[4,6]N[6])	122.6320	0.000	1	122.6320	0.000	1	121.7411	0.256	23	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]N[5]O[6])(N[6]C[6]C)(O)	N[6](C[6]C[5,6,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[5,6,6]N[6])	C[6](C[5,6,6]C[5,6,6]N[5]O[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	N[6](C[6]C[5,6,6]O)(C[6]N[6]O)(CH3){1|N<3>,1|O<2>,2|C<4>}	O(C[6]C[5,6,6]N[6])	122.8720	0.226	2	122.8720	0.051	2	122.8720	0.051	2	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[5,6]N[6])	121.8160	0.044	2	121.6868	0.102	6	121.7781	0.167	15	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[5,6]N[6])	121.3945	0.501	2	121.6868	0.102	6	121.7781	0.167	15	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[5,6]N[6])	121.8540	0.000	1	121.6868	0.102	6	121.7781	0.167	15	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O){1|S<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[5,6]N[6])	121.8460	0.000	1	121.6868	0.102	6	121.7781	0.167	15	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6,6a]C)(O){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[5,6]N[6])	121.8530	0.366	2	121.8530	0.134	2	121.7781	0.167	15	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CC[6a]HH)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[5,6]N[6])	121.6440	0.000	1	121.6440	0.000	1	121.7781	0.167	15	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[6a]C[5])(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[6a]C[5])(N[6]C[6,6a]C)(O){1|Si<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[5,6]N[6])	121.1780	0.000	1	121.1780	0.000	1	121.7781	0.167	15	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]C)(O){1|O<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,5|C<3>}	O(C[6]C[5,6]N[6])	121.5650	0.253	2	121.5650	0.064	2	121.7781	0.167	15	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6a]C[5]N[6])(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6a]C[5]N[6])(N[6]C[6,6a]C)(O){1|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){1|H<1>,1|N<3>,4|C<3>}	O(C[6]C[5,6]N[6])	122.7130	0.000	1	122.7130	0.000	1	121.7781	0.167	15	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CCHH)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CCHH){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[5,6]N[6])	122.2080	0.000	1	122.2080	0.000	1	121.7781	0.167	15	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]Se[5]Se[6]N[5])(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]Se[5]Se[6]N[5])(N[6]C[6,6a]C)(O){1|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(CH3){2|Se<2>,1|H<1>,1|N<3>,2|C<3>}	O(C[6]C[5,6]N[6])	121.9720	0.000	1	121.9720	0.000	1	121.7781	0.167	15	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[5,6]N[6])	120.8225	0.336	6	121.0129	0.348	7	120.9139	0.377	8	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){2|H<1>,2|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[5,6]N[6])	122.1550	0.000	1	121.0129	0.348	7	120.9139	0.377	8	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]N[6])	120.2210	0.000	1	120.2210	0.000	1	120.9139	0.377	8	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]C)(O){1|O<1>,3|C<4>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]N[6])	121.2650	0.000	1	121.2650	0.000	1	121.5124	0.823	37	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,2|O<1>,3|C<4>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>}	O(C[6]C[5,6]N[6])	120.9810	0.163	2	120.9810	0.026	2	121.5124	0.823	37	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(CCHH)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]C)(O){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(CCHH){1|Fe<10>,2|C<4>,3|C<3>}	O(C[6]C[5,6]N[6])	121.1210	0.000	1	121.1210	0.000	1	121.5124	0.823	37	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(O){1|O<1>,3|C<4>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH){1|S<4>,2|C<4>,2|H<1>}	O(C[6]C[5,6]N[6])	118.6860	0.000	1	118.6860	0.000	1	121.5124	0.823	37	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|O<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>}	O(C[6]C[5,6]N[6])	121.9977	0.434	4	121.2151	0.362	14	121.5124	0.823	37	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|S<1>,2|N<3>,2|O<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>}	O(C[6]C[5,6]N[6])	120.7655	0.046	2	121.2151	0.362	14	121.5124	0.823	37	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|N<3>,2|O<1>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	O(C[6]C[5,6]N[6])	120.6960	0.352	2	121.2151	0.362	14	121.5124	0.823	37	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>}	O(C[6]C[5,6]N[6])	121.2750	0.049	2	121.2151	0.362	14	121.5124	0.823	37	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	O(C[6]C[5,6]N[6])	120.7800	0.141	2	121.2151	0.362	14	121.5124	0.823	37	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	O(C[6]C[5,6]N[6])	120.9935	0.337	2	121.2151	0.362	14	121.5124	0.823	37	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CCCH)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CCCH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[5,6]N[6])	121.0110	0.000	1	121.0110	0.000	1	121.5124	0.823	37	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(O){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|N<2>,2|C<4>}	O(C[6]C[5,6]N[6])	121.5650	0.141	2	121.5650	0.020	2	121.5124	0.823	37	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	O(C[6]C[5,6]N[6])	122.0500	0.505	2	122.1905	0.153	4	121.5124	0.823	37	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O){1|N<3>,2|O<1>,3|C<3>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	O(C[6]C[5,6]N[6])	122.3310	0.352	2	122.1905	0.153	4	121.5124	0.823	37	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5]N[5]N[6])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]N[5]N[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,2|N<3>,2|O<1>}	N[6](C[6]C[5,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,2|N<3>}	O(C[6]C[5,6]N[6])	123.7400	0.000	1	123.7400	0.000	1	121.5124	0.823	37	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[6,6a]C[5]O[5])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[5,6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[6,6a]C[5]O[5])(N[6]C[6]C)(O){1|C<4>,1|N<2>,1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[5,6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	O(C[6]C[5,6]N[6])	121.6469	0.656	7	121.6469	0.431	7	121.5124	0.823	37	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	O(C[6]C[5,6]N[6])	122.1560	0.346	2	122.1560	0.120	2	121.5124	0.823	37	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6]C)(O){1|H<1>,6|C<3>}	N[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	O(C[6]C[5,6]N[6])	123.4320	0.000	1	123.4320	0.000	1	121.5124	0.823	37	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]2Cl)(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]2Cl)(N[6]C[6,6a]C)(O){2|C<3>,2|C<4>,3|O<2>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[6,6]N[6])	123.7150	0.000	1	123.7150	0.000	1	121.7361	0.910	9	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CC[6a]HH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){1|Si<4>,1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[6,6]N[6])	120.5360	0.000	1	120.5360	0.000	1	121.7361	0.910	9	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[6,6]N[6])	121.5470	0.281	2	121.6249	0.306	7	121.7361	0.910	9	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6,6]N[6])	122.1540	0.000	1	121.6249	0.306	7	121.7361	0.910	9	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]C)(O){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[6,6]N[6])	121.5315	0.690	4	121.6249	0.306	7	121.7361	0.910	9	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CCHH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|N<3>,2|O<1>,3|H<1>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CCHH){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6,6]N[6])	120.0930	0.000	1	120.0930	0.000	1	120.4205	0.971	43	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O){1|O<1>,3|C<4>,3|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH){2|H<1>,3|C<4>}	O(C[6]C[6,6]N[6])	119.4462	0.389	5	119.4462	0.151	5	120.4205	0.971	43	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	O(C[6]C[6,6]N[6])	121.1690	0.000	1	121.1690	0.000	1	120.4205	0.971	43	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)2(CCHH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O){1|O<1>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)2(CCHH){5|C<4>}	O(C[6]C[6,6]N[6])	119.5297	0.360	6	119.5297	0.129	6	120.4205	0.971	43	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|O<1>,3|C<4>,3|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CC[6a]HH){1|S<4>,2|C<4>,2|H<1>}	O(C[6]C[6,6]N[6])	119.7220	0.000	1	119.7220	0.000	1	120.4205	0.971	43	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]N[6,6]S)(CC[6a]HH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|C<4>,1|N<3>,1|S<1>,4|H<1>}	N[6](C[6]C[6,6]O)(C[6]N[6,6]S)(CC[6a]HH){1|H<1>,3|C<4>}	O(C[6]C[6,6]N[6])	119.8860	0.000	1	119.8860	0.000	1	120.4205	0.971	43	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)2(CCHH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	N[6](C[6]C[6,6]O)2(CCHH){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6]N[6])	120.6268	0.349	4	120.6268	0.122	4	120.4205	0.971	43	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]N[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]N[6]O)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	O(C[6]C[6,6]N[6])	121.0360	0.000	1	121.0360	0.000	1	120.4205	0.971	43	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6]2O[6])(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]C)(CC[6a]HH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6]2O[6])(N[6]C[6]C)(O){2|H<1>,4|C<3>}	N[6](C[6]C[6,6]O)(C[6]C[6]C)(CC[6a]HH){1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6]N[6])	123.3870	0.608	2	123.3870	0.370	2	120.4205	0.971	43	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|H<1>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	O(C[6]C[6,6]N[6])	120.6345	0.596	6	120.5945	0.454	21	120.4205	0.971	43	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>,2|N<3>,2|O<1>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){2|C<3>,2|C<4>}	O(C[6]C[6,6]N[6])	121.1620	0.000	1	120.5945	0.454	21	120.4205	0.971	43	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	O(C[6]C[6,6]N[6])	120.7860	0.679	2	120.5945	0.454	21	120.4205	0.971	43	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	O(C[6]C[6,6]N[6])	120.1495	0.461	4	120.5945	0.454	21	120.4205	0.971	43	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	O(C[6]C[6,6]N[6])	120.7010	0.375	2	120.5945	0.454	21	120.4205	0.971	43	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){2|H<1>,2|N<3>,2|O<1>,3|C<3>}	N[6](C[6]C[6,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	O(C[6]C[6,6]N[6])	120.6572	0.982	6	120.5945	0.454	21	120.4205	0.971	43	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]CO)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O){1|O<2>,3|C<3>,5|C<4>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]CO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	O(C[6]C[6,6]N[6])	122.2030	0.000	1	122.2030	0.000	1	123.2101	1.261	8	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HO)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6a]C[6])(O){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	O(C[6]C[6,6]N[6])	122.2513	0.685	3	122.2513	0.469	3	123.2101	1.261	8	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(O){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6]N[6])	124.1810	0.338	4	124.1810	0.114	4	123.2101	1.261	8	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5,6]CH)(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[5,6]CH)(N[6]C[6,6a]C)(O){1|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	121.7150	0.000	1	121.7150	0.000	1	121.5422	0.116	4	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]CC)(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]CC)(N[6]C[6,6a]C)(O){1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[6]N[6])	121.2600	0.064	2	121.2600	0.004	2	121.5422	0.116	4	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6,6a]C)(O)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6,6a]C)(O){1|N<2>,4|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	O(C[6]C[6]N[6])	121.9340	0.000	1	121.9340	0.000	1	121.5422	0.116	4	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(O){1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[6]N[6])	120.6950	0.649	3	120.6950	0.421	3	121.0167	0.380	7	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]N[6])	121.0660	0.362	2	121.0087	0.075	3	121.0167	0.380	7	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O){1|H<1>,1|O<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]N[6])	120.8940	0.000	1	121.0087	0.075	3	121.0167	0.380	7	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6a]C[6]N)(N[6]C[6,6a]S)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]N)(N[6]C[6,6a]S)(O){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[6]N[6])	122.0060	0.000	1	122.0060	0.000	1	121.0167	0.380	7	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	120.2050	0.000	1	120.2050	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O){1|O<1>,3|C<4>}	N[6](C[6]C[6]O)2(CCHH){1|C<4>,4|H<1>}	O(C[6]C[6]N[6])	119.9712	0.407	4	119.9712	0.166	4	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5,6]HS)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[5,6]HS)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]O)(CC[6a]HH){1|S<4>,2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	120.2850	0.000	1	120.2850	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[5]C[6]H)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]N[6])	121.4880	0.229	2	121.4880	0.052	2	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CCHH){2|H<1>,3|C<4>}	O(C[6]C[6]N[6])	119.6420	0.534	5	119.6420	0.285	5	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6]HS)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6]HS)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6,6]O)(C[6]C[6]O)(CC[6a]HH){1|S<4>,2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	120.6350	0.000	1	120.6350	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){2|C<3>,2|C<4>}	O(C[6]C[6]N[6])	119.4797	0.708	4	119.4797	0.501	4	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>}	O(C[6]C[6]N[6])	119.9403	0.501	6	119.9403	0.251	6	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]CN)(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]CN)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>}	O(C[6]C[6]N[6])	121.0650	0.567	2	121.0650	0.322	2	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]CO)(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]CO)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	O(C[6]C[6]N[6])	121.2330	0.000	1	120.9460	0.084	3	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]CO)(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]CO)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	O(C[6]C[6]N[6])	120.8025	0.209	2	120.9460	0.084	3	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]N)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(O){1|N<2>,2|C<3>}	N[6](C[6]C[6,6a]N)(C[6]C[6]O)(CH3){2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	121.5340	0.000	1	121.5340	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]HH){2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	119.4467	0.208	3	119.4467	0.043	3	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]2C)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]2C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]N[6])	120.3360	0.000	1	120.3360	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]N[6])	121.5745	0.320	2	121.5745	0.103	2	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]2O)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]2O)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	O(C[6]C[6]N[6])	120.9965	0.483	2	120.9965	0.233	2	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|C<3>,3|C<4>}	O(C[6]C[6]N[6])	122.0380	0.266	2	122.0380	0.071	2	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){4|C<4>}	O(C[6]C[6]N[6])	120.7950	0.000	1	120.2338	0.855	4	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]N[6])	118.8520	0.000	1	120.2338	0.855	4	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	O(C[6]C[6]N[6])	120.6440	0.058	2	120.2338	0.855	4	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|N<2>,1|O<1>,1|S<2>}	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3){1|C<3>,2|C<4>}	O(C[6]C[6]N[6])	121.3170	0.892	2	121.3170	0.796	2	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CC3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CC3){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]N[6])	122.8990	0.194	2	122.8990	0.038	2	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|H<1>,3|C<4>}	O(C[6]C[6]N[6])	121.0312	0.600	5	121.2054	0.462	13	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[6]N[6])	121.3143	0.743	8	121.2054	0.462	13	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]O)2(CC[6a]HH){2|C<4>,3|H<1>}	O(C[6]C[6]N[6])	120.2192	0.200	6	120.2192	0.040	6	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CN)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CN)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|N<3>,2|C<4>}	O(C[6]C[6]N[6])	121.2882	0.592	6	122.0118	0.827	12	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CN)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CN)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|N<4>,2|C<4>}	O(C[6]C[6]N[6])	123.0520	0.530	2	122.0118	0.827	12	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CN)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CN)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	O(C[6]C[6]N[6])	122.5770	0.399	4	122.0118	0.827	12	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CN)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]O[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CN)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]C[6]O)(C[6]O[6]O)(CCHH){1|N<3>,2|C<4>}	O(C[6]C[6]N[6])	120.7440	0.000	1	120.7440	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CO)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CO)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|O<2>,3|C<4>}	O(C[6]C[6]N[6])	122.5407	0.295	3	122.3372	0.224	4	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CO)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CO)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|O<2>,3|C<4>}	O(C[6]C[6]N[6])	121.7270	0.000	1	122.3372	0.224	4	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CO)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CO)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	N[6](C[6]C[6]O)2(CH3){1|C<4>,1|O<2>,2|C<3>}	O(C[6]C[6]N[6])	120.4760	0.000	1	120.4760	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CS)(N[6]C[6]C)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CS)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	O(C[6]C[6]N[6])	121.1170	0.000	1	121.1170	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CS)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CS)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|S<4>,2|C<4>}	O(C[6]C[6]N[6])	123.3705	0.182	2	123.3705	0.033	2	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]FH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]FH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|F<1>,1|H<1>,2|C<4>}	O(C[6]C[6]N[6])	123.3020	0.000	1	122.8590	0.517	4	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]FH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]FH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|F<1>,1|H<1>,2|C<4>}	O(C[6]C[6]N[6])	122.3055	0.549	2	122.8590	0.517	4	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]FH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]FH)(N[6]C[6]C)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|F<1>,1|H<1>,2|C<4>}	O(C[6]C[6]N[6])	123.5230	0.000	1	122.8590	0.517	4	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]N)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6]N)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]N[6])	120.3680	0.000	1	120.3680	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	120.8670	0.000	1	120.8982	0.722	12	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	120.9643	0.342	3	120.8982	0.722	12	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]N[6])	120.8773	1.048	8	120.8982	0.722	12	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|N<3>,1|S<1>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH){1|C<4>,3|H<1>}	O(C[6]C[6]N[6])	120.6210	0.000	1	120.6210	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|N<3>,1|S<1>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(CC[6a]HH){1|C<4>,3|H<1>}	O(C[6]C[6]N[6])	120.3130	0.610	2	120.3130	0.372	2	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]S[6]O)(CCCH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,1|S<2>}	N[6](C[6]C[6]O)(C[6]S[6]O)(CCCH){1|C<4>,2|H<1>}	O(C[6]C[6]N[6])	120.6560	0.000	1	120.6560	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]O)2(CCHH){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]N[6])	119.7630	0.000	1	119.7630	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]O)2(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]N[6])	120.5780	0.000	1	120.1024	0.087	7	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]O)2(CC[6a]HH){2|C<4>,3|H<1>}	O(C[6]C[6]N[6])	120.0232	0.228	6	120.1024	0.087	7	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CSiHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]O)2(CSiHH){1|C<4>,4|H<1>}	O(C[6]C[6]N[6])	119.0415	1.160	6	119.0415	1.345	6	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HO)(N[6]C[6]C)(O)	N[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HO)(N[6]C[6]C)(O){2|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[6]N[6])	121.8300	0.000	1	121.8300	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HS)(N[6]C[6]C)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HS)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	O(C[6]C[6]N[6])	122.1670	0.000	1	122.1670	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N[5]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]N[5]H)(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6]O)2(CCHH){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]N[6])	121.7400	0.000	1	121.7400	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]PdH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]PdH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]N[6])	119.2645	0.112	2	119.2645	0.013	2	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]PtH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]PtH)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]N[6])	119.9880	0.636	2	119.9880	0.405	2	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]N[6])	120.2230	0.000	1	120.4095	0.070	2	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]N[6])	120.5960	0.000	1	120.4095	0.070	2	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]N[6])	120.6170	0.000	1	120.2535	0.264	2	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|S<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]N[6])	119.8900	0.000	1	120.2535	0.264	2	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(O){1|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]N[6])	122.2020	0.000	1	122.2020	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6a]C[6]N)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]N)(N[6]C[6]C)(O){1|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[6]N[6])	121.6690	0.000	1	121.6690	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6a]O[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]O[6]C)(N[6]C[6]C)(O){1|C<4>,3|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]N[6])	122.8260	0.042	2	122.8260	0.002	2	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(O){1|C<4>,3|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	O(C[6]C[6]N[6])	122.2700	0.000	1	122.2700	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[5,6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]N[5,6]CH)(N[6]C[6]C)(O){1|C<4>,2|C<3>}	N[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]N[6])	121.6270	0.000	1	121.6270	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6,6a]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]N[6,6a]CH)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	O(C[6]C[6]N[6])	121.2300	0.000	1	121.2300	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CC)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CC)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]O)2(CCHH){1|N<3>,1|O<1>,2|C<4>}	O(C[6]C[6]N[6])	120.5930	0.000	1	120.5930	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<4>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	122.6860	0.000	1	122.6860	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<4>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	122.0820	0.000	1	122.0820	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]H)(C[6]C[6]O)(CCCH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CCCH){1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]N[6])	122.1450	0.000	1	122.1450	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]N[6])	123.3710	0.000	1	123.3710	0.000	1	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]O)2(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	121.6512	0.502	5	121.6512	0.252	5	120.9380	1.411	151	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[5,6]CH)(N[6]C[6]S)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](C[6]C[5,6]CH)(N[6]C[6]S)(O){4|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	120.0010	0.000	1	120.0010	0.000	1	121.0861	0.655	13	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(O)	N[6](C[6]N[5,6]O)(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]N[5,6]O)(C[6]C[6]O)(SC[6a]OO){2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	121.1500	0.000	1	121.1500	0.000	1	121.0861	0.655	13	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	121.9910	0.000	1	121.9910	0.000	1	121.0861	0.655	13	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]CH)(N[6]C[6]S)(O)	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CH)(N[6]C[6]S)(O){2|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO){2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	121.8880	0.000	1	121.8880	0.000	1	121.0861	0.655	13	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]S)(O)	N[6](C[6]C[6]C)(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]S)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(SC[6a]OO){1|C<4>,3|H<1>}	O(C[6]C[6]N[6])	120.8660	0.000	1	120.8660	0.000	1	121.0861	0.655	13	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]S)(O)	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]S)(O){2|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO){2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	121.7793	0.618	3	121.7793	0.382	3	121.0861	0.655	13	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]S)(O)	N[6](C[6]C[6a]N[6])(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]S)(O){1|C<3>,1|N<2>,2|H<1>}	N[6](C[6]C[6a]N[6])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	120.7810	0.042	2	120.7810	0.002	2	121.0861	0.655	13	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O){1|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]N[6])	120.4410	0.874	3	120.4410	0.764	3	121.0861	0.655	13	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HN)(N[6]N[6]C)(O)	N[6](C[6]C[6]O)(N[6]C[6]H)(CCCH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HN)(N[6]N[6]C)(O){1|C<3>,3|H<1>}	N[6](C[6]C[6]O)(N[6]C[6]H)(CCCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	122.1580	0.000	1	122.1580	0.000	1	122.4495	0.170	2	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]N[6]C)(O)	N[6](C[6]C[6]O)(N[6]C[6]C)(CCHO)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]N[6]C)(O){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(N[6]C[6]C)(CCHO){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	122.7410	0.000	1	122.7410	0.000	1	122.4495	0.170	2	121.1851	1.303	344	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:1:	3:	C[3,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]N)(N[6]C[6]H)(O)	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(H)	O(C[6]C[3,6]N[6])	C[6](C[3,6]C[3,6]C[3]N)(N[6]C[6]H)(O){2|C<4>,4|H<1>}	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[3,6]N[6])	122.6105	0.040	2	122.6105	0.002	2	122.6105	0.002	2	122.5573	1.588	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:1:	3:	C[4,5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(N[6]C[6]H)(O)	N[6](C[6]C[4,5,6]O)(C[6]C[6]HH)(H)	O(C[6]C[4,5,6]N[6])	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(N[6]C[6]H)(O){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	N[6](C[6]C[4,5,6]O)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	O(C[6]C[4,5,6]N[6])	122.6210	0.000	1	122.6210	0.000	1	122.6210	0.000	1	122.5573	1.588	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:1:	3:	C[4,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]N[6])(N[6]C[6]H)(O)	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(H)	O(C[6]C[4,6]N[6])	C[6](C[4,6]C[4,6]C[4]N[6])(N[6]C[6]H)(O){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<4>}	O(C[6]C[4,6]N[6])	122.9090	0.000	1	122.9090	0.000	1	122.9090	0.000	1	122.5573	1.588	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[5,6]N[6])	121.7430	0.000	1	121.7430	0.000	1	123.1701	0.828	18	122.5573	1.588	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O){1|O<2>,2|H<1>,3|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[5,6]N[6])	122.4080	0.682	2	122.4080	0.465	2	123.1701	0.828	18	122.5573	1.588	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O){1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[5,6]N[6])	122.4990	0.000	1	122.4990	0.000	1	123.1701	0.828	18	122.5573	1.588	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[5,6]C[5]2N[6])(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2N[6])(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<4>}	O(C[6]C[5,6]N[6])	122.1240	0.000	1	122.4698	0.078	4	123.1701	0.828	18	122.5573	1.588	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[5,6]C[5]2N[6])(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2N[6])(N[6]C[6]H)(O){1|C<4>,3|C<3>,6|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<4>}	O(C[6]C[5,6]N[6])	122.5850	0.195	3	122.4698	0.078	4	123.1701	0.828	18	122.5573	1.588	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[5,6]C[5]N[6]S[5])(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]N[6]S[5])(N[6]C[6]H)(O){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	O(C[6]C[5,6]N[6])	123.7900	0.000	1	123.7900	0.000	1	123.1701	0.828	18	122.5573	1.588	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[5,6]N[6])	123.7593	0.677	6	123.7593	0.459	6	123.1701	0.828	18	122.5573	1.588	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CO)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]CO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[5,6]N[6])	123.3930	0.000	1	123.3930	0.000	1	123.1701	0.828	18	122.5573	1.588	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[5,6]N[6])	123.5340	0.000	1	123.5340	0.000	1	123.1701	0.828	18	122.5573	1.588	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]N[5]C)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]N[5]C)(N[6]C[6]H)(O){1|H<1>,2|C<3>,3|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|N<3>}	O(C[6]C[5,6]N[6])	124.8510	0.000	1	124.8510	0.000	1	123.1701	0.828	18	122.5573	1.588	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(O){4|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	O(C[6]C[6,6]N[6])	120.4880	0.000	1	120.4880	0.000	1	121.8354	1.964	16	122.5573	1.588	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|C<3>,3|C<4>,7|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	O(C[6]C[6,6]N[6])	119.4205	0.479	2	120.0955	1.651	4	121.8354	1.964	16	122.5573	1.588	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]N[6])	121.9750	0.000	1	120.0955	1.651	4	121.8354	1.964	16	122.5573	1.588	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6]3)(N[6]C[6]H)(O){4|C<4>,7|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	O(C[6]C[6,6]N[6])	119.5660	0.000	1	120.0955	1.651	4	121.8354	1.964	16	122.5573	1.588	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6,6]N[6])	122.5905	0.656	11	122.5905	0.430	11	121.8354	1.964	16	122.5573	1.588	38	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:2:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C-4:N[6]-2:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]N[6]C)(O)	N[6](C[6]C[6]O)(CC[6a]HH)(N[6]C[6])	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]N[6]C)(O){1|C<3>,2|H<1>}	N[6](C[6]C[6]O)(CC[6a]HH)(N[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]N[6])	121.6040	0.000	1	121.6040	0.000	1	121.6040	0.000	1	121.6040	0.000	1	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6]2)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]2H)(C[6]C[6]C)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6]2)(O){1|H<1>,2|C<4>,7|C<3>}	N[6](C[6]C[5,6]O)(C[6]C[6]2H)(C[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5,6]N[6])	123.4230	0.000	1	123.4230	0.000	1	123.4230	0.000	1	122.0120	1.749	3	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:3:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]O)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|O<2>,3|H<1>,4|C<4>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]O){2|C<4>,3|H<1>}	O(C[6]C[6,6]N[6])	120.8010	0.000	1	120.8010	0.000	1	120.8010	0.000	1	122.0120	1.749	3	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:3:	3:	C[6]-4:N[6]-3:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]C[6]C)(N[6]C[6a]C[6])(O)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]C)(N[6]C[6a]C[6])(O){4|H<1>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|H<1>,5|C<3>}	O(C[6]C[6]N[6])	121.8120	0.000	1	121.8120	0.000	1	121.8120	0.000	1	122.0120	1.749	3	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[3,6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[3,6,6]C[3,6]N[6,6]O[3])(N[6]C[6]C)(O)	N[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CC[6a]HH)	O(C[6]C[3,6,6]N[6])	C[6](C[3,6,6]C[3,6]N[6,6]O[3])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	O(C[6]C[3,6,6]N[6])	124.5083	0.017	3	124.5083	0.000	3	124.5083	0.000	3	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[3,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]C)(O)	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH)	O(C[6]C[3,6]N[6])	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[3,6]N[6])	124.7250	0.000	1	124.7250	0.000	1	123.7400	0.416	5	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[3,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(O)	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH)	O(C[6]C[3,6]N[6])	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	O(C[6]C[3,6]N[6])	123.6220	0.314	2	123.6220	0.099	2	123.7400	0.416	5	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[3,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[3,6]C[3]2N[6])(N[6]C[6]C)(O)	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CC[6a]HH)	O(C[6]C[3,6]N[6])	C[6](C[3,6]C[3]2N[6])(N[6]C[6]C)(O){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>}	O(C[6]C[3,6]N[6])	122.9860	0.000	1	122.9860	0.000	1	123.7400	0.416	5	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[3,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[3,6]C[3]O[3]O[6])(N[6]C[6]C)(O)	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3)	O(C[6]C[3,6]N[6])	C[6](C[3,6]C[3]O[3]O[6])(N[6]C[6]C)(O){2|H<1>,3|C<4>}	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	O(C[6]C[3,6]N[6])	123.7450	0.000	1	123.7450	0.000	1	123.7400	0.416	5	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[3,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:S-4:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(O)	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(SC[6a]OO)	O(C[6]C[3,6]N[6])	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(O){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<4>}	O(C[6]C[3,6]N[6])	120.7050	0.000	1	120.7050	0.000	1	120.7050	0.000	1	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[4,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]C)(O)	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(CCHH)	O(C[6]C[4,6]N[6])	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]C)(O){1|C<3>,1|N<4>,2|C<4>,3|H<1>}	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(CCHH){1|Cl<1>,2|C<4>,2|H<1>}	O(C[6]C[4,6]N[6])	122.4190	0.000	1	122.4190	0.000	1	122.4190	0.000	1	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[5,6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6]C)(O)	N[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(CC[6a]HH)	O(C[6]C[5,6,6]N[6])	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6]C)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5,6,6]N[6])	121.7710	0.000	1	121.7710	0.000	1	123.1295	3.691	2	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[5,6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5,6,6]C[5,6]N[6,6]N[5])(N[6]C[6]C)(O)	N[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CC[6a]HH)	O(C[6]C[5,6,6]N[6])	C[6](C[5,6,6]C[5,6]N[6,6]N[5])(N[6]C[6]C)(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|O<1>,2|N<3>}	O(C[6]C[5,6,6]N[6])	124.4880	0.000	1	124.4880	0.000	1	123.1295	3.691	2	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5,6]C[4,5]C[5]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[4,5]C[5]C[6])(N[6]C[6]C)(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[5,6]N[6])	123.2790	0.000	1	123.2790	0.000	1	123.0390	0.487	31	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[5,6]N[6])	123.0800	0.000	1	123.0800	0.000	1	123.0390	0.487	31	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[6a]C[5])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,5,6]C[6a]C[5])(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[5,6]N[6])	123.1100	0.000	1	123.1100	0.000	1	123.0390	0.487	31	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5,6]C[5,5]N[5,6]C)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,5]N[5,6]C)(N[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<1>,2|C<4>}	O(C[6]C[5,6]N[6])	123.4750	0.000	1	123.4750	0.000	1	123.0390	0.487	31	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCHH)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCHH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O(C[6]C[5,6]N[6])	121.9680	0.000	1	121.9680	0.000	1	123.0390	0.487	31	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[5,6]N[6])	122.7610	0.000	1	122.7610	0.000	1	123.0390	0.487	31	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<4>}	O(C[6]C[5,6]N[6])	121.7170	0.000	1	121.7170	0.000	1	123.0390	0.487	31	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]N[6])	121.9260	0.000	1	122.2345	0.089	4	123.0390	0.487	31	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[5,6]N[6])	122.3373	0.266	3	122.2345	0.089	4	123.0390	0.487	31	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|N<3>,1|O<1>,2|C<4>}	O(C[6]C[5,6]N[6])	122.7960	0.000	1	122.7960	0.000	1	123.0390	0.487	31	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(CC[6a]HH)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]C)(O){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>}	O(C[6]C[5,6]N[6])	122.4100	0.000	1	122.4100	0.000	1	123.0390	0.487	31	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCCH)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[5,6]N[6])	122.5020	0.233	2	122.5020	0.054	2	123.0390	0.487	31	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[5,6]N[6])	123.3572	0.233	4	123.1239	0.092	9	123.0390	0.487	31	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[5,6]N[6])	122.8948	0.217	4	123.1239	0.092	9	123.0390	0.487	31	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[5,6]N[6])	123.1070	0.000	1	123.1239	0.092	9	123.0390	0.487	31	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){3|C<3>,4|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[5,6]N[6])	124.2385	0.168	2	124.2385	0.028	2	123.0390	0.487	31	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]O)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]O)(N[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	O(C[6]C[5,6]N[6])	124.2060	0.000	1	124.2060	0.000	1	123.0390	0.487	31	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	O(C[6]C[5,6]N[6])	124.2210	0.000	1	124.2210	0.000	1	123.0390	0.487	31	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HS)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HS)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	O(C[6]C[5,6]N[6])	123.2400	0.000	1	123.2400	0.000	1	123.0390	0.487	31	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5,6]N[5,6]S[5]H)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]S[5]H)(N[6]C[6]C)(O){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	O(C[6]C[5,6]N[6])	123.7065	0.194	2	123.7065	0.038	2	123.0390	0.487	31	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:S-4:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(SC[6a]OO)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(O){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]N[6])	120.6660	0.000	1	120.6660	0.000	1	121.2305	0.637	2	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:S-4:	C[6]-3:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(SC[6a]OO)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6]N[6])	121.7950	0.000	1	121.7950	0.000	1	121.2305	0.637	2	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[5]-4:C[6]-4:	C[6]-3:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[5]C[6])(O)	N[6](C[6]C[6,6]O)(C[5]C[5]2H)(C[6]C[6]HH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[5]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	N[6](C[6]C[6,6]O)(C[5]C[5]2H)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	O(C[6]C[6,6]N[6])	124.7200	0.000	1	124.7200	0.000	1	124.7200	0.000	1	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,3|H<1>}	O(C[6]C[6,6]N[6])	121.0820	0.000	1	121.0820	0.000	1	122.5432	1.642	33	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HO)(CC[6a]HH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HO)(CC[6a]HH){1|C<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6]N[6])	122.4580	0.000	1	122.4580	0.000	1	122.5432	1.642	33	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){4|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH){2|C<4>,3|H<1>}	O(C[6]C[6,6]N[6])	121.7350	0.000	1	121.7350	0.000	1	122.5432	1.642	33	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,3|H<1>}	O(C[6]C[6,6]N[6])	121.6215	0.722	2	121.5307	0.285	3	122.5432	1.642	33	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){2|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,3|H<1>}	O(C[6]C[6,6]N[6])	121.3490	0.000	1	121.5307	0.285	3	122.5432	1.642	33	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(O){2|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]N[6])	120.0170	0.000	1	120.0170	0.000	1	122.5432	1.642	33	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6]C[6]2N[6])(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6]2N[6])(N[6]C[6]C)(O){2|C<3>,2|C<4>,6|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>}	O(C[6]C[6,6]N[6])	122.2990	0.191	2	122.2990	0.036	2	122.5432	1.642	33	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6]C[6]2N[6])(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6]2N[6])(N[6]C[6]C)(O){2|C<3>,2|C<4>,6|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]N[6])	122.4520	0.000	1	122.4520	0.000	1	122.5432	1.642	33	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6,6]N[6])	121.3230	0.000	1	120.3303	1.052	3	122.5432	1.642	33	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6]3)(N[6]C[6]C)(O){4|C<4>,7|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){2|H<1>,3|C<4>}	O(C[6]C[6,6]N[6])	119.8340	0.791	2	120.3303	1.052	3	122.5432	1.642	33	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCCH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6,6]N[6])	123.1280	0.000	1	123.1280	0.000	1	122.5432	1.642	33	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	O(C[6]C[6,6]N[6])	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6,6]N[6])	123.0060	0.440	4	122.8577	0.090	10	122.5432	1.642	33	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	O(C[6]C[6,6]N[6])	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6,6]N[6])	122.7588	0.127	6	122.8577	0.090	10	122.5432	1.642	33	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)	O(C[6]C[6,6]N[6])	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]C)(O){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6,6]N[6])	123.1893	0.466	3	123.1893	0.217	3	122.5432	1.642	33	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6]N[6,6]C[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]N[6,6]C[6]O)(N[6]C[6]C)(O){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	O(C[6]C[6,6]N[6])	124.9080	0.000	1	124.3905	0.536	2	122.5432	1.642	33	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6]N[6,6]C[6]O)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]N[6,6]C[6]O)(N[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	O(C[6]C[6,6]N[6])	123.8730	0.000	1	124.3905	0.536	2	122.5432	1.642	33	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6]N[6,6]C[6]S)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	O(C[6]C[6,6]N[6])	C[6](C[6,6]N[6,6]C[6]S)(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	O(C[6]C[6,6]N[6])	124.6980	0.000	1	124.6980	0.000	1	122.5432	1.642	33	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6]N[6,6]S[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	O(C[6]C[6,6]N[6])	C[6](C[6,6]N[6,6]S[6]H)(N[6]C[6]C)(O){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	O(C[6]C[6,6]N[6])	123.7497	1.130	3	123.7497	1.277	3	122.5432	1.642	33	122.8725	1.323	79	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5]2N[6])(N[6]C[5,6]H)(O)	N[6](C[5,6]C[5]2C[6])(C[6]C[5,6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]2N[6])(N[6]C[5,6]H)(O){2|C<4>,3|C<3>,5|H<1>}	N[6](C[5,6]C[5]2C[6])(C[6]C[5,6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5,6]N[6])	122.5245	0.735	4	122.5245	0.540	4	122.5245	0.540	4	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[5,6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6,6]H)(O){1|N<3>,3|H<1>,4|C<4>}	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[5,6]O)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6]N[6])	122.1477	0.473	12	122.1477	0.223	12	122.1477	0.223	12	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]H)(O){1|C<4>,2|O<2>,5|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[5,6]N[6])	122.3410	0.000	1	122.3410	0.000	1	122.3410	0.000	1	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]O)(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(O){1|N<3>,3|H<1>,4|C<4>}	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]O)(H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6]N[6])	121.6110	0.303	2	121.6110	0.092	2	121.6110	0.092	2	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]H)(O){2|H<1>,3|C<3>,3|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]N[6])	121.8190	0.000	1	121.8190	0.000	1	121.8705	0.017	4	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(O){2|C<4>,6|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H){5|C<4>}	O(C[6]C[6,6]N[6])	121.9210	0.000	1	121.9210	0.000	1	121.8705	0.017	4	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6,6]N[6])	122.0220	0.000	1	122.0220	0.000	1	121.8705	0.017	4	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6,6]N[6])	121.7200	0.000	1	121.7200	0.000	1	121.8705	0.017	4	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6]C[6a]2)(N[6]C[5,6,6]H)(O)	N[6](C[5,6,6]N[5,6,6]C[5,6]C[6])(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6]C[6a]2)(N[6]C[5,6,6]H)(O){1|C<4>,1|N<3>,6|C<3>}	N[6](C[5,6,6]N[5,6,6]C[5,6]C[6])(C[6]C[6]O)(H){1|C<4>,2|H<1>,6|C<3>}	O(C[6]C[6]N[6])	122.9690	0.000	1	122.9690	0.000	1	122.9690	0.000	1	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6a]CH)(N[6]C[5,6]H)(O)	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]CH)(N[6]C[5,6]H)(O){2|C<3>,2|C<4>}	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6])	121.0560	0.088	2	121.0560	0.008	2	121.0560	0.008	2	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5a]N[6]H)(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[5a]N[6]H)(N[6]C[6,6]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O(C[6]C[6]N[6])	121.4930	0.000	1	121.4930	0.000	1	121.4136	0.597	27	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6]CH)(N[6]C[6,6]H)(O)	N[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6]CH)(N[6]C[6,6]H)(O){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6]N[6])	120.9871	0.369	16	120.9871	0.136	16	121.4136	0.597	27	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6]Cl2)(N[6]C[6,6]H)(O)	N[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6]Cl2)(N[6]C[6,6]H)(O){2|H<1>,3|C<4>}	N[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]O)(H){2|Cl<1>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	123.9440	0.000	1	123.9440	0.000	1	121.4136	0.597	27	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(O){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]N[6])	121.4945	0.115	2	121.4945	0.013	2	121.4136	0.597	27	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6]HH)(N[6]C[6,6]H)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6]N[6])	121.0270	0.000	1	121.0270	0.000	1	121.4136	0.597	27	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6]HS)(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6]HS)(N[6]C[6,6]H)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	O(C[6]C[6]N[6])	122.3080	0.000	1	122.3080	0.000	1	121.4136	0.597	27	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[5a,6]CC)(N[6]C[6,6]H)(O)	N[6](C[6,6]C[5a,6]C[6]2)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[5a,6]CC)(N[6]C[6,6]H)(O){1|C<3>,1|N<2>,2|C<4>}	N[6](C[6,6]C[5a,6]C[6]2)(C[6]C[6]O)(H){1|N<2>,1|N<3>,4|C<4>,4|H<1>}	O(C[6]C[6]N[6])	121.9730	0.274	4	121.9730	0.075	4	121.4136	0.597	27	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]H)(O)	N[6](C[6,6]C[5a,6]C[6]2)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]H)(O){1|N<2>,2|C<4>,3|C<3>}	N[6](C[6,6]C[5a,6]C[6]2)(C[6]C[6]O)(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,5|H<1>}	O(C[6]C[6]N[6])	122.7220	0.000	1	122.7220	0.000	1	121.4136	0.597	27	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	120.7960	0.000	1	120.7960	0.000	1	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6,6a]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6]N[6])	122.6690	0.000	1	122.6690	0.000	1	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	122.0780	0.000	1	122.0780	0.000	1	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	122.2815	0.343	2	122.2815	0.118	2	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CF)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CF)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	O(C[6]C[6]N[6])	124.2446	0.370	5	124.2446	0.137	5	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CF)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CF)(N[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[6]N[6])	123.6870	0.000	1	123.6870	0.000	1	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CH)(N[6]C[6]H)(O){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]N[6])	121.8320	0.557	2	121.8320	0.310	2	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]CN)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CN)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	121.5050	0.416	2	121.5050	0.173	2	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]FH)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]FH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6])	122.9740	0.000	1	122.9740	0.000	1	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]N[6])	121.5830	0.000	1	121.7900	0.086	2	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(H){4|C<4>,4|H<1>}	O(C[6]C[6]N[6])	121.9970	0.000	1	121.7900	0.086	2	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<2>,1|N<3>,4|H<1>}	O(C[6]C[6]N[6])	120.7850	0.649	2	120.7850	0.421	2	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	O(C[6]C[6]N[6])	121.0885	0.176	2	121.2278	0.745	11	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,4|H<1>}	O(C[6]C[6]N[6])	122.6700	0.776	2	121.2278	0.745	11	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	O(C[6]C[6]N[6])	120.8556	0.524	7	121.2278	0.745	11	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|F<1>,3|H<1>}	O(C[6]C[6]N[6])	121.6160	0.000	1	120.9183	0.404	18	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]N[6])	120.9420	0.768	2	120.9183	0.404	18	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	O(C[6]C[6]N[6])	120.8686	0.641	15	120.9183	0.404	18	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6])	121.3890	0.000	1	121.4390	0.005	2	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6])	121.4890	0.000	1	121.4390	0.005	2	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]N[6])	121.6680	0.000	1	121.6680	0.000	1	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]HN)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HN)(N[6]C[6]H)(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6]N[6])	122.1690	0.000	1	122.1690	0.000	1	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]N[5]H)(N[6]C[6]H)(O){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]N[6])	122.6530	0.000	1	122.6530	0.000	1	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	122.0580	0.000	1	122.0580	0.000	1	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[5,6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]CC)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[5,6]CC)(N[6]C[6]H)(O){2|C<3>,2|C<4>}	N[6](C[6]C[5,6]CC)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|C<4>}	O(C[6]C[6]N[6])	121.5400	0.000	1	121.5400	0.000	1	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[5,6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[5,6]CH)(N[6]C[6]H)(O){2|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,2|H<1>,2|N<3>}	O(C[6]C[6]N[6])	122.7910	0.000	1	122.7910	0.000	1	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[5a,6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[5a,6]CC)(N[6]C[6]H)(O){1|C<3>,1|N<2>,2|C<4>}	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|C<4>}	O(C[6]C[6]N[6])	122.0108	0.194	4	122.0108	0.038	4	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[5a,6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[5a,6]HH)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|H<1>}	O(C[6]C[6]N[6])	123.0230	0.581	2	123.0230	0.338	2	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[5a]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[5a]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]N[6])	122.5930	0.000	1	122.5930	0.000	1	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>}	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	O(C[6]C[6]N[6])	123.5007	0.637	4	123.5007	0.406	4	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	O(C[6]C[6]N[6])	122.3590	0.000	1	122.3590	0.000	1	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]N[5]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6,6a]CH)(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]N[5]H)(C[6]C[6]O)(H){1|H<1>,1|N<2>,1|N<3>,3|C<4>}	O(C[6]C[6]N[6])	124.3700	0.000	1	124.3700	0.000	1	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]CC)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CC)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CC)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<4>}	O(C[6]C[6]N[6])	122.5750	0.000	1	122.5750	0.000	1	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]CC)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CC)(N[6]C[6]H)(O){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6]N[6])	122.1290	0.000	1	122.1290	0.000	1	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	122.9316	0.613	19	122.9000	0.371	26	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	122.8143	0.636	7	122.9000	0.371	26	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	123.8990	0.000	1	122.5655	3.556	2	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|Mo<12>,1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	121.2320	0.000	1	122.5655	3.556	2	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6]C[6]N[6])	122.4840	0.000	1	122.4840	0.000	1	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]CS)(N[6]C[6]H)(O)	N[6](C[6]C[6]CO)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CS)(N[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>}	N[6](C[6]C[6]CO)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	O(C[6]C[6]N[6])	120.4860	0.000	1	120.4860	0.000	1	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	123.9040	0.000	1	123.9450	0.176	3	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	123.5470	0.000	1	123.9450	0.176	3	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	124.3840	0.000	1	123.9450	0.176	3	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|N<3>,3|H<1>}	O(C[6]C[6]N[6])	121.6440	0.000	1	122.1765	0.270	24	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|C<3>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	122.1912	0.529	22	122.1765	0.270	24	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<4>,4|H<1>}	O(C[6]C[6]N[6])	122.3870	0.000	1	122.1765	0.270	24	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]H)(O){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	122.6760	0.846	2	122.6760	0.715	2	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CC)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<3>,2|C<4>}	N[6](C[6]C[6]CC)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]N[6])	123.7870	0.000	1	123.7870	0.000	1	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]N[6])	123.4670	0.291	4	123.4670	0.085	4	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]O[6]CH)(N[6]C[6]H)(O)	N[6](C[6]P[6]CH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]O[6]CH)(N[6]C[6]H)(O){1|C<4>,1|H<1>,1|P<4>}	N[6](C[6]P[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	O(C[6]C[6]N[6])	123.6240	0.000	1	123.6240	0.000	1	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]O[6]HH)(N[6]C[6]H)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]O[6]HH)(N[6]C[6]H)(O){1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[6]N[6])	124.4830	0.000	1	124.4830	0.000	1	122.2928	1.211	138	122.1391	1.093	191	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:2:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:N-2:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]N)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(NN)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]N)(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(NN){1|C<4>,4|H<1>}	O(C[6]C[6]N[6])	121.5240	0.000	1	121.5240	0.000	1	121.5240	0.000	1	122.4545	1.571	6	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:2:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[3,6]HH)(N[6]C[6]O)(O)	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(OC)	O(C[6]C[6]N[6])	C[6](C[6]C[3,6]HH)(N[6]C[6]O)(O){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(OC){2|H<1>,3|C<4>}	O(C[6]C[6]N[6])	123.3330	0.000	1	123.3330	0.000	1	122.6406	1.704	5	122.4545	1.571	6	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:2:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[5a,6]CC)(N[6]C[6]O)(O)	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(OC)	O(C[6]C[6]N[6])	C[6](C[6]C[5a,6]CC)(N[6]C[6]O)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(OC){1|C<3>,1|N<3>,2|C<4>}	O(C[6]C[6]N[6])	120.6090	0.000	1	120.6090	0.000	1	122.6406	1.704	5	122.4545	1.571	6	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:2:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]O)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]O)(O){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]N[6])	122.8320	0.000	1	122.8320	0.000	1	122.6406	1.704	5	122.4545	1.571	6	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:2:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]O)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	124.0850	0.000	1	124.0850	0.000	1	122.6406	1.704	5	122.4545	1.571	6	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:2:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[6]O[6]CH)(N[6]C[6]O)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	O(C[6]C[6]N[6])	C[6](C[6]O[6]CH)(N[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[6]C[6]N[6])	122.3440	0.000	1	122.3440	0.000	1	122.6406	1.704	5	122.4545	1.571	6	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[5,6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2)	O(C[6]C[5,6,6]N[6])	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6a]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5,6,6]N[6])	123.2590	0.000	1	123.2875	0.002	2	123.2875	0.002	2	122.6641	2.080	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[5,6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6a]C[6])(O)	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2)	O(C[6]C[5,6,6]N[6])	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6a]C[6])(O){3|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5,6,6]N[6])	123.3160	0.000	1	123.2875	0.002	2	123.2875	0.002	2	122.6641	2.080	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|C<4>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]N[6])	124.1790	0.000	1	124.1830	0.322	3	124.1830	0.322	3	122.6641	2.080	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]N[6])	124.7520	0.000	1	124.1830	0.322	3	124.1830	0.322	3	122.6641	2.080	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]N[6])	123.6180	0.000	1	124.1830	0.322	3	124.1830	0.322	3	122.6641	2.080	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|C<4>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]N[6])	123.4250	0.000	1	123.5265	0.021	2	123.5265	0.021	2	122.6641	2.080	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]N[6])	123.6280	0.000	1	123.5265	0.021	2	123.5265	0.021	2	122.6641	2.080	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(C[6a]C[6a]2)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6a]C[6])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	O(C[6]C[6,6]N[6])	120.8010	0.000	1	120.8010	0.000	1	120.8010	0.000	1	122.6641	2.080	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	N[6](C[6]C[6]2H)(C[6]C[6]O)(COO)	O(C[6]C[6]N[6])	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|N<3>,3|C<4>,4|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]O)(COO){4|C<4>,4|H<1>}	O(C[6]C[6]N[6])	124.1220	0.000	1	124.1220	0.000	1	122.8204	2.728	8	122.6641	2.080	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<2>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]N[6])	122.0210	0.000	1	121.5350	0.622	3	122.8204	2.728	8	122.6641	2.080	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,4|H<1>}	O(C[6]C[6]N[6])	121.9590	0.000	1	121.5350	0.622	3	122.8204	2.728	8	122.6641	2.080	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,4|H<1>}	O(C[6]C[6]N[6])	120.6250	0.000	1	121.5350	0.622	3	122.8204	2.728	8	122.6641	2.080	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]HO)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HO)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]N[6])	123.2640	0.000	1	123.2640	0.000	1	122.8204	2.728	8	122.6641	2.080	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(O){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]N[6])	121.0320	0.000	1	121.0320	0.000	1	122.8204	2.728	8	122.6641	2.080	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]O[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCO)	O(C[6]C[6]N[6])	C[6](C[6]O[6]HH)(N[6]C[6]C)(O){1|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCO){1|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6]N[6])	124.7700	0.451	2	124.7700	0.204	2	122.8204	2.728	8	122.6641	2.080	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]2)(O)	N[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(N[6]C[6]2)(O){1|H<1>,2|C<4>,5|C<3>}	N[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	O(C[6]C[6]N[6])	124.5320	0.000	1	124.5320	0.000	1	124.5320	0.000	1	122.6641	2.080	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:N-3:	C[6]-3:	C[6](C[6]C[6]HN)(N[6]C[6]N)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCC)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HN)(N[6]C[6]N)(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCC){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]N[6])	121.2240	0.000	1	121.2240	0.000	1	122.3240	0.436	5	122.6641	2.080	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:N-3:	C[6]-3:	C[6](C[6]N[5a,6]CH)(N[6]C[6]N)(O)	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(NHH)	O(C[6]C[6]N[6])	C[6](C[6]N[5a,6]CH)(N[6]C[6]N)(O){1|C<3>,1|N<2>,2|C<4>}	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(NHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	O(C[6]C[6]N[6])	122.4370	0.000	1	122.4370	0.000	1	122.3240	0.436	5	122.6641	2.080	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:N-3:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]N)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]N)(O){1|C<3>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	122.3130	0.000	1	122.3130	0.000	1	122.3240	0.436	5	122.6641	2.080	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:N-3:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]N)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]N)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	122.9350	0.000	1	122.8230	0.025	2	122.3240	0.436	5	122.6641	2.080	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:N-3:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]N)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]N)(O){1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	122.7110	0.000	1	122.8230	0.025	2	122.3240	0.436	5	122.6641	2.080	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:S-3:	C[6]-3:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO){2|H<1>,4|C<3>}	O(C[6]C[6]N[6])	120.4987	0.813	3	120.4987	0.661	3	120.4987	0.661	3	122.6641	2.080	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(O)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(O){2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,3|H<1>,4|C<3>}	O(C[6]C[6]N[6])	122.3710	0.290	2	122.3710	0.084	2	122.3710	0.084	2	122.6641	2.080	27	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[3,6]-4:N[6]-3:O-1:	C[3,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[3,6]C[3]N[6]O[3])(N[6]C[3,6]C)(O)	N[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]O)(CH3)	O(C[6]C[3,6]N[6])	C[6](C[3,6]C[3]N[6]O[3])(N[6]C[3,6]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	O(C[6]C[3,6]N[6])	124.3603	0.102	3	124.3603	0.010	3	124.3603	0.010	3	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[3,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[5,6]C)(O)	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[3,6]O)(CC[6a]HH)	O(C[6]C[3,6]N[6])	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[5,6]C)(O){2|C<4>,2|H<1>}	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[3,6]O)(CC[6a]HH){2|C<4>,3|H<1>,3|O<2>}	O(C[6]C[3,6]N[6])	123.3880	0.000	1	123.3880	0.000	1	123.3880	0.000	1	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[5,5,6,6]-4:N[6]-3:O-1:	C[5,5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,5,6,6]C[3x5,6,6]C[5,5,6]C[5])(N[6]C[5,5,6]C)(O)	N[6](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6]C[5,5,6,6]O)(CCHH)	O(C[6]C[5,5,6,6]N[6])	C[6](C[5,5,6,6]C[3x5,6,6]C[5,5,6]C[5])(N[6]C[5,5,6]C)(O){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	N[6](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6]C[5,5,6,6]O)(CCHH){2|O<2>,4|H<1>,5|C<4>}	O(C[6]C[5,5,6,6]N[6])	122.1550	0.000	1	122.1550	0.000	1	122.1550	0.000	1	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[5,6,6]-4:N[6]-3:O-1:	C[4,5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(N[6]C[4,5,6]C)(O)	N[6](C[4,5,6]C[4,5,5]C[4,6,6]C[5])(C[6]C[5,6,6]O)(CCCH)	O(C[6]C[5,6,6]N[6])	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(N[6]C[4,5,6]C)(O){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	N[6](C[4,5,6]C[4,5,5]C[4,6,6]C[5])(C[6]C[5,6,6]O)(CCCH){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	O(C[6]C[5,6,6]N[6])	123.0310	0.000	1	123.0310	0.000	1	123.0160	0.000	2	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[5,6,6]-4:N[6]-3:O-1:	C[4,5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(N[6]C[4,5,6]C)(O)	N[6](C[4,5,6]C[4,5,5]C[4,6,6]C[5])(C[6]C[5,6,6]O)(CCHH)	O(C[6]C[5,6,6]N[6])	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(N[6]C[4,5,6]C)(O){1|Br<1>,1|C<3>,1|O<2>,2|H<1>,6|C<4>}	N[6](C[4,5,6]C[4,5,5]C[4,6,6]C[5])(C[6]C[5,6,6]O)(CCHH){2|O<2>,3|H<1>,5|C<4>}	O(C[6]C[5,6,6]N[6])	123.0010	0.000	1	123.0010	0.000	1	123.0160	0.000	2	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[5,6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[5,6,6]O)(CC[5a]HH)	O(C[6]C[5,6,6]N[6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[5,6,6]O)(CC[5a]HH){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5,6,6]N[6])	121.8170	0.000	1	121.8170	0.000	1	121.8170	0.000	1	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[5,6]C)(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(CH3)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[5,6]C)(O){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	O(C[6]C[5,6]N[6])	122.2750	0.000	1	122.2750	0.000	1	122.2750	0.000	1	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[5,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]CH)	O(C[6]C[5,6]N[6])	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(O){1|O<2>,2|C<4>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]CH){1|N<3>,1|O<2>,3|C<4>}	O(C[6]C[5,6]N[6])	122.2310	0.000	1	122.2310	0.000	1	122.2310	0.000	1	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[3x6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[4x6]C[6]C)(N[6]C[3x6]C)(O)	N[6](C[3x6]C[5x6]C[6,6]H)(C[6]C[6,6]O)(CCHH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[4x6]C[6]C)(N[6]C[3x6]C)(O){1|C<3>,3|C<4>,4|H<1>}	N[6](C[3x6]C[5x6]C[6,6]H)(C[6]C[6,6]O)(CCHH){1|C<3>,6|C<4>}	O(C[6]C[6,6]N[6])	121.0760	0.000	1	121.0760	0.000	1	121.0760	0.000	1	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CC[6a]HH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	N[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]N[6])	121.6720	0.000	1	121.6720	0.000	1	121.5490	0.020	5	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CCHH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|N<3>,2|H<1>,2|O<2>,3|C<4>}	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]N[6])	121.7280	0.000	1	121.7280	0.000	1	121.5490	0.020	5	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CC[6a]HH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]N[6])	121.4960	0.000	1	121.4960	0.000	1	121.5490	0.020	5	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6]O)(CC[5a]HH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6]O)(CC[5a]HH){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]N[6])	121.4245	0.026	2	121.4245	0.001	2	121.5490	0.020	5	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(SC[6a]OO)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(O){1|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(SC[6a]OO){2|H<1>,3|C<4>}	O(C[6]C[6,6]N[6])	120.7383	0.091	3	120.7383	0.008	3	120.7383	0.008	3	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[3,6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6a]C[6]H)(N[6]C[3,6]S)(O)	N[6](C[3,6]C[3,6]C[6a]O[3])(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(N[6]C[3,6]S)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[6](C[3,6]C[3,6]C[6a]O[3])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]N[6])	120.0150	0.000	1	120.0150	0.000	1	120.0150	0.000	1	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[3x6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6]HP)(N[6]C[3x6]C)(O)	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6]HP)(N[6]C[3x6]C)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|P<4>,3|C<4>,4|H<1>}	O(C[6]C[6]N[6])	121.9100	0.000	1	121.9100	0.000	1	121.9100	0.000	1	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6]N[6])	122.6410	0.000	1	122.6410	0.000	1	122.6732	0.445	8	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6]CH)(N[6]C[6,6]C)(O){1|N<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6]N[6])	123.0277	0.337	4	123.0277	0.113	4	122.6732	0.445	8	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(O)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(O){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]N[6])	122.2113	0.903	3	122.2113	0.816	3	122.6732	0.445	8	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6,6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]S)(O)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6]HH)(N[6]C[6,6]S)(O){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO){1|C<3>,1|C<4>,6|H<1>}	O(C[6]C[6]N[6])	119.9660	0.000	1	119.9660	0.000	1	119.9660	0.000	1	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[3,6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[6a]CH)	O(C[6]C[6]N[6])	C[6](C[6]C[3,6]HH)(N[6]C[6]C)(O){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]N[6])	122.4280	0.000	1	122.4280	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[4]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[4]C[6]H)(N[6]C[6]C)(O){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]N[6])	120.8370	0.000	1	120.8370	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6]N[6])	124.4910	0.000	1	124.4910	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){2|C<4>,3|H<1>}	O(C[6]C[6]N[6])	120.9990	0.000	1	120.9990	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CCHH){2|H<1>,3|C<4>}	O(C[6]C[6]N[6])	122.9910	0.000	1	122.9910	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6,6a]HS)(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]HS)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|S<2>,2|C<3>}	O(C[6]C[6]N[6])	121.7145	0.086	2	121.7145	0.007	2	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	N[6](C[6]C[6]2C)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	N[6](C[6]C[6]2C)(C[6]C[6]O)(CH3){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6]N[6])	123.4530	0.000	1	123.4530	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	N[6](C[6]C[6]2H)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]O)(CH3){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6]N[6])	123.2535	0.084	2	123.2535	0.007	2	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]2H)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]2H)(N[6]C[6]C)(O){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]N[6])	123.1900	0.000	1	123.1900	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[6]N[6])	120.9050	0.225	2	120.9050	0.051	2	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){2|H<1>,3|C<4>}	O(C[6]C[6]N[6])	120.9375	0.371	2	120.9375	0.138	2	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[4]C[6]H)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[4]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]N[6])	121.1250	0.000	1	121.1250	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6]N[6])	121.9970	0.000	1	121.9970	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	121.0310	0.000	1	121.0310	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]N[6])	121.5365	0.578	4	121.8733	0.502	6	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]N[6])	122.2750	0.000	1	121.8733	0.502	6	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	O(C[6]C[6]N[6])	122.8190	0.000	1	121.8733	0.502	6	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]N[6])	121.1630	0.000	1	121.1630	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<2>,2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	123.9100	0.000	1	122.2233	3.032	3	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){2|C<4>,3|H<1>}	O(C[6]C[6]N[6])	121.3800	1.341	2	122.2233	3.032	3	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	O(C[6]C[6]N[6])	120.7310	0.000	1	121.1355	0.327	2	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	O(C[6]C[6]N[6])	121.5400	0.000	1	121.1355	0.327	2	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	121.2370	0.000	1	121.2370	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6a]HH){2|C<4>,3|H<1>}	O(C[6]C[6]N[6])	121.1920	0.000	1	121.1920	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH){1|C<4>,4|H<1>}	O(C[6]C[6]N[6])	120.3000	0.000	1	120.3000	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]HH){1|C<4>,4|H<1>}	O(C[6]C[6]N[6])	121.0250	0.000	1	121.0250	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HN)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]C[6]HN)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]N[6])	121.2360	0.577	2	121.2360	0.333	2	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]N[6])	120.7120	0.000	1	120.7120	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6]N[6])	121.0860	0.000	1	122.3427	1.441	3	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6]N[6])	122.9710	0.717	2	122.3427	1.441	3	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCCH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCCH){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6]N[6])	120.6950	0.000	1	120.6950	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6]N[6])	120.3620	0.187	2	120.3620	0.035	2	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6])	120.8010	0.000	1	121.9765	2.764	2	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6])	123.1520	0.000	1	121.9765	2.764	2	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HN)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HN)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]N[6])	123.2190	0.000	1	123.2190	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HO)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HO)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]N[6])	122.2150	0.000	1	122.2150	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HO)(N[6]C[6]C)(O)	N[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HO)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6]HO)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]N[6])	122.4165	2.381	2	122.4165	5.668	2	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]HS)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HS)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,3|H<1>}	O(C[6]C[6]N[6])	122.6750	0.000	1	122.6750	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]II)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]II)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|H<1>,2|I<1>}	O(C[6]C[6]N[6])	122.0470	0.000	1	122.0470	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]SS)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]C[6]SS)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|H<1>,2|S<2>}	O(C[6]C[6]N[6])	121.7108	0.213	5	121.7108	0.045	5	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(O){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|N<3>,3|C<3>,3|H<1>}	O(C[6]C[6]N[6])	121.9760	0.000	1	121.9760	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6,6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]N[6,6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(CCHH){1|N<3>,3|C<3>,3|H<1>}	O(C[6]C[6]N[6])	122.8680	0.000	1	122.8680	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CC)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CC)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<2>,1|O<2>,2|C<4>}	O(C[6]C[6]N[6])	121.3270	0.000	1	121.3270	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	121.9683	0.740	3	121.9683	0.547	3	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	121.4790	0.000	1	121.4790	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	O(C[6]C[6]N[6])	122.7750	0.000	1	123.2670	0.200	3	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	123.3760	0.000	1	123.2670	0.200	3	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	123.6500	0.000	1	123.2670	0.200	3	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	123.0295	0.590	2	122.6578	0.293	15	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	122.6006	0.535	13	122.6578	0.293	15	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CO)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>}	N[6](C[6]C[6]CO)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	121.4383	0.468	3	121.4383	0.219	3	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]N[6])	122.3110	0.838	3	122.3110	0.702	3	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	124.3660	0.000	1	124.3660	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	122.5410	0.000	1	122.7570	0.093	2	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6]N[6])	122.9730	0.000	1	122.7570	0.093	2	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<2>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	124.7110	0.000	1	124.7193	0.033	3	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	124.7235	0.255	2	124.7193	0.033	3	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	122.1620	0.000	1	122.1620	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CO)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CO)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	O(C[6]C[6]N[6])	122.2007	0.931	3	122.2007	0.868	3	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CO)(N[6]C[6]C)(O)	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CO)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	O(C[6]C[6]N[6])	122.5410	0.000	1	122.5410	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CS)(N[6]C[6]C)(O)	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CS)(N[6]C[6]C)(O){1|C<3>,1|S<2>,2|C<4>}	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	O(C[6]C[6]N[6])	121.7135	0.240	2	122.0343	0.338	3	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]CS)(N[6]C[6]C)(O)	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CS)(N[6]C[6]C)(O){1|C<4>,1|S<2>,2|C<3>}	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	O(C[6]C[6]N[6])	122.6760	0.000	1	122.0343	0.338	3	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	121.7580	0.000	1	123.1150	3.683	2	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	124.4720	0.000	1	123.1150	3.683	2	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	123.1490	0.000	1	123.1490	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	123.1950	0.749	11	123.1237	0.591	17	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	122.3110	0.000	1	123.1237	0.591	17	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	122.2030	0.000	1	123.1237	0.591	17	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<4>,2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	123.4070	0.000	1	123.1237	0.591	17	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|Co<6>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<4>,4|H<1>}	O(C[6]C[6]N[6])	123.3820	0.000	1	123.1237	0.591	17	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|Ni<6>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<4>,4|H<1>}	O(C[6]C[6]N[6])	124.3400	0.000	1	123.1237	0.591	17	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<4>,4|H<1>}	O(C[6]C[6]N[6])	122.3150	0.000	1	123.1237	0.591	17	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	122.9020	0.000	1	122.9020	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	122.9140	0.141	2	122.9140	0.020	2	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CSiHH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CSiHH){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	120.2710	0.000	1	120.2710	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH){1|N<3>,3|C<3>,3|H<1>}	O(C[6]C[6]N[6])	122.8600	0.000	1	122.8600	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|N<3>,3|C<3>,3|H<1>}	O(C[6]C[6]N[6])	122.8810	0.000	1	122.8810	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]N[6]HO)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HO)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	O(C[6]C[6]N[6])	124.1210	0.000	1	124.1210	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]O[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](C[6]O[6]CH)(N[6]C[6]C)(O){1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]N[6])	122.6870	0.000	1	122.6870	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]S[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6])	C[6](C[6]S[6]HH)(N[6]C[6]C)(O){1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|S<2>,3|H<1>}	O(C[6]C[6]N[6])	122.6810	0.000	1	122.6810	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]S[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]S[6]HH)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|S<3>,4|H<1>}	O(C[6]C[6]N[6])	124.6220	0.000	1	124.6220	0.000	1	122.3484	1.228	131	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6]S)(O)	N[6](C[6]C[6,6]HH)(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6]S)(O){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]O)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6]N[6])	120.3400	0.038	2	120.3400	0.001	2	120.5458	0.691	5	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O)	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	121.7720	0.000	1	121.7720	0.000	1	120.5458	0.691	5	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]CC)(N[6]C[6]S)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CC)(N[6]C[6]S)(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO){2|H<1>,3|C<4>}	O(C[6]C[6]N[6])	119.4890	0.000	1	119.4890	0.000	1	120.5458	0.691	5	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6]HH)(N[6]C[6]S)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](C[6]C[6]HH)(N[6]C[6]S)(O){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO){1|C<4>,4|H<1>}	O(C[6]C[6]N[6])	120.7880	0.000	1	120.7880	0.000	1	120.5458	0.691	5	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP2	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:Si-4:	C[6]-3:	C[6](C[6]N[6]HH)(N[6]C[6]Si)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(SiC3)	O(C[6]C[6]N[6])	C[6](C[6]N[6]HH)(N[6]C[6]Si)(O){1|Si<4>,1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(SiC3){1|N<3>,1|O<1>,2|H<1>}	O(C[6]C[6]N[6])	121.9587	0.192	3	121.9587	0.037	3	121.9587	0.037	3	122.2576	1.311	169	121.2873	2.872	4865	121.3636	2.978	5162
762	856	863	0:SP2_SP2_SP3	C[6,6]	N[6,6]	O	4:3:1:	4:3:4:	3:	C[3x6]-4:N[6,6]-3:O-1:	C[3x6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O)	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	O(C[6,6]C[3x6]N[6,6])	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(N[6,6]C[3x6]C)(O){1|N<3>,1|O<1>,5|C<3>}	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	O(C[6,6]C[3x6]N[6,6])	123.1935	0.284	2	123.1935	0.080	2	123.1935	0.080	2	123.1935	0.080	2	123.1935	0.080	2	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6,6]	O	3:2:1:	4:4:3:	3:	N[6,6]-3:O[6]-2:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	O(C[6]N[6,6]O[6])	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]N[6,6]O[6])	126.9940	0.000	1	126.9940	0.000	1	126.9940	0.000	1	126.9940	0.000	1	121.6115	3.935	17	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6,6]	O	3:3:1:	3:3:4:	3:	N[6,6]-3:N[6,6]-3:O-1:	N[6,6]-3:C[6]-3:C[6]-4:	C[6]-3:	C[6](N[6,6]N[6,6]C[6])2(O)	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH)	O(C[6]N[6,6]2)	C[6](N[6,6]N[6,6]C[6])2(O){1|P<4>,4|C<4>,4|H<1>}	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<2>,1|S<1>,2|C<4>,4|H<1>}	O(C[6]N[6,6]2)	123.3320	0.000	1	123.3320	0.000	1	123.3320	0.000	1	123.3320	0.000	1	121.6115	3.935	17	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6,6]	O	3:3:1:	3:4:3:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]O)(C[6]C[6,6a]O)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(O){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]O)(C[6]C[6,6a]O){2|C<4>,6|C<3>}	O(C[6]C[6,6a]N[6,6])	119.8060	0.000	1	119.8060	0.000	1	119.8060	0.000	1	118.7530	2.218	2	121.6115	3.935	17	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6,6]	O	3:3:1:	3:4:3:	3:	N[6,6]-3:C[6,6]-3:O-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]2)(O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6]O)	O(C[6]C[6,6]N[6,6])	C[6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]2)(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6]O){1|S<2>,2|H<1>,6|C<3>}	O(C[6]C[6,6]N[6,6])	117.7000	0.000	1	117.7000	0.000	1	117.7000	0.000	1	118.7530	2.218	2	121.6115	3.935	17	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6,6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]N[6,6])	121.7290	0.000	1	121.7290	0.000	1	121.7850	0.006	2	121.7850	0.006	2	121.6115	3.935	17	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6,6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6,6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O)	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	O(C[6]C[6,6a]N[6,6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6,6])	121.8410	0.000	1	121.8410	0.000	1	121.7850	0.006	2	121.7850	0.006	2	121.6115	3.935	17	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6,6]	O	3:3:1:	4:4:3:	3:	N[6,6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O(C[6]N[6,6]C[6])	122.2640	0.000	1	122.2640	0.000	1	121.7220	0.221	3	121.7220	0.221	3	121.6115	3.935	17	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6,6]	O	3:3:1:	4:4:3:	3:	N[6,6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<4>,2|C<3>,4|H<1>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6]O){2|H<1>,3|C<3>}	O(C[6]N[6,6]C[6])	121.4760	0.000	1	121.4760	0.000	1	121.7220	0.221	3	121.7220	0.221	3	121.6115	3.935	17	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6,6]	O	3:3:1:	4:4:3:	3:	N[6,6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]S)(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]S)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	O(C[6]N[6,6]C[6])	121.4260	0.000	1	121.4260	0.000	1	121.7220	0.221	3	121.7220	0.221	3	121.6115	3.935	17	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6,6]	O	3:4:1:	3:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O)	N[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]N[6,6]C[6])(C[6]N[6]CH)(O){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	O(C[6]N[6,6]C[6])	122.6060	0.000	1	122.6060	0.000	1	122.6060	0.000	1	122.6060	0.000	1	121.6115	3.935	17	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6,6]	O	3:4:1:	4:2:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:O[6]-2:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]O[6])(C[6]N[6]CH)(O)	N[6,6](C[6,6]C[6]2S)(O[6]C[6,6])(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]O[6])(C[6]N[6]CH)(O){1|C<3>,1|S<2>,3|C<4>}	N[6,6](C[6,6]C[6]2S)(O[6]C[6,6])(C[6]C[6]O){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	O(C[6]N[6,6]C[6])	123.4050	0.000	1	123.4050	0.000	1	123.4050	0.000	1	123.4050	0.000	1	121.6115	3.935	17	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O){1|N<3>,2|C<4>,5|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	O(C[6]N[6,6]C[6])	120.6510	0.000	1	121.1345	0.468	2	121.1287	0.234	3	120.8027	0.758	6	121.6115	3.935	17	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O){1|N<3>,2|C<4>,5|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|C<4>,4|H<1>}	O(C[6]N[6,6]C[6])	121.6180	0.000	1	121.1345	0.468	2	121.1287	0.234	3	120.8027	0.758	6	121.6115	3.935	17	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O)	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(O){1|N<3>,3|C<4>,4|H<1>}	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|H<1>,4|C<4>}	O(C[6]N[6,6]C[6])	121.1170	0.000	1	121.1170	0.000	1	121.1287	0.234	3	120.8027	0.758	6	121.6115	3.935	17	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[5,3x6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6,6]HH)(O)	N[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6,6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	N[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	O(C[6]N[6,6]C[6])	121.0890	0.000	1	121.0890	0.000	1	121.0890	0.000	1	120.8027	0.758	6	121.6115	3.935	17	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	O(C[6]N[6,6]C[6])	121.2010	0.000	1	121.2010	0.000	1	120.1705	2.124	2	120.8027	0.758	6	121.6115	3.935	17	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6,6]	O	3:4:1:	4:4:3:	3:	N[6,6]-3:C[6]-4:O-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	O(C[6]N[6,6]C[6])	119.1400	0.000	1	119.1400	0.000	1	120.1705	2.124	2	120.8027	0.758	6	121.6115	3.935	17	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	2:3:1:	4:3:1:	3:	O[6]-2:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](O[6]C[6,6a])(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]HN)(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](O[6]C[6,6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]HN)(C[6]O[6]O)(H){2|C<3>}	O(C[6]N[6]O[6])	124.2870	0.000	1	124.2870	0.000	1	124.2870	0.000	1	124.2870	0.000	1	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:2:1:	3:3:1:	3:	N[6]-3:O[6]-2:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]H)(O[6]C[4,6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	O(C[6]N[6]O[6])	C[6](N[6]C[6,6a]H)(O[6]C[4,6])(O){2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[6]N[6]O[6])	124.3900	0.000	1	124.3900	0.000	1	124.3900	0.000	1	124.3900	0.000	1	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	3:2:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](C[6]N[6]O)(N[6]C[6])(CCCH)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|C<3>,1|H<1>}	N[6](C[6]N[6]O)(N[6]C[6])(CCCH){1|C<3>,1|C<4>,1|N<3>}	O(C[6]N[6]2)	121.6920	0.000	1	121.6920	0.000	1	122.2875	0.709	2	121.0397	2.445	4	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	3:2:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](C[6]N[6]O)(N[6]C[6])(CH3)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|C<3>,1|C<4>}	N[6](C[6]N[6]O)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6]N[6]2)	122.8830	0.000	1	122.8830	0.000	1	122.2875	0.709	2	121.0397	2.445	4	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	3:2:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:O[6]-2:C-4:	C[6]-3:	C[6](N[6]C[6]H)(N[6]O[6]C)(O)	N[6](C[6]N[6]O)(O[6]C[6])(CH3)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]O[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]N[6]O)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|O<1>}	O(C[6]N[6]2)	119.7920	0.632	2	119.7920	0.400	2	119.7920	0.400	2	121.0397	2.445	4	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	3:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:	C[6](N[6]N[6]C)2(O)	N[6](C[6]N[6]O)(N[6]C[6]H)(CCCH)	O(C[6]N[6]2)	C[6](N[6]N[6]C)2(O){1|C<3>,1|H<1>}	N[6](C[6]N[6]O)(N[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|N<2>}	O(C[6]N[6]2)	124.2400	0.000	1	124.2400	0.000	1	124.2400	0.000	1	124.2400	0.000	1	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	3:4:1:	3:	C[5,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)(O){3|C<4>,3|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H){2|H<1>,2|N<3>}	O(C[6]C[5,6]N[6])	126.7470	0.000	1	126.7470	0.000	1	126.7470	0.000	1	126.7470	0.000	1	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	3:4:2:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:O-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC){1|C<4>,3|C<3>}	O(C[6]C[6,6a]N[6])	123.4470	0.000	1	123.4470	0.000	1	121.2380	9.759	2	121.2380	9.759	2	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	3:4:2:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:O-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(OH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(OH){1|H<1>,2|C<3>}	O(C[6]C[6,6a]N[6])	119.0290	0.000	1	119.0290	0.000	1	121.2380	9.759	2	121.2380	9.759	2	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[5a,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]3)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O){1|N<3>,2|C<3>,3|H<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]3){3|C<3>}	O(C[6]C[5a,6]N[6])	123.2840	0.000	1	123.2840	0.000	1	123.2840	0.000	1	123.4059	0.908	8	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6,6a]N[6])	122.6800	0.000	1	122.6800	0.000	1	122.5160	0.948	3	123.4059	0.908	8	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[3]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[3]HH){1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6,6a]N[6])	123.3970	0.000	1	123.3970	0.000	1	122.5160	0.948	3	123.4059	0.908	8	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(O){1|N<3>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3){1|H<1>,2|C<3>}	O(C[6]C[6,6a]N[6])	121.4710	0.000	1	121.4710	0.000	1	122.5160	0.948	3	123.4059	0.908	8	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	3:4:4:	3:	N[6,6]-3:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O)	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	O(C[6]N[6,6]N[6])	C[6](N[6,6]N[6,6]C[6])(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	O(C[6]N[6,6]N[6])	124.1038	0.200	4	124.1038	0.040	4	124.1038	0.040	4	123.4059	0.908	8	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[3,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O)	N[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3,6]H)(O){1|H<1>,2|C<4>,3|C<3>}	N[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H){3|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	120.8930	0.000	1	120.8930	0.000	1	120.8930	0.000	1	122.2334	4.389	13	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O)	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]H)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6a]N[6])	121.5730	0.000	1	121.5730	0.000	1	121.5730	0.000	1	122.2334	4.389	13	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O)	N[6](C[6]C[5a]C[6a]N[6])(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6]C[5a]C[6a]N[6])(C[6]C[6,6a]O)(H){1|H<1>,1|O<2>,5|C<3>}	O(C[6]C[6,6a]N[6])	121.7920	0.000	1	121.7920	0.000	1	121.7920	0.000	1	122.2334	4.389	13	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]S[6]CC)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,1|S<2>,2|C<4>}	N[6](C[6]S[6]CC)(C[6]C[6]O)(H){1|C<2>,1|C<3>}	O(C[6]C[6]N[6])	120.5420	0.000	1	120.5420	0.000	1	121.0410	0.498	2	122.2334	4.389	13	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O)	N[6](C[6]N[6]CH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]N[6]CH)(C[6]C[6]O)(H){3|C<3>}	O(C[6]C[6]N[6])	121.5400	0.000	1	121.5400	0.000	1	121.0410	0.498	2	122.2334	4.389	13	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O)	N[6](C[4,6]C[4,6]2H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[4,6]H)(N[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	N[6](C[4,6]C[4,6]2H)(C[6]N[6]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(C[6]N[6]2)	122.8870	0.000	1	122.8870	0.000	1	122.8870	0.000	1	122.2334	4.389	13	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O)	N[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(O){2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	O(C[6]N[6]2)	120.0220	0.000	1	120.0220	0.000	1	122.8296	7.330	7	122.2334	4.389	13	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	O(C[6]N[6]2)	123.4290	0.000	1	123.4290	0.000	1	122.8296	7.330	7	122.2334	4.389	13	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]O[6]C)(O)	N[6](C[6]C[6]CH)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]O[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,1|O<2>}	O(C[6]N[6]2)	126.0910	0.286	2	126.0910	0.082	2	122.8296	7.330	7	122.2334	4.389	13	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6]CO)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6]CO)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]N[6]2)	120.2360	0.412	2	120.2360	0.169	2	122.8296	7.330	7	122.2334	4.389	13	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:1:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](N[6]C[6]H)2(O)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	O(C[6]N[6]2)	C[6](N[6]C[6]H)2(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	O(C[6]N[6]2)	123.7020	0.000	1	123.7020	0.000	1	122.8296	7.330	7	122.2334	4.389	13	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:2:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]O)(O)	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(OC)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]O)(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(OC){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[6])	121.9740	0.000	1	121.9740	0.000	1	121.9740	0.000	1	122.2438	1.781	5	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:2:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:N-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|N<3>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC){1|H<1>,1|N<2>,3|C<3>}	O(C[6]C[6,6a]N[6])	120.6170	0.000	1	120.6170	0.000	1	120.6170	0.000	1	122.2438	1.781	5	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:2:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O)	N[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]O)(OC)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(O){1|H<1>,1|O<2>,4|C<3>}	N[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]O)(OC){1|O<1>,4|C<3>}	O(C[6]C[6,6a]N[6])	122.2500	0.000	1	122.2500	0.000	1	122.2500	0.000	1	122.2438	1.781	5	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:2:	3:	N[5a,6]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:O-2:	C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]O)(O)	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]N[5a,6]O)(OC)	O(C[6]N[5a,6]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]O)(O){2|C<4>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]N[5a,6]O)(OC){1|H<1>,1|N<3>,4|C<3>}	O(C[6]N[5a,6]N[6])	124.3330	0.000	1	124.3330	0.000	1	124.3330	0.000	1	122.2438	1.781	5	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:2:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:	C[6](N[6]C[5,6]O)(N[6]C[6]O)(O)	N[6](C[6]N[6]CH)(C[6]N[6]O)(OC)	O(C[6]N[6]2)	C[6](N[6]C[5,6]O)(N[6]C[6]O)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]N[6]CH)(C[6]N[6]O)(OC){1|C<4>,1|H<1>,1|O<2>}	O(C[6]N[6]2)	122.0450	0.000	1	122.0450	0.000	1	122.0450	0.000	1	122.2438	1.781	5	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:N-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]N)(O)	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]O)(NCH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]N)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]O)(NCH){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]N[6])	121.6455	0.168	2	121.6455	0.028	2	121.6455	0.028	2	121.6350	0.011	4	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6,6]-4:N[6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[6])(O)	N[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6,6]C[6])(C[6]C[6,6a]O)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]N[6])(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6,6]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	O(C[6]C[6,6a]N[6])	121.6680	0.000	1	121.6680	0.000	1	121.6680	0.000	1	121.6350	0.011	4	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:3:	3:	C[6,6a]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:N-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O)	N[6](C[6]C[5]N[6]H)(C[6]C[6,6a]O)(NFeC)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(O){1|N<3>,2|H<1>,3|C<3>}	N[6](C[6]C[5]N[6]H)(C[6]C[6,6a]O)(NFeC){1|H<1>,1|N<3>,3|C<3>}	O(C[6]C[6,6a]N[6])	121.5810	0.000	1	121.5810	0.000	1	121.5810	0.000	1	121.6350	0.011	4	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6,6a]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O)	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	O(C[6]C[6,6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(O){1|N<3>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH){5|C<3>}	O(C[6]C[6,6a]N[6])	121.5330	0.000	1	121.5330	0.000	1	121.5330	0.000	1	122.1115	0.726	8	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CH){2|C<3>,2|H<1>}	O(C[6]C[6]N[6])	122.3000	0.000	1	122.3000	0.000	1	121.8460	0.412	2	122.1115	0.726	8	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	C[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]S)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	O(C[6]C[6]N[6])	C[6](C[6]C[6]S)(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|S<3>,2|H<1>}	O(C[6]C[6]N[6])	121.3920	0.000	1	121.3920	0.000	1	121.8460	0.412	2	122.1115	0.726	8	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[5,6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5,6,6]C)(N[6]C[6]C)(O)	N[6](C[5,6,6]C[5,6,6]N[5]O[6])(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[5,6,6]C)(N[6]C[6]C)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	N[6](C[5,6,6]C[5,6,6]N[5]O[6])(C[6]N[6]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]N[6]2)	122.6115	1.494	2	122.6115	2.232	2	122.6115	2.232	2	122.1115	0.726	8	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[5,6]C)(N[6]C[6]C)(O)	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CH3)	O(C[6]N[6]2)	C[6](N[6]C[5,6]C)(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<3>}	N[6](C[5,6]C[5,6a]2N[6])(C[6]N[6]O)(CH3){2|C<4>,5|C<3>}	O(C[6]N[6]2)	122.9090	0.000	1	122.9090	0.000	1	122.9090	0.000	1	122.1115	0.726	8	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6,6]C)2(O)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH)	O(C[6]N[6]2)	C[6](N[6]C[6,6]C)2(O){1|C<4>,2|H<1>,2|N<3>}	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	O(C[6]N[6]2)	121.2250	0.000	1	121.2250	0.000	1	121.2250	0.000	1	122.1115	0.726	8	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:3:1:	4:3:4:	3:	N[6]-3:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](N[6]C[6]C)2(O)	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH)	O(C[6]N[6]2)	C[6](N[6]C[6]C)2(O){1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH){3|C<4>}	O(C[6]N[6]2)	122.3100	0.000	1	122.3100	0.000	1	122.3100	0.000	1	122.1115	0.726	8	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(O){4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|Cl<1>,1|N<2>,1|O<2>,3|H<1>,4|C<3>}	O(C[6]C[6]N[6])	122.6550	0.000	1	122.6550	0.000	1	122.6550	0.000	1	121.7835	1.519	2	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:4:1:	3:3:3:	3:	N[6]-3:C[6]-4:O-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O)	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(O){2|C<4>,4|C<3>}	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	O(C[6]C[6]N[6])	120.9120	0.000	1	120.9120	0.000	1	120.9120	0.000	1	121.7835	1.519	2	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:4:1:	3:3:4:	3:	N[6]-3:C[6]-4:O-1:	N[5a,6]-3:C[6]-3:C-4:	C[6]-3:	C[6](N[6]N[5a,6]C)(C[6]C[6]HH)(O)	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6])	C[6](N[6]N[5a,6]C)(C[6]C[6]HH)(O){1|H<1>,3|C<3>}	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]O)(CC[6a]HH){2|C<4>,2|H<1>,2|N<2>}	O(C[6]C[6]N[6])	119.2960	0.000	1	119.2960	0.000	1	119.2960	0.000	1	119.2960	0.000	1	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	3:4:1:	4:3:3:	3:	N[6]-3:C[6]-4:O-1:	C[5,6,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[5,6,6]C[6a])(C[6]C[6]HH)(O)	N[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[6]N[6])	C[6](N[6]C[5,6,6]C[6a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){3|H<1>,4|C<3>,5|C<4>}	O(C[6]C[6]N[6])	121.4790	0.000	1	121.4790	0.000	1	121.4790	0.000	1	121.4790	0.000	1	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6,6a]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(O){1|H<1>,1|O<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]N[6])	121.3480	0.000	1	121.3480	0.000	1	121.3480	0.000	1	120.6685	0.923	2	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	4:3:1:	3:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O)	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(O){1|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]N[6])	119.9890	0.000	1	119.9890	0.000	1	119.9890	0.000	1	120.6685	0.923	2	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	4:3:1:	3:4:1:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:H-1:	C[6]-3:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)	O(C[6]C[6,6]N[6])	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6,6]N[6])	122.6040	0.000	1	122.6040	0.000	1	122.6040	0.000	1	122.6040	0.000	1	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	4:3:1:	3:4:2:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C-4:O[6]-2:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]O[6]C)(O)	N[6](C[6]C[6,6]O)(CC[6a]HH)(O[6]C[6])	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]O[6]C)(O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6]O)(CC[6a]HH)(O[6]C[6]){2|H<1>,3|C<4>}	O(C[6]C[6,6]N[6])	121.5100	0.000	1	121.5100	0.000	1	121.5100	0.000	1	121.5100	0.000	1	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	4:3:1:	3:4:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-3:C[6]-4:C-4:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH){2|C<4>,3|H<1>}	O(C[6]C[6,6]N[6])	121.0087	0.168	4	121.0087	0.028	4	121.0087	0.028	4	121.0087	0.028	4	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	4:3:1:	4:3:1:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]H)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	122.7920	0.000	1	122.7920	0.000	1	122.7920	0.000	1	122.7920	0.000	1	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	4:3:1:	4:3:2:	3:	C[6]-4:N[6]-3:O-1:	C[5,6,6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6,6a]HH)(N[6]C[5,6,6]O)(O)	N[6](C[5,6,6]C[5,6,6a]C[5,6]C[6])(C[6]C[6]O)(OC)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]HH)(N[6]C[5,6,6]O)(O){2|C<3>,2|C<4>}	N[6](C[5,6,6]C[5,6,6a]C[5,6]C[6])(C[6]C[6]O)(OC){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6]N[6])	121.4240	0.000	1	121.4240	0.000	1	121.4240	0.000	1	122.2269	0.563	7	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	4:3:1:	4:3:2:	3:	C[6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[5,6]CC)(N[6]C[5,6]O)(O)	N[6](C[5,6]C[3,5]O[5,6]C)(C[6]C[6]O)(OC)	O(C[6]C[6]N[6])	C[6](C[6]C[5,6]CC)(N[6]C[5,6]O)(O){2|O<2>,3|C<4>}	N[6](C[5,6]C[3,5]O[5,6]C)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6]N[6])	122.3160	0.000	1	122.3160	0.000	1	122.0102	0.071	4	122.2269	0.563	7	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	4:3:1:	4:3:2:	3:	C[6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[5,6]CC)(N[6]C[5,6]O)(O)	N[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(OC)	O(C[6]C[6]N[6])	C[6](C[6]C[5,6]CC)(N[6]C[5,6]O)(O){2|O<2>,3|C<4>}	N[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[6]N[6])	122.1290	0.000	1	122.1290	0.000	1	122.0102	0.071	4	122.2269	0.563	7	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	4:3:1:	4:3:2:	3:	C[6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[6]C[6,6a]HH)(N[6]C[5,6]O)(O)	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(OC)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]HH)(N[6]C[5,6]O)(O){2|C<3>,2|C<4>}	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(OC){1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6]N[6])	121.7980	0.120	2	121.7980	0.014	2	122.0102	0.071	4	122.2269	0.563	7	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	4:3:1:	4:3:2:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[6]N[6]CH)(N[6]C[6]O)(O)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	O(C[6]C[6]N[6])	C[6](C[6]N[6]CH)(N[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6])	123.7470	0.000	1	123.7470	0.000	1	123.0615	0.940	2	122.2269	0.563	7	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	4:3:1:	4:3:2:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[6]O[6]CC)(N[6]C[6]O)(O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]N[6])	C[6](C[6]O[6]CC)(N[6]C[6]O)(O){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>}	O(C[6]C[6]N[6])	122.3760	0.000	1	122.3760	0.000	1	123.0615	0.940	2	122.2269	0.563	7	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	O(C[6]C[5,6]N[6])	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5,6]N[6])	124.2770	0.095	2	124.2770	0.009	2	124.2770	0.009	2	122.7144	2.485	5	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[6]C[6]CH)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(COO)	O(C[6]C[6]N[6])	C[6](C[6]C[6]CH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]N[6])	122.4810	0.000	1	122.4810	0.000	1	122.4810	0.000	1	122.7144	2.485	5	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:S-3:	C[6]-3:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO)	O(C[6]C[6]N[6])	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(O){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO){2|H<1>,4|C<3>}	O(C[6]C[6]N[6])	121.2685	0.900	2	121.2685	0.810	2	121.2685	0.810	2	122.7144	2.485	5	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6,6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6,6]C[5,5,3x6]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[5,5,6,6]CH)(C[6]C[6,6]O)(CC[6a]HH)	O(C[6]C[6,6]N[6])	C[6](C[6,6]C[5,5,3x6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[5,5,6,6]CH)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,4|C<4>}	O(C[6]C[6,6]N[6])	120.4930	0.000	1	120.4930	0.000	1	120.4930	0.000	1	120.4345	0.007	2	122.1851	2.522	75	122.1028	2.760	94
762	856	863	0:SP2_SP2_SP3	C[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O)	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(O){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]N[6])	120.3760	0.000	1	120.3760	0.000	1	120.3760	0.000	1	120.4345	0.007	2	122.1851	2.522	75	122.1028	2.760	94