762	478	818	6:SP2_SP2_SP3	C[6]	C[4,6]	C[5,6,6]	3:4:1:	4:3:3:1:	4:4:3:	C[5,6,6]-3:C[4,6]-4:H-1:	C[4,6]-4:C[6]-3:C[4]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[4,6]C[4,6]C[4]H)(H)	C[4,6](C[4,6]C[4]C[6]O)(C[6]C[5,6,6]H)(C[4]C[4]H)(H)	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,3x6]C[6]H)(C[6]C[4,6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[4,6]C[4,6]C[4]H)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[4,6](C[4,6]C[4]C[6]O)(C[6]C[5,6,6]H)(C[4]C[4]H)(H){2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6,6]C[5,5,3x6]C[6]H)(C[6]C[4,6]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	120.5970	0.000	1	120.5970	0.000	1	120.5970	0.000	1	120.5970	0.000	1	120.5970	0.000	1	120.3220	0.150	7
762	478	818	6:SP2_SP2_SP3	C[6]	C[4,6]	C[5,6]	3:4:1:	4:4:3:1:	3:3:3:	C[5,6]-3:C[4,6]-4:H-1:	C[4,6]-4:C[4,5]-4:C[6]-3:H-1:	C[5,6,6a]-3:C[5,6a]-3:C[6]-3:	C[6](C[5,6]C[5,6,6a]C[5,6a])(C[4,6]C[4,5]C[4,6]H)(H)	C[4,6](C[4,6]C[6,6a]C[4,5]H)(C[4,5]C[4,5]C[5]H)(C[6]C[5,6]H)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[4,6]H)	C[6](C[5,6]C[5,6,6a]C[5,6a])(C[4,6]C[4,5]C[4,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[4,6](C[4,6]C[6,6a]C[4,5]H)(C[4,5]C[4,5]C[5]H)(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[4,6]H){2|C<4>,2|H<1>,4|C<3>}	120.2762	0.403	6	120.2762	0.163	6	120.2762	0.163	6	120.2762	0.163	6	120.2762	0.163	6	120.3220	0.150	7
762	478	830	0:SP2_SP-NON_SP3	C[6,6]	C[4,3x6]	F	4:3:1:	4:4:3:1:	3:	C[4,3x6]-4:C[6,6]-3:F-1:	C[4,3x6]-4:C[4,3x6]-4:C[6,6]-3:F-1:	C[6,6]-3:	C[6,6](C[4,3x6]C[4,3x6]2F)(C[6,6]C[4x6]F)(F)	C[4,3x6](C[4,3x6]C[3x6]C[4,6]F)2(C[6,6]C[6,6]F)(F)	F(C[6,6]C[4,3x6]C[6,6])	C[6,6](C[4,3x6]C[4,3x6]2F)(C[6,6]C[4x6]F)(F){1|H<1>,2|F<1>,3|C<4>}	C[4,3x6](C[4,3x6]C[3x6]C[4,6]F)2(C[6,6]C[6,6]F)(F){1|C<4>,1|F<1>,2|O<2>,4|H<1>}	F(C[6,6]C[4,3x6]C[6,6])	119.4880	0.000	1	119.4880	0.000	1	119.4880	0.000	1	119.4880	0.000	1	119.4880	0.000	1	119.4880	0.000	1
762	478	856	0:SP2_SP2_SP3	C[6]	C[4]	N[6]	4:3:3:	3:3:3:1:	3:3:4:	C[4]-4:C[6]-3:N[6]-3:	C[6]-3:C[4]-3:C[4]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]C)	C[4](C[6]C[6]N[6])(C[4]C[4]C)2(H)	N[6](C[6]C[4]C[6])(C[6]C[6]H)(CH3)	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[4](C[6]C[6]N[6])(C[4]C[4]C)2(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[4]C[6])(C[6]C[6]H)(CH3){3|C<3>,3|H<1>}	120.9170	0.000	1	120.9170	0.000	1	120.9170	0.000	1	120.9170	0.000	1	118.2785	6.478	6	118.2785	6.478	6
762	478	856	0:SP2_SP2_SP3	C[6]	C[4]	N[6]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6]-3:N[6]-3:	C[4]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]H)	C[4](C[4]C[4]C[6]H)2(C[6]C[6]N[6])(H)	N[6](C[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[4]C[6]H)2(C[6]C[6]N[6])(H){3|H<1>,7|C<3>}	N[6](C[6]C[4]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	115.6450	0.000	1	115.6450	0.000	1	115.9763	0.180	3	115.9763	0.180	3	118.2785	6.478	6	118.2785	6.478	6
762	478	856	0:SP2_SP2_SP3	C[6]	C[4]	N[6]	4:3:3:	4:4:3:1:	3:3:1:	C[4]-4:C[6]-3:N[6]-3:	C[4]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]H)	C[4](C[4]C[6a]C[4]H)(C[4]C[4]C[6]H)(C[6]C[6]N[6])(H)	N[6](C[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)(C[4]C[4]C[6]H)(C[6]C[6]N[6])(H){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	N[6](C[6]C[4]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	116.1420	0.443	2	116.1420	0.196	2	115.9763	0.180	3	115.9763	0.180	3	118.2785	6.478	6	118.2785	6.478	6
762	478	856	0:SP2_SP2_SP3	C[6]	C[4]	N[6]	4:3:3:	4:4:3:1:	3:3:4:	C[4]-4:C[6]-3:N[6]-3:	C[4]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]C)	C[4](C[4]C[6a]C[4]H)2(C[6]C[6]N[6])(H)	N[6](C[6]C[4]C[6])(C[6]C[6]H)(CH3)	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[4](C[4]C[6a]C[4]H)2(C[6]C[6]N[6])(H){1|C<4>,2|H<1>,7|C<3>}	N[6](C[6]C[4]C[6])(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	120.4125	0.241	2	120.4125	0.058	2	120.4125	0.058	2	120.4125	0.058	2	118.2785	6.478	6	118.2785	6.478	6
762	478	856	6:SP2_SP2_SP3	C[6,6]	C[4,3x6]	N[6,6]	4:3:1:	4:4:3:3:	3:3:4:	C[4,3x6]-4:N[6,6]-3:O-1:	C[4,6,6]-4:C[4,6,6]-4:C[6,6a]-3:C[6,6]-3:	C[6,6]-3:C[6,6]-3:C-4:	C[6,6](C[4,3x6]C[4,6,6]2C[6,6a])(N[6,6]C[6,6]C)(O)	C[4,3x6](C[4,6,6]C[4,3x6]C[6,6a]H)2(C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O)	N[6,6](C[6,6]C[4,3x6]O)2(CCHH)	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>}	C[4,3x6](C[4,6,6]C[4,3x6]C[6,6a]H)2(C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O){1|C<4>,1|H<1>,8|C<3>}	N[6,6](C[6,6]C[4,3x6]O)2(CCHH){2|C<3>,2|C<4>}	113.5115	0.165	2	113.5115	0.027	2	113.5115	0.027	2	113.5115	0.027	2	113.5115	0.027	2	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	N[6,6]	3:4:1:	4:4:3:4:	3:3:3:	N[6,6]-3:C[4,6,6]-4:O-1:	C[4,6]-4:C[4,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](N[6,6]C[6,6]C[6a])(C[4,6,6]C[4,6]2C)(O)	C[4,6,6](C[4,6]C[4,6,6]HH)2(C[6,6]N[6,6]O)(CH3)	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2)	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>}	C[4,6,6](C[4,6]C[4,6,6]HH)2(C[6,6]N[6,6]O)(CH3){3|C<3>}	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>}	113.8300	0.000	1	113.8300	0.000	1	113.8300	0.000	1	113.8300	0.000	1	112.6016	0.413	11	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	N[6,6]	4:3:1:	4:2:3:3:	3:3:3:	C[4,6,6]-4:N[6,6]-3:O-1:	C[4,6]-4:O[4,6]-2:C[6,6]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-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)	C[4,6,6](C[4,6]C[4,6,6]HH)(O[4,6]C[4,6,6])(C[6,6]N[6,6]O)(C[6a]C[6a]2)	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2)	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>}	C[4,6,6](C[4,6]C[4,6,6]HH)(O[4,6]C[4,6,6])(C[6,6]N[6,6]O)(C[6a]C[6a]2){1|C<4>,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>}	112.2103	0.136	3	112.2103	0.018	3	112.2103	0.018	3	112.2103	0.018	3	112.6016	0.413	11	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	N[6,6]	4:3:1:	4:2:3:4:	3:3:3:	C[4,6,6]-4:N[6,6]-3:O-1:	C[4,6]-4:O[4,6]-2:C[6,6]-3:C-4:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](C[4,6,6]C[4,6]O[4,6]C)(N[6,6]C[6,6]C[6a])(O)	C[4,6,6](C[4,6]C[4,6,6]HH)(O[4,6]C[4,6,6])(C[6,6]N[6,6]O)(CCHH)	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2)	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>}	C[4,6,6](C[4,6]C[4,6,6]HH)(O[4,6]C[4,6,6])(C[6,6]N[6,6]O)(CCHH){3|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>}	112.3670	0.000	1	112.3670	0.000	1	112.6603	0.071	3	112.6603	0.071	3	112.6016	0.413	11	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	N[6,6]	4:3:1:	4:2:3:4:	3:3:3:	C[4,6,6]-4:N[6,6]-3:O-1:	C[4,6]-4:O[4,6]-2:C[6,6]-3:C-4:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](C[4,6,6]C[4,6]O[4,6]C)(N[6,6]C[6,6]C[6a])(O)	C[4,6,6](C[4,6]C[4,6,6]HH)(O[4,6]C[4,6,6])(C[6,6]N[6,6]O)(CH3)	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2)	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>}	C[4,6,6](C[4,6]C[4,6,6]HH)(O[4,6]C[4,6,6])(C[6,6]N[6,6]O)(CH3){3|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>}	112.8070	0.115	2	112.8070	0.013	2	112.6603	0.071	3	112.6603	0.071	3	112.6016	0.413	11	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	N[6,6]	4:3:1:	4:4:3:3:	3:3:3:	C[4,6,6]-4:N[6,6]-3:O-1:	C[4,6]-4:C[4,6]-4:C[6,6]-3:C[6a]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](C[4,6,6]C[4,6]2C[6a])(N[6,6]C[6,6]C[6a])(O)	C[4,6,6](C[4,6]C[4,6,6]HH)2(C[6,6]N[6,6]O)(C[6a]C[6a]2)	N[6,6](C[6,6]C[4,6,6]O)2(C[6a]C[6a]2)	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>}	C[4,6,6](C[4,6]C[4,6,6]HH)2(C[6,6]N[6,6]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	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>}	113.7450	0.000	1	113.7450	0.000	1	113.7450	0.000	1	113.7450	0.000	1	112.6016	0.413	11	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6,6]	C[4,6,6]	N[6,6]	4:3:1:	4:4:3:4:	3:3:3:	C[4,6,6]-4:N[6,6]-3:O-1:	C[4,6]-4:C[4,6]-4:C[6,6]-3:C-4:	C[6,6]-3:C[6,6]-3:N[5]-3:	C[6,6](C[4,6,6]C[4,6]2C)(N[6,6]C[6,6]N[5])(O)	C[4,6,6](C[4,6]C[4,6,6]HH)2(C[6,6]N[6,6]O)(CH3)	N[6,6](C[6,6]C[4,6,6]O)2(N[5]C[5]2)	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>}	C[4,6,6](C[4,6]C[4,6,6]HH)2(C[6,6]N[6,6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	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>}	112.1437	0.125	3	112.1437	0.016	3	112.1437	0.016	3	112.1437	0.016	3	112.6016	0.413	11	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,5,6]	N[6]	4:3:1:	4:4:3:3:	3:3:4:	C[4,5,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4,5]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[4,5,6]C[4,5]C[4,6]C[5])(N[6]C[6,6a]C)(O)	C[4,5,6](C[4,6]C[6,6a]C[4]C)(C[4,5]C[4]C[5]H)(C[5]N[5]O)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,5,6]O)(CCHH)	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>}	C[4,5,6](C[4,6]C[6,6a]C[4]C)(C[4,5]C[4]C[5]H)(C[5]N[5]O)(C[6]N[6]O){2|C<3>,2|C<4>,4|H<1>}	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>}	117.3720	0.000	1	117.3720	0.000	1	117.3720	0.000	1	117.3720	0.000	1	117.0350	0.648	3	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,5,6]	N[6]	4:3:1:	4:4:4:3:	3:3:4:	C[4,5,6]-4:N[6]-3:O-1:	C[4,5]-4:C[4,6]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[4,5,6]C[4,5]C[4,6]C[5])(N[6]C[6]C)(O)	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5]O[5]HH)(C[6]N[6]O)	N[6](C[6]C[4,5,6]O)(C[6]C[6]H)(CH3)	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>}	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5]O[5]HH)(C[6]N[6]O){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[4,5,6]O)(C[6]C[6]H)(CH3){1|H<1>,3|C<4>}	117.6170	0.000	1	117.6170	0.000	1	117.6170	0.000	1	117.6170	0.000	1	117.0350	0.648	3	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,5,6]	N[6]	4:3:1:	4:4:4:3:	3:4:1:	C[4,5,6]-4:N[6]-3:O-1:	C[4,5,6]-4:C[4,6]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(N[6]C[6]H)(O)	C[4,5,6](C[4,5,6]C[4,6]C[5]N[6])(C[4,6]C[4,6]C[6]H)(C[5]O[5]HH)(C[6]N[6]O)	N[6](C[6]C[4,5,6]O)(C[6]C[6]HH)(H)	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>}	C[4,5,6](C[4,5,6]C[4,6]C[5]N[6])(C[4,6]C[4,6]C[6]H)(C[5]O[5]HH)(C[6]N[6]O){1|C<3>,3|C<4>,6|H<1>}	N[6](C[6]C[4,5,6]O)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	116.1160	0.000	1	116.1160	0.000	1	116.1160	0.000	1	116.1160	0.000	1	117.0350	0.648	3	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6,6]	N[6]	4:3:1:	3:4:3:3:	3:3:4:	C[4,6,6]-4:N[6]-3:O-1:	C[6,6,6a]-3:C[4,6]-4:C[4]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[4,6,6]C[6,6,6a]C[4,6]C[4])(N[6]C[6]C)(O)	C[4,6,6](C[6,6,6a]C[6,6a]2)(C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]N[6]O)	N[6](C[6]C[4,6,6]O)(C[6]C[6,6a]O)(CH3)	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>}	C[4,6,6](C[6,6,6a]C[6,6a]2)(C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]N[6]O){1|C<4>,2|H<1>,6|C<3>}	N[6](C[6]C[4,6,6]O)(C[6]C[6,6a]O)(CH3){1|C<4>,3|C<3>}	116.5070	0.122	2	116.5923	0.029	3	116.5923	0.029	3	116.5923	0.029	3	114.5153	7.975	7	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6,6]	N[6]	4:3:1:	3:4:3:3:	3:3:4:	C[4,6,6]-4:N[6]-3:O-1:	C[6,6,6a]-3:C[4,6]-4:C[4]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[4,6,6]C[6,6,6a]C[4,6]C[4])(N[6]C[6]C)(O)	C[4,6,6](C[6,6,6a]C[6,6a]2)(C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]N[6]O)	N[6](C[6]C[4,6,6]O)(C[6]C[6,6a]O)(CH3)	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>}	C[4,6,6](C[6,6,6a]C[6,6a]2)(C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]N[6]O){1|H<1>,2|C<4>,6|C<3>}	N[6](C[6]C[4,6,6]O)(C[6]C[6,6a]O)(CH3){1|C<4>,3|C<3>}	116.7630	0.000	1	116.5923	0.029	3	116.5923	0.029	3	116.5923	0.029	3	114.5153	7.975	7	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6,6]	N[6]	4:3:1:	4:3:3:3:	3:3:4:	C[4,6,6]-4:N[6]-3:O-1:	C[4,6]-4:C[6,6,6a]-3:C[4]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[4,6,6]C[6,6,6a]C[4,6]C[4])(N[6]C[6]C)(O)	C[4,6,6](C[4,6]C[3,6]C[4]H)(C[6,6,6a]C[6,6a]2)(C[4]C[6a]C[4])(C[6]N[6]O)	N[6](C[6]C[4,6,6]O)(C[6]C[6,6a]O)(CH3)	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>}	C[4,6,6](C[4,6]C[3,6]C[4]H)(C[6,6,6a]C[6,6a]2)(C[4]C[6a]C[4])(C[6]N[6]O){1|O<2>,2|C<4>,2|H<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>}	116.3690	0.000	1	116.3690	0.000	1	116.3690	0.000	1	116.3690	0.000	1	114.5153	7.975	7	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6,6]	N[6]	4:3:1:	4:4:3:2:	3:3:4:	C[4,6,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:O[6]-2:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[4,6,6]C[4,6]2O[6])(N[6]C[6a]C[6])(O)	C[4,6,6](C[4,6]C[4]C[6]H)2(C[6]N[6]O)(O[6]C[6])	N[6](C[6]C[4,6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	C[4,6,6](C[4,6]C[4]C[6]H)2(C[6]N[6]O)(O[6]C[6]){1|C<3>,1|O<1>,4|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>}	111.8203	2.193	3	111.8203	4.811	3	111.8203	4.811	3	111.8203	4.811	3	114.5153	7.975	7	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:	2:4:4:3:	3:3:4:	C[4,6]-4:N[6]-3:O-1:	O[6]-2:C[4]-4:C[4]-4:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6](C[4,6]C[4]2O[6])(N[6]C[6,6a]C[6])(O)	C[4,6](O[6]C[6,6a])(C[4]C[4]HH)2(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(C[6]C[6]2H)	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>}	C[4,6](O[6]C[6,6a])(C[4]C[4]HH)2(C[6]N[6]O){1|C<4>,2|C<3>,2|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>}	116.1920	0.000	1	116.1920	0.000	1	116.1920	0.000	1	116.1920	0.000	1	116.8278	3.280	41	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:	3:3:3:3:	3:3:4:	C[4,6]-4:N[6]-3:O-1:	N[4,6]-3:C[6a]-3:C[4]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[4,6]N[4,6]C[6a]C[4])(N[6]C[6]C)(O)	C[4,6](N[4,6]C[4]C[6])(C[6a]C[6a]2)(C[4]C[4]C)(C[6]N[6]O)	N[6](C[6]C[4,6]O)(C[6]C[6]H)(CC[6a]HH)	C[6](C[4,6]N[4,6]C[6a]C[4])(N[6]C[6]C)(O){1|H<1>,5|C<3>}	C[4,6](N[4,6]C[4]C[6])(C[6a]C[6a]2)(C[4]C[4]C)(C[6]N[6]O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	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>}	116.1270	0.000	1	116.1270	0.000	1	116.1270	0.000	1	116.1270	0.000	1	116.8278	3.280	41	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:	3:4:2:3:	3:3:4:	C[4,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[4,5]-4:O[4]-2:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[4,6]C[6,6a]C[4,5]O[4])(N[6]C[6]C)(O)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]N[5]C)(O[4]C[4,5])(C[6]N[6]O)	N[6](C[6]C[6,6a]O)(C[6]C[4,6]O)(CH3)	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>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]N[5]C)(O[4]C[4,5])(C[6]N[6]O){1|C<4>,1|H<1>,2|O<2>,4|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>}	115.3792	0.816	5	115.3792	0.666	5	115.3792	0.666	5	115.3792	0.666	5	116.8278	3.280	41	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:	4:3:2:4:	3:3:4:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[6]-3:O[4]-2:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[4,6]C[4,6]O[4]C)(N[6]C[6]C)(O)	C[4,6](C[4,6]C[4]N[6]H)(C[6]N[6]O)(O[4]C[4])(CH3)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	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>}	C[4,6](C[4,6]C[4]N[6]H)(C[6]N[6]O)(O[4]C[4])(CH3){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){1|O<2>,3|C<4>}	117.7820	0.000	1	117.7820	0.000	1	117.7820	0.000	1	117.7820	0.000	1	116.8278	3.280	41	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:	4:4:3:1:	3:3:1:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[4,6]C[4,6]C[4]F)(N[6]C[6]H)(O)	C[4,6](C[4,6]C[4]N[6]H)(C[4]C[6a]C[4]H)(C[6]N[6]O)(F)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(H)	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>}	C[4,6](C[4,6]C[4]N[6]H)(C[4]C[6a]C[4]H)(C[6]N[6]O)(F){1|N<2>,3|C<3>,3|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>}	115.3330	0.471	2	115.3330	0.222	2	115.3330	0.222	2	115.7377	0.602	3	116.8278	3.280	41	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:	4:4:3:1:	3:3:1:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]H)(O)	C[4,6](C[4,6]C[6,6a]C[4]O)(C[4]C[4]HH)(C[6]N[6]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(H)	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>}	C[4,6](C[4,6]C[6,6a]C[4]O)(C[4]C[4]HH)(C[6]N[6]O)(H){1|C<4>,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>}	116.5470	0.000	1	116.5470	0.000	1	116.5470	0.000	1	115.7377	0.602	3	116.8278	3.280	41	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:	4:4:3:1:	3:3:4:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[4,6]C[4,6]2H)(N[6]C[6]C)(O)	C[4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]N[6]C)(C[6]N[6]O)(H)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	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>}	C[4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]N[6]C)(C[6]N[6]O)(H){1|C<3>,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>}	116.5344	0.782	8	116.5344	0.612	8	116.3623	0.435	13	116.3623	0.435	13	116.8278	3.280	41	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:	4:4:3:1:	3:3:4:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[4,6]C[4,6]2H)(N[6]C[6]C)(O)	C[4,6](C[4,6]C[4,6]N[6]C)2(C[6]N[6]O)(H)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	C[6](C[4,6]C[4,6]2H)(N[6]C[6]C)(O){1|O<1>,2|N<3>,3|C<4>}	C[4,6](C[4,6]C[4,6]N[6]C)2(C[6]N[6]O)(H){1|H<1>,3|C<3>,3|C<4>}	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){1|H<1>,3|C<4>}	116.1983	0.156	4	116.0870	0.080	5	116.3623	0.435	13	116.3623	0.435	13	116.8278	3.280	41	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:	4:4:3:1:	3:3:4:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[4,6]C[4,6]2H)(N[6]C[6]C)(O)	C[4,6](C[4,6]C[4,6]N[6]C)2(C[6]N[6]O)(H)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	C[6](C[4,6]C[4,6]2H)(N[6]C[6]C)(O){1|O<1>,2|N<3>,3|C<4>}	C[4,6](C[4,6]C[4,6]N[6]C)2(C[6]N[6]O)(H){3|C<3>,4|C<4>}	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){1|H<1>,3|C<4>}	115.6420	0.000	1	116.0870	0.080	5	116.3623	0.435	13	116.3623	0.435	13	116.8278	3.280	41	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:	4:4:3:1:	3:4:4:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]C)(O)	C[4,6](C[4,6]C[6]N[4]H)(C[4]N[4]CH)(C[6]N[6]O)(H)	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(CCHH)	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>}	C[4,6](C[4,6]C[6]N[4]H)(C[4]N[4]CH)(C[6]N[6]O)(H){1|Cl<1>,2|H<1>,3|C<4>}	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(CCHH){1|Cl<1>,2|C<4>,2|H<1>}	117.3420	0.000	1	117.3420	0.000	1	117.3420	0.000	1	117.3420	0.000	1	116.8278	3.280	41	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:	4:4:3:2:	3:3:1:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4,5]-4:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[4,6]C[4,5]C[4,6]O)(N[6]C[6,6a]H)(O)	C[4,6](C[4,6]C[6,6a]C[4,5]H)(C[4,5]C[4,5]C[5]H)(C[6]N[6]O)(OC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(H)	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>}	C[4,6](C[4,6]C[6,6a]C[4,5]H)(C[4,5]C[4,5]C[5]H)(C[6]N[6]O)(OC){1|N<3>,1|O<1>,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>}	117.7950	0.000	1	117.7950	0.000	1	117.7950	0.000	1	117.7950	0.000	1	116.8278	3.280	41	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:	4:4:3:3:	3:3:4:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[4,6]C[4,6]C[4]C)(N[6]C[6,6a]C)(O)	C[4,6](C[4,6]C[6,6a]C[4]C)(C[4]C[4]HH)(C[6]N[6]O)(CNO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CCHH)	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>}	C[4,6](C[4,6]C[6,6a]C[4]C)(C[4]C[4]HH)(C[6]N[6]O)(CNO){1|C<2>,2|C<3>,2|C<4>}	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>}	119.5560	0.000	1	119.8780	0.207	2	119.8780	0.207	2	119.8780	0.207	2	116.8278	3.280	41	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:	4:4:3:3:	3:3:4:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[4,6]C[4,6]C[4]C)(N[6]C[6,6a]C)(O)	C[4,6](C[4,6]C[6,6a]C[4]C)(C[4]C[4]HH)(C[6]N[6]O)(CNO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CCHH)	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>}	C[4,6](C[4,6]C[6,6a]C[4]C)(C[4]C[4]HH)(C[6]N[6]O)(CNO){1|O<2>,2|C<3>,2|C<4>}	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>}	120.2000	0.000	1	119.8780	0.207	2	119.8780	0.207	2	119.8780	0.207	2	116.8278	3.280	41	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:	4:4:3:3:	3:4:1:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[4,6]C[4,6]C[4]N[6])(N[6]C[6]H)(O)	C[4,6](C[4,6]C[4]C[6]N[6])(C[4]C[5a]C[4]H)(C[6]N[6]O)(N[6]C[6]H)	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(H)	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>}	C[4,6](C[4,6]C[4]C[6]N[6])(C[4]C[5a]C[4]H)(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<4>}	115.8940	0.000	1	115.8940	0.000	1	115.8940	0.000	1	115.8940	0.000	1	116.8278	3.280	41	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:	4:4:3:4:	3:3:1:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[4,6]C[4,6]2C)(N[6]C[6]H)(O)	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]N[6]H)(C[6]N[6]O)(CN[5a]HH)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(H)	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>}	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]N[6]H)(C[6]N[6]O)(CN[5a]HH){1|C<3>,1|O<1>,2|N<3>,3|H<1>}	N[6](C[6]C[4,6]O)(C[6]N[6]O)(H){1|H<1>,3|C<4>}	116.5760	0.549	2	116.5760	0.301	2	116.5760	0.301	2	116.5760	0.301	2	116.8278	3.280	41	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:	4:4:3:4:	3:3:4:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[4,6]C[4,6]2C)(N[6]C[6]C)(O)	C[4,6](C[4,6]C[4,6]N[6]C)2(C[6]N[6]O)(CH3)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	C[6](C[4,6]C[4,6]2C)(N[6]C[6]C)(O){1|O<1>,2|N<3>,3|C<4>}	C[4,6](C[4,6]C[4,6]N[6]C)2(C[6]N[6]O)(CH3){1|H<1>,3|C<3>,3|C<4>}	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){4|C<4>}	117.3480	0.000	1	117.3480	0.000	1	117.3480	0.000	1	117.0414	8.738	7	116.8278	3.280	41	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:	4:4:3:4:	3:3:4:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[4,6]C[4,6]C[4]C)(N[6]C[6,6a]C)(O)	C[4,6](C[4,6]C[6,6a]C[3,4]C[6a])(C[4]C[3,4]HH)(C[6]N[6]O)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CH3)	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>}	C[4,6](C[4,6]C[6,6a]C[3,4]C[6a])(C[4]C[3,4]HH)(C[6]N[6]O)(CH3){3|C<4>,4|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>}	115.4580	6.662	2	115.4580	44.387	2	116.7422	17.118	4	117.0414	8.738	7	116.8278	3.280	41	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:	4:4:3:4:	3:3:4:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[4,6]C[4,6]C[4]C)(N[6]C[6,6a]C)(O)	C[4,6](C[4,6]C[6,6a]C[4]C)(C[4]C[4]HH)(C[6]N[6]O)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(CH3)	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>}	C[4,6](C[4,6]C[6,6a]C[4]C)(C[4]C[4]HH)(C[6]N[6]O)(CH3){1|C<2>,2|C<3>,2|C<4>}	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>}	118.0265	0.607	2	118.0265	0.369	2	116.7422	17.118	4	117.0414	8.738	7	116.8278	3.280	41	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:	4:4:3:4:	3:3:4:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[4,6]C[4,6]C[4]C)(N[6]C[6]C)(O)	C[4,6](C[4,6]N[6]O[4]C)(C[4]C[6a]2O[4])(C[6]N[6]O)(CH3)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	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>}	C[4,6](C[4,6]N[6]O[4]C)(C[4]C[6a]2O[4])(C[6]N[6]O)(CH3){2|C<4>,5|C<3>}	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){4|C<4>}	117.1500	0.000	1	117.1500	0.000	1	117.4865	0.226	2	117.0414	8.738	7	116.8278	3.280	41	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:1:	4:4:3:4:	3:3:4:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[4,6]C[4,6]C[4]C)(N[6]C[6]C)(O)	C[4,6](C[4,6]N[6]O[4]H)(C[4]C[6a]2O[4])(C[6]N[6]O)(CH3)	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3)	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>}	C[4,6](C[4,6]N[6]O[4]H)(C[4]C[6a]2O[4])(C[6]N[6]O)(CH3){2|C<4>,5|C<3>}	N[6](C[6]C[4,6]O)(C[6]N[6]O)(CH3){4|C<4>}	117.8230	0.000	1	117.8230	0.000	1	117.4865	0.226	2	117.0414	8.738	7	116.8278	3.280	41	115.7546	5.822	64
762	478	856	6:SP2_SP2_SP3	C[6]	C[4,6]	N[6]	4:3:4:	4:4:3:1:	3:4:4:	C[4,6]-4:N[6]-3:C-4:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:B[6]-4:C-4:	C[6](C[4,6]C[4,6]2H)(N[6]B[6]C)(CH3)	C[4,6](C[4,6]C[4,6]C[6a]O[6])2(C[6]N[6]C)(H)	N[6](C[6]C[4,6]C)(B[6]O[6]FF)(CH3)	C[6](C[4,6]C[4,6]2H)(N[6]B[6]C)(CH3){1|C<4>,2|C<3>,2|F<1>,2|O<2>}	C[4,6](C[4,6]C[4,6]C[6a]O[6])2(C[6]N[6]C)(H){1|C<4>,1|H<1>,2|B<4>,5|C<3>}	N[6](C[6]C[4,6]C)(B[6]O[6]FF)(CH3){1|H<1>,2|C<4>}	119.9307	0.497	3	119.9307	0.247	3	119.9307	0.247	3	119.9307	0.247	3	116.8278	3.280	41	115.7546	5.822	64
762	478	863	0:SP2_SP2_SP3	C[3x6]	C[4,3x6]	O	4:4:1:	4:4:3:1:	3:	C[4,3x6]-4:C[4x6]-4:O-1:	C[4,3x6]-4:C[4,6]-4:C[3x6]-3:F-1:	C[3x6]-3:	C[3x6](C[4,3x6]C[4,3x6]C[4,6]F)(C[4x6]C[3x6]C[6,6]F)(O)	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]F)(C[4,6]C[4,3x6]HH)(C[3x6]C[4x6]O)(F)	O(C[3x6]C[4,3x6]C[4x6])	C[3x6](C[4,3x6]C[4,3x6]C[4,6]F)(C[4x6]C[3x6]C[6,6]F)(O){1|C<3>,1|C<4>,2|F<1>,4|H<1>}	C[4,3x6](C[4,3x6]C[4,3x6]C[6,6]F)(C[4,6]C[4,3x6]HH)(C[3x6]C[4x6]O)(F){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	O(C[3x6]C[4,3x6]C[4x6])	125.3480	0.000	1	125.3480	0.000	1	125.3480	0.000	1	125.3480	0.000	1	125.3480	0.000	1	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6,6]	C[4,3x6]	O	4:3:1:	4:4:3:3:	3:	C[4,3x6]-4:N[6,6]-3:O-1:	C[4,6,6]-4:C[4,6,6]-4:C[6,6a]-3:C[6,6]-3:	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)	C[4,3x6](C[4,6,6]C[4,3x6]C[6,6a]H)2(C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O)	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>}	C[4,3x6](C[4,6,6]C[4,3x6]C[6,6a]H)2(C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O){1|C<4>,1|H<1>,8|C<3>}	O(C[6,6]C[4,3x6]N[6,6])	125.6135	0.021	2	125.6135	0.000	2	125.6135	0.000	2	125.6135	0.000	2	124.9338	0.633	4	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6,6]	C[4,3x6]	O	4:4:1:	4:4:3:1:	3:	C[4,3x6]-4:C[6,6]-4:O-1:	C[4,4,3x6]-4:C[4,5x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[4,3x6]C[4,4,3x6]C[4,5x6]H)(C[6,6]C[6x6]OO)(O)	C[4,3x6](C[4,4,3x6]C[4,4,3x6]C[4,5x6]H)(C[4,5x6]C[4,4,3x6]C[6x6]C)(C[6,6]C[6,6]O)(H)	O(C[6,6]C[4,3x6]C[6,6])	C[6,6](C[4,3x6]C[4,4,3x6]C[4,5x6]H)(C[6,6]C[6x6]OO)(O){1|C<3>,2|H<1>,3|C<4>}	C[4,3x6](C[4,4,3x6]C[4,4,3x6]C[4,5x6]H)(C[4,5x6]C[4,4,3x6]C[6x6]C)(C[6,6]C[6,6]O)(H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O(C[6,6]C[4,3x6]C[6,6])	124.2540	0.225	2	124.2540	0.051	2	124.2540	0.051	2	124.2540	0.051	2	124.9338	0.633	4	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6,6]	C[4,6,6]	O	3:4:1:	4:4:3:1:	3:	C[6,6,6a]-3:C[4,6,6]-4:O-1:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(O)	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6,6a]O)(H)	O(C[6,6]C[6,6,6a]C[4,6,6])	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(O){1|C<4>,3|C<3>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]C[6a]H)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6,6a]O)(H){1|H<1>,4|C<3>}	O(C[6,6]C[6,6,6a]C[4,6,6])	122.5060	0.000	1	122.5060	0.000	1	122.5060	0.000	1	122.5060	0.000	1	124.6055	3.245	19	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6,6]	C[4,6,6]	O	3:4:1:	4:4:3:3:	3:	C[6,6,6a]-3:C[4,6,6]-4:O-1:	C[4,6]-4:C[4,6]-4:C[6,6]-3:C[6a]-3:	C[6,6]-3:	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2C[6a])(O)	C[4,6,6](C[4,6]C[4,6,6]HH)2(C[6,6]C[6,6,6a]O)(C[6a]C[6a]2)	O(C[6,6]C[6,6,6a]C[4,6,6])	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2C[6a])(O){1|C<4>,4|C<3>,5|H<1>}	C[4,6,6](C[4,6]C[4,6,6]HH)2(C[6,6]C[6,6,6a]O)(C[6a]C[6a]2){3|H<1>,4|C<3>}	O(C[6,6]C[6,6,6a]C[4,6,6])	123.0420	0.000	1	123.0420	0.000	1	123.0420	0.000	1	123.0420	0.000	1	124.6055	3.245	19	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6,6]	C[4,6,6]	O	3:4:1:	4:4:3:4:	3:	N[6,6]-3:C[4,6,6]-4:O-1:	C[4,6]-4:C[4,6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](N[6,6]C[6,6]C[6a])(C[4,6,6]C[4,6]2C)(O)	C[4,6,6](C[4,6]C[4,6,6]HH)2(C[6,6]N[6,6]O)(CH3)	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>}	C[4,6,6](C[4,6]C[4,6,6]HH)2(C[6,6]N[6,6]O)(CH3){3|C<3>}	O(C[6,6]C[4,6,6]N[6,6])	125.0630	0.000	1	125.0630	0.000	1	125.0630	0.000	1	125.0630	0.000	1	124.6055	3.245	19	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6,6]	C[4,6,6]	O	4:3:1:	4:2:3:3:	3:	C[4,6,6]-4:N[6,6]-3:O-1:	C[4,6]-4:O[4,6]-2: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)	C[4,6,6](C[4,6]C[4,6,6]HH)(O[4,6]C[4,6,6])(C[6,6]N[6,6]O)(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>}	C[4,6,6](C[4,6]C[4,6,6]HH)(O[4,6]C[4,6,6])(C[6,6]N[6,6]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	O(C[6,6]C[4,6,6]N[6,6])	125.1690	0.231	3	125.1690	0.053	3	125.1690	0.053	3	125.1690	0.053	3	124.6055	3.245	19	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6,6]	C[4,6,6]	O	4:3:1:	4:2:3:4:	3:	C[4,6,6]-4:N[6,6]-3:O-1:	C[4,6]-4:O[4,6]-2:C[6,6]-3:C-4:	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)	C[4,6,6](C[4,6]C[4,6,6]HH)(O[4,6]C[4,6,6])(C[6,6]N[6,6]O)(CCHH)	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>}	C[4,6,6](C[4,6]C[4,6,6]HH)(O[4,6]C[4,6,6])(C[6,6]N[6,6]O)(CCHH){3|C<3>}	O(C[6,6]C[4,6,6]N[6,6])	125.2850	0.000	1	125.2850	0.000	1	125.0160	0.059	3	125.0160	0.059	3	124.6055	3.245	19	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6,6]	C[4,6,6]	O	4:3:1:	4:2:3:4:	3:	C[4,6,6]-4:N[6,6]-3:O-1:	C[4,6]-4:O[4,6]-2:C[6,6]-3:C-4:	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)	C[4,6,6](C[4,6]C[4,6,6]HH)(O[4,6]C[4,6,6])(C[6,6]N[6,6]O)(CH3)	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>}	C[4,6,6](C[4,6]C[4,6,6]HH)(O[4,6]C[4,6,6])(C[6,6]N[6,6]O)(CH3){3|C<3>}	O(C[6,6]C[4,6,6]N[6,6])	124.8815	0.094	2	124.8815	0.009	2	125.0160	0.059	3	125.0160	0.059	3	124.6055	3.245	19	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6,6]	C[4,6,6]	O	4:3:1:	4:4:3:1:	3:	C[4,6,6]-4:C[6,6]-3:O-1:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(O)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]O)(H)	O(C[6,6]C[4,6,6]C[6,6])	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(O){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6,6]C[4,6,6]C[6,6])	121.6105	1.600	2	121.6105	2.561	2	121.6105	2.561	2	121.6105	2.561	2	124.6055	3.245	19	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6,6]	C[4,6,6]	O	4:3:1:	4:4:3:3:	3:	C[4,6,6]-4:N[6,6]-3:O-1:	C[4,6]-4:C[4,6]-4: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)	C[4,6,6](C[4,6]C[4,6,6]HH)2(C[6,6]N[6,6]O)(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>}	C[4,6,6](C[4,6]C[4,6,6]HH)2(C[6,6]N[6,6]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	O(C[6,6]C[4,6,6]N[6,6])	125.0820	0.000	1	125.0820	0.000	1	125.0820	0.000	1	125.0820	0.000	1	124.6055	3.245	19	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6,6]	C[4,6,6]	O	4:3:1:	4:4:3:4:	3:	C[4,6,6]-4:N[6,6]-3:O-1:	C[4,6]-4:C[4,6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[4,6,6]C[4,6]2C)(N[6,6]C[6,6]N[5])(O)	C[4,6,6](C[4,6]C[4,6,6]HH)2(C[6,6]N[6,6]O)(CH3)	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>}	C[4,6,6](C[4,6]C[4,6,6]HH)2(C[6,6]N[6,6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	O(C[6,6]C[4,6,6]N[6,6])	126.9930	0.175	4	126.9930	0.031	4	126.9930	0.031	4	126.9930	0.031	4	124.6055	3.245	19	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6,6]	C[4,6,6]	O	4:4:1:	4:4:3:1:	3:	C[4,6,6]-4:C[6,6]-4:O-1:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6]2C)(O)	C[4,6,6](C[4,6]C[6a]C[4]C[6])(C[4,6]C[4]C[6]H)(C[6,6]C[6,6]O)(H)	O(C[6,6]C[4,6,6]C[6,6])	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6]2C)(O){1|C<3>,3|C<4>,5|H<1>}	C[4,6,6](C[4,6]C[6a]C[4]C[6])(C[4,6]C[4]C[6]H)(C[6,6]C[6,6]O)(H){2|C<4>,3|C<3>,6|H<1>}	O(C[6,6]C[4,6,6]C[6,6])	124.1460	0.000	1	124.1460	0.000	1	124.1460	0.000	1	123.3543	0.671	3	124.6055	3.245	19	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6,6]	C[4,6,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6,6]-4:C[4,6,6]-4:O-1:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[4,6,6]C[4,6]2H)(O)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[5,6,6]O)(H)	O(C[6,6]C[4,6,6]C[5,6,6])	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[4,6,6]C[4,6]2H)(O){3|H<1>,7|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[5,6,6]O)(H){2|C<4>,2|H<1>}	O(C[6,6]C[4,6,6]C[5,6,6])	122.5100	0.000	1	122.5100	0.000	1	122.9585	0.402	2	123.3543	0.671	3	124.6055	3.245	19	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6,6]	C[4,6,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6,6]-4:C[4,6,6]-4:O-1:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[5,6,6]C[6,6]O[5]2)(C[4,6,6]C[4,6]2H)(O)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[5,6,6]O)(H)	O(C[6,6]C[4,6,6]C[5,6,6])	C[6,6](C[5,6,6]C[6,6]O[5]2)(C[4,6,6]C[4,6]2H)(O){4|H<1>,5|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[5,6,6]O)(H){1|C<4>,1|H<1>,2|O<2>}	O(C[6,6]C[4,6,6]C[5,6,6])	123.4070	0.000	1	123.4070	0.000	1	122.9585	0.402	2	123.3543	0.671	3	124.6055	3.245	19	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,3x6]	O	4:3:1:	4:4:4:3:	3:	C[4,3x6]-4:C[6,6a]-3:O-1:	C[4,3x6]-4:C[3,4]-4:C[3x6]-4:C[6]-3:	C[6]-3:	C[6](C[4,3x6]C[4,3x6]C[3,4]C[3x6])(C[6,6a]C[6,6a]C[6a])(O)	C[4,3x6](C[4,3x6]C[3,4]C[3x6]C[6])(C[3,4]C[3,4]C[3]2)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O)	O(C[6]C[4,3x6]C[6,6a])	C[6](C[4,3x6]C[4,3x6]C[3,4]C[3x6])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,4|C<3>,5|C<4>}	C[4,3x6](C[4,3x6]C[3,4]C[3x6]C[6])(C[3,4]C[3,4]C[3]2)(C[3x6]C[6,6]2H)(C[6]C[6,6a]O){1|O<1>,3|C<3>,3|C<4>,8|H<1>}	O(C[6]C[4,3x6]C[6,6a])	120.6335	0.114	2	120.6335	0.013	2	120.6335	0.013	2	120.6335	0.013	2	120.6335	0.013	2	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,5,5,6,6]	O	4:2:1:	4:4:4:3:	3:	C[4,5,5,6,6]-4:O[6]-2:O-1:	C[4,5,5,6,6]-4:C[4,5,6]-4:C[5,5,6]-4:C[6]-3:	C[6]-3:	C[6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[5,5,6])(O[6]C[6,6])(O)	C[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5,6]C[5,6]C[6])(C[4,5,6]C[4,3x5,6]O[6]H)(C[5,5,6]C[3x5,6]HH)(C[6]O[6]O)	O(C[6]C[4,5,5,6,6]O[6])	C[6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,5,6]C[5,5,6])(O[6]C[6,6])(O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[4,5,5,6,6](C[4,5,5,6,6]C[4,3x5,6]C[5,6]C[6])(C[4,5,6]C[4,3x5,6]O[6]H)(C[5,5,6]C[3x5,6]HH)(C[6]O[6]O){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[4,5,5,6,6]O[6])	125.2240	0.000	1	125.2240	0.000	1	125.2240	0.000	1	125.2240	0.000	1	125.2240	0.000	1	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,5,5,6]	O	4:4:1:	4:4:4:3:	3:	C[4,5,5,6]-4:C[6]-4:O-1:	C[4,5,6]-4:C[4,5]-4:C[5,5]-4:C[6]-3:	C[6]-3:	C[6](C[4,5,5,6]C[4,5,6]C[4,5]C[5,5])(C[6]C[6]HH)(O)	C[4,5,5,6](C[4,5,6]C[4,5,5]C[6]H)(C[4,5]C[4,5,5]CH)(C[5,5]C[5,5]HH)(C[6]C[6]O)	O(C[6]C[4,5,5,6]C[6])	C[6](C[4,5,5,6]C[4,5,6]C[4,5]C[5,5])(C[6]C[6]HH)(O){1|C<2>,3|C<4>,6|H<1>}	C[4,5,5,6](C[4,5,6]C[4,5,5]C[6]H)(C[4,5]C[4,5,5]CH)(C[5,5]C[5,5]HH)(C[6]C[6]O){1|C<4>,7|H<1>}	O(C[6]C[4,5,5,6]C[6])	121.6370	0.000	1	121.6370	0.000	1	121.6370	0.000	1	121.6370	0.000	1	121.6370	0.000	1	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,5,6]	O	4:3:1:	4:4:3:2:	3:	C[4,5,6]-4:C[6,6a]-3:O-1:	C[4,5,6]-4:C[3,4]-4:C[6]-3:O[5]-2:	C[6]-3:	C[6](C[4,5,6]C[4,5,6]C[3,4]O[5])(C[6,6a]C[6,6a]C[6a])(O)	C[4,5,6](C[4,5,6]C[3,4]C[5]C[6])(C[3,4]C[3,4]C[3]2)(C[6]C[6,6a]O)(O[5]C[5])	O(C[6]C[4,5,6]C[6,6a])	C[6](C[4,5,6]C[4,5,6]C[3,4]O[5])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,3|C<4>,5|C<3>}	C[4,5,6](C[4,5,6]C[3,4]C[5]C[6])(C[3,4]C[3,4]C[3]2)(C[6]C[6,6a]O)(O[5]C[5]){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	O(C[6]C[4,5,6]C[6,6a])	120.4970	0.000	1	120.4970	0.000	1	120.4970	0.000	1	120.4970	0.000	1	120.6062	1.377	9	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,5,6]	O	4:3:1:	4:4:3:3:	3:	C[4,5,6]-4:C[6,6a]-3:O-1:	C[4,5,6]-4:C[3,4]-4:C[6]-3:C[5]-3:	C[6]-3:	C[6](C[4,5,6]C[4,5,6]C[3,4]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[4,5,6](C[4,5,6]C[3,4]C[6]O[5])(C[3,4]C[3,4]C[3]2)(C[6]C[6,6a]O)(C[5]C[5]C)	O(C[6]C[4,5,6]C[6,6a])	C[6](C[4,5,6]C[4,5,6]C[3,4]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[4,5,6](C[4,5,6]C[3,4]C[6]O[5])(C[3,4]C[3,4]C[3]2)(C[6]C[6,6a]O)(C[5]C[5]C){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[4,5,6]C[6,6a])	122.6890	0.000	1	122.6890	0.000	1	122.6890	0.000	1	121.6765	2.050	2	120.6062	1.377	9	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,5,6]	O	4:3:1:	4:4:3:3:	3:	C[4,5,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4,5]-4:C[5]-3:C[6]-3:	C[6]-3:	C[6](C[4,5,6]C[4,5]C[4,6]C[5])(N[6]C[6,6a]C)(O)	C[4,5,6](C[4,6]C[6,6a]C[4]C)(C[4,5]C[4]C[5]H)(C[5]N[5]O)(C[6]N[6]O)	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>}	C[4,5,6](C[4,6]C[6,6a]C[4]C)(C[4,5]C[4]C[5]H)(C[5]N[5]O)(C[6]N[6]O){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[4,5,6]N[6])	120.6640	0.000	1	120.6640	0.000	1	120.6640	0.000	1	121.6765	2.050	2	120.6062	1.377	9	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,5,6]	O	4:3:1:	4:4:4:3:	3:	C[4,5,6]-4:C[6]-3:O-1:	C[4,5]-4:C[4,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[4,5,6]C[4,5]C[4,6]C[5])(C[6]C[6]H)(O)	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5]C[5]HO)(C[6]C[6]O)	O(C[6]C[4,5,6]C[6])	C[6](C[4,5,6]C[4,5]C[4,6]C[5])(C[6]C[6]H)(O){1|O<2>,4|C<4>,5|H<1>}	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5]C[5]HO)(C[6]C[6]O){1|C<4>,9|H<1>}	O(C[6]C[4,5,6]C[6])	119.0160	0.000	1	119.0160	0.000	1	119.0160	0.000	1	120.4683	1.585	3	120.6062	1.377	9	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,5,6]	O	4:3:1:	4:4:4:3:	3:	C[4,5,6]-4:N[6]-3:O-1:	C[4,5,6]-4:C[4,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(N[6]C[6]H)(O)	C[4,5,6](C[4,5,6]C[4,6]C[5]N[6])(C[4,6]C[4,6]C[6]H)(C[5]O[5]HH)(C[6]N[6]O)	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>}	C[4,5,6](C[4,5,6]C[4,6]C[5]N[6])(C[4,6]C[4,6]C[6]H)(C[5]O[5]HH)(C[6]N[6]O){1|C<3>,3|C<4>,6|H<1>}	O(C[6]C[4,5,6]N[6])	121.2480	0.000	1	121.2480	0.000	1	121.2480	0.000	1	120.4683	1.585	3	120.6062	1.377	9	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,5,6]	O	4:3:1:	4:4:4:3:	3:	C[4,5,6]-4:N[6]-3:O-1:	C[4,5]-4:C[4,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[4,5,6]C[4,5]C[4,6]C[5])(N[6]C[6]C)(O)	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5]O[5]HH)(C[6]N[6]O)	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>}	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5]O[5]HH)(C[6]N[6]O){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[4,5,6]N[6])	121.1410	0.000	1	121.1410	0.000	1	121.1410	0.000	1	120.4683	1.585	3	120.6062	1.377	9	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,5,6]	O	4:4:1:	4:3:4:2:	3:	C[4,5,6]-4:C[3,6]-4:O-1:	C[4,5,6]-4:C[6]-3:C[4]-4:O[5]-2:	C[6]-3:	C[6](C[4,5,6]C[4,5,6]C[4]O[5])(C[3,6]C[3]2C[6])(O)	C[4,5,6](C[4,5,6]C[4]C[5]C[6])(C[6]C[3,6]O)(C[4]C[4]HH)(O[5]C[5])	O(C[6]C[4,5,6]C[3,6])	C[6](C[4,5,6]C[4,5,6]C[4]O[5])(C[3,6]C[3]2C[6])(O){1|C<4>,4|C<3>,6|H<1>}	C[4,5,6](C[4,5,6]C[4]C[5]C[6])(C[6]C[3,6]O)(C[4]C[4]HH)(O[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	O(C[6]C[4,5,6]C[3,6])	121.0060	0.000	1	121.0060	0.000	1	121.0060	0.000	1	121.0060	0.000	1	120.6062	1.377	9	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,5,6]	O	4:4:1:	4:3:4:3:	3:	C[4,5,6]-4:C[6]-4:O-1:	C[4,5,6,6]-4:C[5,6a]-3:C[4]-4:C[6]-3:	C[6]-3:	C[6](C[4,5,6]C[4,5,6,6]C[5,6a]C[4])(C[6]C[6]HH)(O)	C[4,5,6](C[4,5,6,6]C[4,6]N[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[4]C[4,6]HH)(C[6]C[6]O)	O(C[6]C[4,5,6]C[6])	C[6](C[4,5,6]C[4,5,6,6]C[5,6a]C[4])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[4,5,6](C[4,5,6,6]C[4,6]N[5,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[4]C[4,6]HH)(C[6]C[6]O){2|C<4>,3|C<3>,6|H<1>}	O(C[6]C[4,5,6]C[6])	120.3860	0.000	1	120.3860	0.000	1	120.3860	0.000	1	120.3860	0.000	1	120.6062	1.377	9	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,5,6]	O	4:4:1:	4:4:4:3:	3:	C[4,5,6]-4:C[6]-4:O-1:	C[4,5]-4:C[4,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[4,5,6]C[4,5]C[4,6]C[5])(C[6]C[6]HH)(O)	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5]C[5]HO)(C[6]C[6]O)	O(C[6]C[4,5,6]C[6])	C[6](C[4,5,6]C[4,5]C[4,6]C[5])(C[6]C[6]HH)(O){1|O<2>,4|C<4>,4|H<1>}	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(C[5]C[5]HO)(C[6]C[6]O){10|H<1>,1|C<3>}	O(C[6]C[4,5,6]C[6])	118.8090	0.000	1	118.8090	0.000	1	118.8090	0.000	1	118.8090	0.000	1	120.6062	1.377	9	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6,6]	O	4:3:1:	3:4:3:3:	3:	C[4,6,6]-4:N[6]-3:O-1:	C[6,6,6a]-3:C[4,6]-4:C[4]-3:C[6]-3:	C[6]-3:	C[6](C[4,6,6]C[6,6,6a]C[4,6]C[4])(N[6]C[6]C)(O)	C[4,6,6](C[6,6,6a]C[6,6a]2)(C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]N[6]O)	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>}	C[4,6,6](C[6,6,6a]C[6,6a]2)(C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]N[6]O){1|C<4>,2|H<1>,6|C<3>}	O(C[6]C[4,6,6]N[6])	122.1115	0.728	2	122.2850	0.355	3	122.2850	0.355	3	122.2850	0.355	3	122.5452	3.011	10	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6,6]	O	4:3:1:	3:4:3:3:	3:	C[4,6,6]-4:N[6]-3:O-1:	C[6,6,6a]-3:C[4,6]-4:C[4]-3:C[6]-3:	C[6]-3:	C[6](C[4,6,6]C[6,6,6a]C[4,6]C[4])(N[6]C[6]C)(O)	C[4,6,6](C[6,6,6a]C[6,6a]2)(C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]N[6]O)	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>}	C[4,6,6](C[6,6,6a]C[6,6a]2)(C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]N[6]O){1|H<1>,2|C<4>,6|C<3>}	O(C[6]C[4,6,6]N[6])	122.6320	0.000	1	122.2850	0.355	3	122.2850	0.355	3	122.2850	0.355	3	122.5452	3.011	10	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6,6]	O	4:3:1:	4:3:3:3:	3:	C[4,6,6]-4:N[6]-3:O-1:	C[4,6]-4:C[6,6,6a]-3:C[4]-3:C[6]-3:	C[6]-3:	C[6](C[4,6,6]C[6,6,6a]C[4,6]C[4])(N[6]C[6]C)(O)	C[4,6,6](C[4,6]C[3,6]C[4]H)(C[6,6,6a]C[6,6a]2)(C[4]C[6a]C[4])(C[6]N[6]O)	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>}	C[4,6,6](C[4,6]C[3,6]C[4]H)(C[6,6,6a]C[6,6a]2)(C[4]C[6a]C[4])(C[6]N[6]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	O(C[6]C[4,6,6]N[6])	122.5130	0.000	1	122.5130	0.000	1	122.5130	0.000	1	122.5130	0.000	1	122.5452	3.011	10	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6,6]	O	4:3:1:	4:4:3:2:	3:	C[4,6,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:O[6]-2:	C[6]-3:	C[6](C[4,6,6]C[4,6]2O[6])(N[6]C[6a]C[6])(O)	C[4,6,6](C[4,6]C[4]C[6]H)2(C[6]N[6]O)(O[6]C[6])	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>}	C[4,6,6](C[4,6]C[4]C[6]H)2(C[6]N[6]O)(O[6]C[6]){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	O(C[6]C[4,6,6]N[6])	124.0757	1.867	3	124.0757	3.484	3	124.0757	3.484	3	124.0757	3.484	3	122.5452	3.011	10	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6,6]	O	4:4:1:	4:3:4:3:	3:	C[4,6,6]-4:C[6]-4:O-1:	C[4,6]-4:C[6,6]-3:C[4]-4:C[6]-3:	C[6]-3:	C[6](C[4,6,6]C[4,6]C[6,6]C[4])(C[6]C[6]HH)(O)	C[4,6,6](C[4,6]C[4]C[6]H)(C[6,6]C[6]O[6])(C[4]C[4]CH)(C[6]C[6]O)	O(C[6]C[4,6,6]C[6])	C[6](C[4,6,6]C[4,6]C[6,6]C[4])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[4,6,6](C[4,6]C[4]C[6]H)(C[6,6]C[6]O[6])(C[4]C[4]CH)(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	O(C[6]C[4,6,6]C[6])	123.5080	0.000	1	123.5080	0.000	1	123.5080	0.000	1	123.5080	0.000	1	122.5452	3.011	10	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6,6]	O	4:4:1:	4:4:3:1:	3:	C[4,6,6]-4:C[6]-4:O-1:	C[4,3x6]-4:C[4,6,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(O)	C[4,6,6](C[4,3x6]C[6,6,6a]C[4,6]C[6])(C[4,6,6]C[4,6]N[6,6]H)(C[6]C[6]O)(H)	O(C[6]C[4,6,6]C[6])	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[4,6,6](C[4,3x6]C[6,6,6a]C[4,6]C[6])(C[4,6,6]C[4,6]N[6,6]H)(C[6]C[6]O)(H){1|C<4>,3|C<3>,6|H<1>}	O(C[6]C[4,6,6]C[6])	120.2790	0.000	1	120.2790	0.000	1	120.2790	0.000	1	120.2790	0.000	1	122.5452	3.011	10	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6,6]	O	4:4:1:	4:4:4:3:	3:	C[4,6,6]-4:C[6]-4:O-1:	C[4,6]-4:C[4,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[4,6,6]C[4,6]2C[6])(C[6]C[6]HH)(O)	C[4,6,6](C[4,6]C[4]C[6]H)2(C[6]C[6]HO)(C[6]C[6]O)	O(C[6]C[4,6,6]C[6])	C[6](C[4,6,6]C[4,6]2C[6])(C[6]C[6]HH)(O){1|O<2>,4|C<4>,5|H<1>}	C[4,6,6](C[4,6]C[4]C[6]H)2(C[6]C[6]HO)(C[6]C[6]O){10|H<1>,2|C<4>}	O(C[6]C[4,6,6]C[6])	120.0700	0.000	1	120.0700	0.000	1	120.0700	0.000	1	120.0700	0.000	1	122.5452	3.011	10	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	3:4:1:	4:3:3:1:	3:	C[6,6a]-3:C[4,6]-4:O-1:	C[4,6]-4:C[4]-3:C[6]-3:Cl-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]Cl)(O)	C[4,6](C[4,6]C[4]C[6]Cl)(C[4]C[6a]C[4])(C[6]C[6,6a]O)(Cl)	O(C[6]C[6,6a]C[4,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]Cl)(O){1|Cl<1>,1|H<1>,5|C<3>}	C[4,6](C[4,6]C[4]C[6]Cl)(C[4]C[6a]C[4])(C[6]C[6,6a]O)(Cl){1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]C[4,6])	121.6270	0.893	3	121.6270	0.798	3	121.6270	0.798	3	121.3030	0.698	6	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	3:4:1:	4:3:3:1:	3:	C[6,6a]-3:C[4,6]-4:O-1:	C[4,6]-4:C[6]-3:C[4]-3:Cl-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]Cl)(O)	C[4,6](C[4,6]C[4]C[6]Cl)(C[6]C[6,6a]O)(C[4]C[4]H)(Cl)	O(C[6]C[6,6a]C[4,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]C[4]Cl)(O){1|Cl<1>,2|H<1>,4|C<3>}	C[4,6](C[4,6]C[4]C[6]Cl)(C[6]C[6,6a]O)(C[4]C[4]H)(Cl){1|O<1>,3|C<3>}	O(C[6]C[6,6a]C[4,6])	120.9790	0.794	3	120.9790	0.631	3	120.9790	0.631	3	121.3030	0.698	6	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	3:4:1:	4:4:3:1:	3:	C[6,6a]-3:C[4,6]-4:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)(O)	C[4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]O[6]C)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]C[4,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]O[6]C)(C[6]C[6,6a]O)(H){1|O<1>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]C[4,6])	120.4060	0.929	13	120.4060	0.863	13	120.9706	3.702	18	120.9706	3.702	18	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	3:4:1:	4:4:3:1:	3:	C[6,6a]-3:C[4,6]-4:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)(O)	C[4,6](C[4,6]C[4,6]C[6a]O[6])(C[4,6]C[4,6]C[6]H)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]C[4,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[4,6](C[4,6]C[4,6]C[6a]O[6])(C[4,6]C[4,6]C[6]H)(C[6]C[6,6a]O)(H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	O(C[6]C[6,6a]C[4,6])	121.5120	0.000	1	121.5120	0.000	1	120.9706	3.702	18	120.9706	3.702	18	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	3:4:1:	4:4:3:1:	3:	C[6,6a]-3:C[4,6]-4:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)(O)	C[4,6](C[4,6]C[4,6]O[6]H)2(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]C[4,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4,6]2H)(O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[4,6](C[4,6]C[4,6]O[6]H)2(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	O(C[6]C[6,6a]C[4,6])	122.6700	3.492	4	122.6700	12.197	4	120.9706	3.702	18	120.9706	3.702	18	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:2:1:	3:4:3:1:	3:	C[4,6]-4:O[6]-2:O-1:	N[4,6]-3:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]N[4,6]C[4]H)(O[6]C[6])(O)	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]CH)(C[6]O[6]O)(H)	O(C[6]C[4,6]O[6])	C[6](C[4,6]N[4,6]C[4]H)(O[6]C[6])(O){1|C<3>,2|C<4>,3|H<1>}	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]CH)(C[6]O[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[6]C[4,6]O[6])	125.3800	0.000	1	125.3800	0.000	1	125.4832	0.233	4	125.4832	0.233	4	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:2:1:	3:4:3:1:	3:	C[4,6]-4:O[6]-2:O-1:	N[4,6]-3:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]N[4,6]C[4]H)(O[6]C[6])(O)	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]N[5]H)(C[6]O[6]O)(H)	O(C[6]C[4,6]O[6])	C[6](C[4,6]N[4,6]C[4]H)(O[6]C[6])(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[4,6](N[4,6]C[4]C[6])(C[4]C[4]N[5]H)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[4,6]O[6])	125.5177	0.585	3	125.5177	0.343	3	125.4832	0.233	4	125.4832	0.233	4	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:2:1:	4:3:3:3:	3:	C[4,6]-4:O[6]-2:O-1:	C[4,5]-4:C[6]-3:C[6]-3:N[4]-3:	C[6]-3:	C[6](C[4,6]C[4,5]C[6]N[4])(O[6]C[6])(O)	C[4,6](C[4,5]C[4]C[5]O[5])(C[6]O[6]O)2(N[4]C[4]C)	O(C[6]C[4,6]O[6])	C[6](C[4,6]C[4,5]C[6]N[4])(O[6]C[6])(O){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[4,6](C[4,5]C[4]C[5]O[5])(C[6]O[6]O)2(N[4]C[4]C){1|O<2>,2|C<4>,2|O<1>}	O(C[6]C[4,6]O[6])	123.3510	0.280	2	123.3510	0.078	2	123.3510	0.078	2	123.3510	0.078	2	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:2:1:	4:4:3:1:	3:	C[4,6]-4:O[6]-2:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]2H)(O[6]C[6,6a])(O)	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[4,6]C[4,6]C[6]H)(C[6]O[6]O)(H)	O(C[6]C[4,6]O[6])	C[6](C[4,6]C[4,6]2H)(O[6]C[6,6a])(O){1|C<4>,2|H<1>,3|C<3>}	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[4,6]C[4,6]C[6]H)(C[6]O[6]O)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[4,6]O[6])	123.5780	0.802	6	123.5780	0.644	6	123.7998	0.632	8	122.9412	1.538	18	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:2:1:	4:4:3:1:	3:	C[4,6]-4:O[6]-2:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]2H)(O[6]C[6,6a])(O)	C[4,6](C[4,6]C[6,6a]C[4,6]H)2(C[6]O[6]O)(H)	O(C[6]C[4,6]O[6])	C[6](C[4,6]C[4,6]2H)(O[6]C[6,6a])(O){1|C<4>,2|H<1>,3|C<3>}	C[4,6](C[4,6]C[6,6a]C[4,6]H)2(C[6]O[6]O)(H){1|H<1>,5|C<3>}	O(C[6]C[4,6]O[6])	124.4650	0.144	2	124.4650	0.021	2	123.7998	0.632	8	122.9412	1.538	18	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:2:1:	4:4:3:1:	3:	C[4,6]-4:O[6]-2:O-1:	C[4,6]-4:C[4]-4:C[6]-3:Cl-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]Cl)(O[6]C[6,6a])(O)	C[4,6](C[4,6]C[6,6a]C[4]Cl)(C[4]C[4]HH)(C[6]O[6]O)(Cl)	O(C[6]C[4,6]O[6])	C[6](C[4,6]C[4,6]C[4]Cl)(O[6]C[6,6a])(O){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[4,6](C[4,6]C[6,6a]C[4]Cl)(C[4]C[4]HH)(C[6]O[6]O)(Cl){1|O<2>,3|C<3>}	O(C[6]C[4,6]O[6])	122.4750	0.522	2	122.4750	0.272	2	122.4750	0.272	2	122.9412	1.538	18	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:2:1:	4:4:3:1:	3:	C[4,6]-4:O[6]-2:O-1:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(O)	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[4]CH)(C[6]O[6]O)(H)	O(C[6]C[4,6]O[6])	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(O){1|C<3>,2|H<1>,4|C<4>}	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[4]CH)(C[6]O[6]O)(H){1|C<4>,4|H<1>}	O(C[6]C[4,6]O[6])	122.8280	0.384	3	122.8280	0.147	3	122.8570	0.102	4	122.9412	1.538	18	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:2:1:	4:4:3:1:	3:	C[4,6]-4:O[6]-2:O-1:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(O)	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[4]HH)(C[6]O[6]O)(H)	O(C[6]C[4,6]O[6])	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(O){3|H<1>,4|C<4>}	C[4,6](C[4,6]C[4]C[6]C)(C[4]C[4]HH)(C[6]O[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[4,6]O[6])	122.9440	0.000	1	122.9440	0.000	1	122.8570	0.102	4	122.9412	1.538	18	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:2:1:	4:4:3:1:	3:	C[4,6]-4:S[6]-2:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]2H)(S[6]C[6,6a])(O)	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[4,6]C[4,6]C[6]H)(C[6]S[6]O)(H)	O(C[6]C[4,6]S[6])	C[6](C[4,6]C[4,6]2H)(S[6]C[6,6a])(O){1|C<4>,2|H<1>,3|C<3>}	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[4,6]C[4,6]C[6]H)(C[6]S[6]O)(H){1|H<1>,1|O<1>,1|S<2>,3|C<3>}	O(C[6]C[4,6]S[6])	121.5412	1.521	4	121.5412	2.315	4	121.5412	2.315	4	122.9412	1.538	18	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:2:1:	4:4:3:3:	3:	C[4,6]-4:O[6]-2:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[4,6]C[4,6]2C)(O[6]C[6,6a])(O)	C[4,6](C[4,6]C[6,6a]C[4,6]H)2(C[6]O[6]O)(CN[5]O)	O(C[6]C[4,6]O[6])	C[6](C[4,6]C[4,6]2C)(O[6]C[6,6a])(O){1|C<4>,2|H<1>,3|C<3>}	C[4,6](C[4,6]C[6,6a]C[4,6]H)2(C[6]O[6]O)(CN[5]O){6|C<3>}	O(C[6]C[4,6]O[6])	122.8530	0.703	6	122.8530	0.495	6	122.8530	0.495	6	122.6180	0.548	8	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:2:1:	4:4:3:3:	3:	C[4,6]-4:O[6]-2:O-1:	C[4,6]-4:C[4]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]C)(O[6]C[6,6a])(O)	C[4,6](C[4,6]C[6,6a]C[4]C)(C[4]C[4]HH)(C[6]O[6]O)(CNO)	O(C[6]C[4,6]O[6])	C[6](C[4,6]C[4,6]C[4]C)(O[6]C[6,6a])(O){2|C<3>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[6,6a]C[4]C)(C[4]C[4]HH)(C[6]O[6]O)(CNO){1|C<4>,1|O<2>,2|C<3>}	O(C[6]C[4,6]O[6])	121.7710	0.000	1	121.9130	0.040	2	121.9130	0.040	2	122.6180	0.548	8	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:2:1:	4:4:3:3:	3:	C[4,6]-4:O[6]-2:O-1:	C[4,6]-4:C[4]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]C)(O[6]C[6,6a])(O)	C[4,6](C[4,6]C[6,6a]C[4]C)(C[4]C[4]HH)(C[6]O[6]O)(CNO)	O(C[6]C[4,6]O[6])	C[6](C[4,6]C[4,6]C[4]C)(O[6]C[6,6a])(O){2|C<3>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[6,6a]C[4]C)(C[4]C[4]HH)(C[6]O[6]O)(CNO){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[4,6]O[6])	122.0550	0.000	1	121.9130	0.040	2	121.9130	0.040	2	122.6180	0.548	8	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	2:4:4:3:	3:	C[4,6]-4:N[6]-3:O-1:	O[6]-2:C[4]-4:C[4]-4:C[6]-3:	C[6]-3:	C[6](C[4,6]C[4]2O[6])(N[6]C[6,6a]C[6])(O)	C[4,6](O[6]C[6,6a])(C[4]C[4]HH)2(C[6]N[6]O)	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>}	C[4,6](O[6]C[6,6a])(C[4]C[4]HH)2(C[6]N[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[4,6]N[6])	120.3370	0.000	1	120.3370	0.000	1	120.3370	0.000	1	120.3370	0.000	1	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	3:3:3:3:	3:	C[4,6]-4:N[6]-3:O-1:	N[4,6]-3:C[6a]-3:C[4]-3:C[6]-3:	C[6]-3:	C[6](C[4,6]N[4,6]C[6a]C[4])(N[6]C[6]C)(O)	C[4,6](N[4,6]C[4]C[6])(C[6a]C[6a]2)(C[4]C[4]C)(C[6]N[6]O)	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>}	C[4,6](N[4,6]C[4]C[6])(C[6a]C[6a]2)(C[4]C[4]C)(C[6]N[6]O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	O(C[6]C[4,6]N[6])	121.1550	0.000	1	121.1550	0.000	1	121.1550	0.000	1	121.1550	0.000	1	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	3:4:2:3:	3:	C[4,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[4,5]-4:O[4]-2:C[6]-3:	C[6]-3:	C[6](C[4,6]C[6,6a]C[4,5]O[4])(N[6]C[6]C)(O)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]N[5]C)(O[4]C[4,5])(C[6]N[6]O)	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>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]N[5]C)(O[4]C[4,5])(C[6]N[6]O){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	O(C[6]C[4,6]N[6])	122.6432	0.396	5	122.6432	0.157	5	122.6432	0.157	5	122.6432	0.157	5	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	3:4:3:2:	3:	C[4,6]-4:C[6,6a]-3:O-1:	C[6,6a]-3:C[4,5]-4:C[6]-3:O[4]-2:	C[6]-3:	C[6](C[4,6]C[6,6a]C[4,5]O[4])(C[6,6a]C[6,6a]C[6a])(O)	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]N[5]H)(C[6]C[6,6a]O)(O[4]C[4,5])	O(C[6]C[6,6a]C[4,6])	C[6](C[4,6]C[6,6a]C[4,5]O[4])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[4,6](C[6,6a]C[6,6a]C[6a])(C[4,5]C[4,5]N[5]H)(C[6]C[6,6a]O)(O[4]C[4,5]){1|H<1>,1|O<2>,6|C<3>}	O(C[6]C[6,6a]C[4,6])	121.5960	0.000	1	121.5960	0.000	1	121.5960	0.000	1	121.5960	0.000	1	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:3:2:4:	3:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[6]-3:O[4]-2:C-4:	C[6]-3:	C[6](C[4,6]C[4,6]O[4]C)(N[6]C[6]C)(O)	C[4,6](C[4,6]C[4]N[6]H)(C[6]N[6]O)(O[4]C[4])(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>}	C[4,6](C[4,6]C[4]N[6]H)(C[6]N[6]O)(O[4]C[4])(CH3){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[4,6]N[6])	120.8140	0.000	1	120.8140	0.000	1	120.8140	0.000	1	120.8140	0.000	1	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6,6a]-3:O-1:	C[3,4]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[3,4]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(O)	C[4,6](C[3,4]C[3,4]C[3]2)(C[4,6]C[3,4]C[6]H)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]C[4,6])	C[6](C[4,6]C[3,4]C[4,6]H)(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,3|C<3>,3|C<4>}	C[4,6](C[3,4]C[3,4]C[3]2)(C[4,6]C[3,4]C[6]H)(C[6]C[6,6a]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[4,6])	119.8540	0.085	2	119.8540	0.007	2	119.8540	0.007	2	121.1434	0.958	31	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6,6a]-3:O-1:	C[4,4,6]-4:C[3,4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,4,6]C[3,4]H)(C[6,6a]C[6,6a]C[6a])(O)	C[4,6](C[4,4,6]C[3,4]C[4,6]O[4])(C[3,4]C[3,4]C[3]2)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]C[4,6])	C[6](C[4,6]C[4,4,6]C[3,4]H)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[4,6](C[4,4,6]C[3,4]C[4,6]O[4])(C[3,4]C[3,4]C[3]2)(C[6]C[6,6a]O)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6a]C[4,6])	120.4380	1.178	2	120.4380	1.388	2	120.4380	1.388	2	121.1434	0.958	31	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6,6a]-3:O-1:	C[4,6]-4:C[3,4]-4:C[6]-3:Cl-1:	C[6]-3:	C[6](C[4,6]C[3,4]C[4,6]Cl)(C[6,6a]C[6,6a]C[6a])(O)	C[4,6](C[4,6]C[3,4]C[6]Cl)(C[3,4]C[3,4]C[3]2)(C[6]C[6,6a]O)(Cl)	O(C[6]C[6,6a]C[4,6])	C[6](C[4,6]C[3,4]C[4,6]Cl)(C[6,6a]C[6,6a]C[6a])(O){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	C[4,6](C[4,6]C[3,4]C[6]Cl)(C[3,4]C[3,4]C[3]2)(C[6]C[6,6a]O)(Cl){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[4,6])	120.9420	1.310	2	120.9420	1.715	2	120.9420	1.715	2	121.1434	0.958	31	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:O-1:	C[4,5,6,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,5,6,6]C[4]H)(C[6]C[6]H)(O)	C[4,6](C[4,5,6,6]C[4,5,6]C[5,5,6]C[6])(C[4]C[4,5,6]HH)(C[6]C[6]O)(H)	O(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,5,6,6]C[4]H)(C[6]C[6]H)(O){1|O<2>,2|H<1>,3|C<4>}	C[4,6](C[4,5,6,6]C[4,5,6]C[5,5,6]C[6])(C[4]C[4,5,6]HH)(C[6]C[6]O)(H){1|C<3>,3|C<4>,5|H<1>}	O(C[6]C[4,6]C[6])	119.3535	1.177	2	119.3535	1.386	2	119.3535	1.386	2	121.1434	0.958	31	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:O-1:	C[4,5]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]H)(O)	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]C)(C[6]C[6]O)(H)	O(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]C)(C[6]C[6]O)(H){1|O<1>,2|H<1>,4|C<3>}	O(C[6]C[4,6]C[6])	121.4250	0.000	1	121.4250	0.000	1	121.4250	0.000	1	121.1434	0.958	31	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:O-1:	C[4,6,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]H)(O)	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6]C[6]O)(H)	O(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,4|H<1>}	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6]C[4,6]C[6])	120.5390	0.000	1	120.3410	0.078	2	120.3410	0.078	2	121.1434	0.958	31	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:O-1:	C[4,6,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]H)(O)	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6]C[6]O)(H)	O(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]H)(O){1|C<3>,2|C<4>,3|H<1>}	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[4,6]C[6])	120.1430	0.000	1	120.3410	0.078	2	120.3410	0.078	2	121.1434	0.958	31	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]2H)(C[6]C[6]H)(O)	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]O)(H)	O(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]2H)(C[6]C[6]H)(O){1|C<4>,2|C<3>,3|H<1>}	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]O)(H){1|O<1>,2|H<1>,4|C<3>}	O(C[6]C[4,6]C[6])	121.4120	0.028	2	121.4120	0.001	2	121.4120	0.001	2	121.1434	0.958	31	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:O-1:	C[4,6]-4:C[4]-4:C[6]-3:Cl-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]Cl)(C[6]C[6]Cl)(O)	C[4,6](C[4,6]C[4]C[6]Cl)(C[4]C[4]HH)(C[6]C[6]O)(Cl)	O(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]C[4]Cl)(C[6]C[6]Cl)(O){2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]Cl)(C[4]C[4]HH)(C[6]C[6]O)(Cl){1|Cl<1>,1|O<1>,3|C<3>}	O(C[6]C[4,6]C[6])	121.0290	0.000	1	121.0290	0.000	1	121.6950	0.887	2	121.1434	0.958	31	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:O-1:	C[4,6]-4:C[4]-4:C[6]-3:Cl-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]Cl)(C[6]C[6]Cl)(O)	C[4,6](C[4,6]C[4]C[6]Cl)(C[4]C[6a]2C[4])(C[6]C[6]O)(Cl)	O(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]C[4]Cl)(C[6]C[6]Cl)(O){2|Cl<1>,1|C<4>,3|C<3>}	C[4,6](C[4,6]C[4]C[6]Cl)(C[4]C[6a]2C[4])(C[6]C[6]O)(Cl){1|Cl<1>,1|O<1>,2|H<1>,5|C<3>}	O(C[6]C[4,6]C[6])	122.3610	0.000	1	122.3610	0.000	1	121.6950	0.887	2	121.1434	0.958	31	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:1:	3:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]2H)(N[6]C[6]C)(O)	C[4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]N[6]C)(C[6]N[6]O)(H)	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>}	C[4,6](C[4,6]C[4,6]C[6]H)(C[4,6]C[4,6]N[6]C)(C[6]N[6]O)(H){1|C<3>,1|O<1>,2|N<3>,3|C<4>}	O(C[6]C[4,6]N[6])	121.3976	0.619	7	121.3976	0.384	7	121.7064	0.397	12	121.1434	0.958	31	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:1:	3:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]2H)(N[6]C[6]C)(O)	C[4,6](C[4,6]C[4,6]N[6]C)2(C[6]N[6]O)(H)	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>}	C[4,6](C[4,6]C[4,6]N[6]C)2(C[6]N[6]O)(H){1|H<1>,3|C<3>,3|C<4>}	O(C[6]C[4,6]N[6])	122.0757	0.357	4	122.1388	0.116	5	121.7064	0.397	12	121.1434	0.958	31	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:1:	3:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]2H)(N[6]C[6]C)(O)	C[4,6](C[4,6]C[4,6]N[6]C)2(C[6]N[6]O)(H)	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>}	C[4,6](C[4,6]C[4,6]N[6]C)2(C[6]N[6]O)(H){3|C<3>,4|C<4>}	O(C[6]C[4,6]N[6])	122.3910	0.000	1	122.1388	0.116	5	121.7064	0.397	12	121.1434	0.958	31	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:1:	3:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4]-4:C[6]-3:F-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]F)(N[6]C[6]H)(O)	C[4,6](C[4,6]C[4]N[6]H)(C[4]C[6a]C[4]H)(C[6]N[6]O)(F)	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>}	C[4,6](C[4,6]C[4]N[6]H)(C[4]C[6a]C[4]H)(C[6]N[6]O)(F){1|N<2>,3|C<3>,3|H<1>}	O(C[6]C[4,6]N[6])	121.7965	0.524	2	121.7965	0.275	2	121.7965	0.275	2	121.1434	0.958	31	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:1:	3:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4]-4: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)	C[4,6](C[4,6]C[6,6a]C[4]O)(C[4]C[4]HH)(C[6]N[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>}	C[4,6](C[4,6]C[6,6a]C[4]O)(C[4]C[4]HH)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[4,6]N[6])	121.6390	0.000	1	121.6390	0.000	1	120.9390	0.980	2	121.1434	0.958	31	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:1:	3:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]C)(O)	C[4,6](C[4,6]C[6]N[4]H)(C[4]N[4]CH)(C[6]N[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]C)(O){1|C<3>,1|N<4>,2|C<4>,3|H<1>}	C[4,6](C[4,6]C[6]N[4]H)(C[4]N[4]CH)(C[6]N[6]O)(H){1|Cl<1>,2|H<1>,3|C<4>}	O(C[6]C[4,6]N[6])	120.2390	0.000	1	120.2390	0.000	1	120.9390	0.980	2	121.1434	0.958	31	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:2:	3:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4,5]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[4,6]C[4,5]C[4,6]O)(N[6]C[6,6a]H)(O)	C[4,6](C[4,6]C[6,6a]C[4,5]H)(C[4,5]C[4,5]C[5]H)(C[6]N[6]O)(OC)	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>}	C[4,6](C[4,6]C[6,6a]C[4,5]H)(C[4,5]C[4,5]C[5]H)(C[6]N[6]O)(OC){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[4,6]N[6])	120.4730	0.000	1	120.4730	0.000	1	120.4730	0.000	1	120.4730	0.000	1	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:3:	3:	C[4,6]-4:C[6]-3:O-1:	C[4,5]-4:C[4,6]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[4,6]C[4,5]C[4,6]C)(C[6]C[6]H)(O)	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(C[6]C[6]O)(COO)	O(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,5]C[4,6]C)(C[6]C[6]H)(O){1|C<4>,2|C<3>,3|H<1>}	C[4,6](C[4,5]C[4,5]C[5]H)(C[4,6]C[4,5]C[6]H)(C[6]C[6]O)(COO){1|O<1>,3|C<3>,3|H<1>}	O(C[6]C[4,6]C[6])	120.3400	0.000	1	120.3400	0.000	1	120.3400	0.000	1	119.6890	1.534	4	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:3:	3:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]C)(N[6]C[6,6a]C)(O)	C[4,6](C[4,6]C[6,6a]C[4]C)(C[4]C[4]HH)(C[6]N[6]O)(CNO)	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>}	C[4,6](C[4,6]C[6,6a]C[4]C)(C[4]C[4]HH)(C[6]N[6]O)(CNO){1|C<2>,2|C<3>,2|C<4>}	O(C[6]C[4,6]N[6])	119.3310	0.000	1	118.7290	0.725	2	118.7290	0.725	2	119.6890	1.534	4	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:3:	3:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]C)(N[6]C[6,6a]C)(O)	C[4,6](C[4,6]C[6,6a]C[4]C)(C[4]C[4]HH)(C[6]N[6]O)(CNO)	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>}	C[4,6](C[4,6]C[6,6a]C[4]C)(C[4]C[4]HH)(C[6]N[6]O)(CNO){1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[4,6]N[6])	118.1270	0.000	1	118.7290	0.725	2	118.7290	0.725	2	119.6890	1.534	4	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:3:	3:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4]-4:C[6]-3:N[6]-3:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]N[6])(N[6]C[6]H)(O)	C[4,6](C[4,6]C[4]C[6]N[6])(C[4]C[5a]C[4]H)(C[6]N[6]O)(N[6]C[6]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>}	C[4,6](C[4,6]C[4]C[6]N[6])(C[4]C[5a]C[4]H)(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	O(C[6]C[4,6]N[6])	120.9580	0.000	1	120.9580	0.000	1	120.9580	0.000	1	119.6890	1.534	4	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:4:	3:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[4,6]C[4,6]2C)(N[6]C[6]C)(O)	C[4,6](C[4,6]C[4,6]N[6]C)2(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>}	C[4,6](C[4,6]C[4,6]N[6]C)2(C[6]N[6]O)(CH3){1|H<1>,3|C<3>,3|C<4>}	O(C[6]C[4,6]N[6])	121.4630	0.000	1	121.4630	0.000	1	121.8340	0.103	3	121.6714	5.492	9	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:4:	3:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[4,6]C[4,6]2C)(N[6]C[6]H)(O)	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]N[6]H)(C[6]N[6]O)(CN[5a]HH)	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>}	C[4,6](C[4,6]C[4,6]C[6]C)(C[4,6]C[4,6]N[6]H)(C[6]N[6]O)(CN[5a]HH){1|C<3>,1|O<1>,2|N<3>,3|H<1>}	O(C[6]C[4,6]N[6])	122.0195	0.019	2	122.0195	0.000	2	121.8340	0.103	3	121.6714	5.492	9	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:4:	3:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4]-4: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)	C[4,6](C[4,6]C[6,6a]C[3,4]C[6a])(C[4]C[3,4]HH)(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[6,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	C[4,6](C[4,6]C[6,6a]C[3,4]C[6a])(C[4]C[3,4]HH)(C[6]N[6]O)(CH3){3|C<4>,4|C<3>}	O(C[6]C[4,6]N[6])	123.0705	5.888	2	123.0705	34.669	2	121.5902	8.721	6	121.6714	5.492	9	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:4:	3:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4]-4: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)	C[4,6](C[4,6]C[6,6a]C[4]C)(C[4]C[4]HH)(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[6,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	C[4,6](C[4,6]C[6,6a]C[4]C)(C[4]C[4]HH)(C[6]N[6]O)(CH3){1|C<2>,2|C<3>,2|C<4>}	O(C[6]C[4,6]N[6])	120.0860	0.066	2	120.0860	0.004	2	121.5902	8.721	6	121.6714	5.492	9	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:4:	3:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4]-4: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)	C[4,6](C[4,6]N[6]O[4]C)(C[4]C[6a]2O[4])(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>}	C[4,6](C[4,6]N[6]O[4]C)(C[4]C[6a]2O[4])(C[6]N[6]O)(CH3){2|C<4>,5|C<3>}	O(C[6]C[4,6]N[6])	121.5050	0.000	1	121.5050	0.000	1	121.5902	8.721	6	121.6714	5.492	9	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:1:	4:4:3:4:	3:	C[4,6]-4:N[6]-3:O-1:	C[4,6]-4:C[4]-4: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)	C[4,6](C[4,6]N[6]O[4]H)(C[4]C[6a]2O[4])(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>}	C[4,6](C[4,6]N[6]O[4]H)(C[4]C[6a]2O[4])(C[6]N[6]O)(CH3){2|C<4>,5|C<3>}	O(C[6]C[4,6]N[6])	121.7230	0.000	1	121.7230	0.000	1	121.5902	8.721	6	121.6714	5.492	9	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:4:1:	4:3:3:1:	3:	C[4,6]-4:C[6]-4:O-1:	C[4,6]-4:C[4]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(O)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]N)(C[6]C[6]O)(H)	O(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]N)(C[6]C[6]O)(H){2|C<4>,4|H<1>}	O(C[6]C[4,6]C[6])	119.9050	0.000	1	119.9050	0.000	1	119.9050	0.000	1	119.9050	0.000	1	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:4:1:	4:3:4:1:	3:	C[3,6]-4:C[4,6]-4:O-1:	C[4,6]-4:C[6]-3:C[4]-4:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]C)(C[4,6]C[4,6]C[4]H)(O)	C[4,6](C[4,6]C[4]C[6]C)(C[6]C[3,6]O)(C[4]C[4]HH)(H)	O(C[6]C[3,6]C[4,6])	C[6](C[3,6]C[3,6]C[3]C)(C[4,6]C[4,6]C[4]H)(O){2|C<4>,3|C<3>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]C)(C[6]C[3,6]O)(C[4]C[4]HH)(H){1|H<1>,1|O<1>,4|C<4>}	O(C[6]C[3,6]C[4,6])	118.6700	0.291	2	118.6700	0.085	2	118.6700	0.085	2	118.6700	0.085	2	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:4:1:	4:3:4:4:	3:	C[3,6]-4:C[4,6]-4:O-1:	C[4,6]-4:C[6]-3:C[4]-4:C-4:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(C[4,6]C[4,6]C[4]C)(O)	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[3,6]O)(C[4]C[4]CH)(CH3)	O(C[6]C[3,6]C[4,6])	C[6](C[3,6]C[3,6]C[3]H)(C[4,6]C[4,6]C[4]C)(O){2|H<1>,3|C<3>,3|C<4>}	C[4,6](C[4,6]C[4]C[6]H)(C[6]C[3,6]O)(C[4]C[4]CH)(CH3){1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[3,6]C[4,6])	121.6160	0.216	2	121.6160	0.047	2	121.6160	0.047	2	121.6160	0.047	2	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:4:1:	4:4:3:1:	3:	C[4,6]-4:C[3,6]-4:O-1:	C[4,5,5,6]-4:C[4,5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,5,5,6]C[4,5]H)(C[3,6]C[3,6]O[3]H)(O)	C[4,6](C[4,5,5,6]C[4,5,5]C[5,5,6]C[5])(C[4,5]C[4,5,5]O[5]C)(C[6]C[3,6]O)(H)	O(C[6]C[3,6]C[4,6])	C[6](C[4,6]C[4,5,5,6]C[4,5]H)(C[3,6]C[3,6]O[3]H)(O){1|H<1>,1|O<2>,4|C<4>}	C[4,6](C[4,5,5,6]C[4,5,5]C[5,5,6]C[5])(C[4,5]C[4,5,5]O[5]C)(C[6]C[3,6]O)(H){1|N<3>,1|O<2>,3|H<1>,6|C<4>}	O(C[6]C[3,6]C[4,6])	120.4830	0.000	1	120.4830	0.000	1	120.4830	0.000	1	122.0314	3.118	37	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:4:1:	4:4:3:1:	3:	C[4,6]-4:C[4,6]-4:O-1:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]H)2(O)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[5a]C[4]H)(C[6]C[4,6]O)(H)	O(C[6]C[4,6]2)	C[6](C[4,6]C[4,6]C[4]H)2(O){2|C<4>,3|C<3>,4|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[5a]C[4]H)(C[6]C[4,6]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[4,6]2)	123.0720	0.915	2	123.0720	0.837	2	122.9970	0.422	10	122.0314	3.118	37	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:4:1:	4:4:3:1:	3:	C[4,6]-4:C[4,6]-4:O-1:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]H)2(O)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4]H)(C[6]C[4,6]O)(H)	O(C[6]C[4,6]2)	C[6](C[4,6]C[4,6]C[4]H)2(O){2|C<4>,3|C<3>,4|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4]H)(C[6]C[4,6]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[4,6]2)	122.9783	0.649	8	122.9783	0.422	8	122.9970	0.422	10	122.0314	3.118	37	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:4:1:	4:4:3:1:	3:	C[4,6]-4:C[5,6]-4:O-1:	C[4,4,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,4,6]C[4]H)(C[5,6]C[5,5,6]C[5]H)(O)	C[4,6](C[4,4,6]C[4,4]C[5,6]C[4])(C[4]C[4,4]HH)(C[6]C[5,6]O)(H)	O(C[6]C[4,6]C[5,6])	C[6](C[4,6]C[4,4,6]C[4]H)(C[5,6]C[5,5,6]C[5]H)(O){1|O<2>,3|H<1>,6|C<4>}	C[4,6](C[4,4,6]C[4,4]C[5,6]C[4])(C[4]C[4,4]HH)(C[6]C[5,6]O)(H){1|C<3>,4|C<4>,4|H<1>}	O(C[6]C[4,6]C[5,6])	120.2600	0.000	1	120.2600	0.000	1	120.2600	0.000	1	122.0314	3.118	37	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:4:1:	4:4:3:1:	3:	C[4,6]-4:C[5,6]-4:O-1:	C[4,5,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,5,6]C[4]H)(C[5,6]C[5,5,6]C[5]H)(O)	C[4,6](C[4,5,6]C[4,5]C[5,6]C[5])(C[4]C[4,5]HH)(C[6]C[5,6]O)(H)	O(C[6]C[4,6]C[5,6])	C[6](C[4,6]C[4,5,6]C[4]H)(C[5,6]C[5,5,6]C[5]H)(O){1|O<2>,3|H<1>,6|C<4>}	C[4,6](C[4,5,6]C[4,5]C[5,6]C[5])(C[4]C[4,5]HH)(C[6]C[5,6]O)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	O(C[6]C[4,6]C[5,6])	126.0285	0.194	2	126.0285	0.038	2	126.0285	0.038	2	122.0314	3.118	37	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:4:1:	4:4:3:1:	3:	C[4,6]-4:C[5,6]-4:O-1:	C[4,5]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,5]C[4,6]H)(C[5,6]C[6]S[5]2)(O)	C[4,6](C[4,5]C[5,6a]C[4]C[5])(C[4,6]C[4]C[6]H)(C[6]C[5,6]O)(H)	O(C[6]C[4,6]C[5,6])	C[6](C[4,6]C[4,5]C[4,6]H)(C[5,6]C[6]S[5]2)(O){2|H<1>,3|C<3>,3|C<4>}	C[4,6](C[4,5]C[5,6a]C[4]C[5])(C[4,6]C[4]C[6]H)(C[6]C[5,6]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|S<2>,3|C<3>}	O(C[6]C[4,6]C[5,6])	120.3060	0.000	1	120.3060	0.000	1	120.3060	0.000	1	122.0314	3.118	37	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:4:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-4:O-1:	C[4,5,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(O)	C[4,6](C[4,5,6]C[4,5]C[5]O[6])(C[4]C[4,5]HH)(C[6]C[6]O)(H)	O(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[4,6](C[4,5,6]C[4,5]C[5]O[6])(C[4]C[4,5]HH)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	O(C[6]C[4,6]C[6])	120.8520	0.392	3	120.8520	0.154	3	121.2218	0.351	5	122.0314	3.118	37	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:4:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-4:O-1:	C[4,5,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]O[6]HH)(O)	C[4,6](C[4,5,6]C[4,5]C[5,6]C)(C[4]C[4,5]HH)(C[6]C[6]O)(H)	O(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]O[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	C[4,6](C[4,5,6]C[4,5]C[5,6]C)(C[4]C[4,5]HH)(C[6]C[6]O)(H){1|C<4>,3|H<1>,3|O<2>}	O(C[6]C[4,6]C[6])	121.7765	0.265	2	121.7765	0.070	2	121.2218	0.351	5	122.0314	3.118	37	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:4:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-4:O-1:	C[4,5]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]CC)(O)	C[4,6](C[4,5]C[5,6a]C[4]C[5])(C[4,6]C[4]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]CC)(O){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[4,6](C[4,5]C[5,6a]C[4]C[5])(C[4,6]C[4]C[6]H)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	O(C[6]C[4,6]C[6])	126.9250	0.000	1	126.9250	0.000	1	126.9250	0.000	1	122.0314	3.118	37	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:4:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-4:O-1:	C[4,6,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6,6]C[4,6]H)(C[6]C[6]HH)(O)	C[4,6](C[4,6,6]C[4,6,6]C[6]N[6])(C[4,6]C[4,6,6]N[6]H)(C[6]C[6]O)(H)	O(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6,6]C[4,6]H)(C[6]C[6]HH)(O){2|H<1>,2|N<3>,3|C<4>}	C[4,6](C[4,6,6]C[4,6,6]C[6]N[6])(C[4,6]C[4,6,6]N[6]H)(C[6]C[6]O)(H){2|C<3>,4|C<4>,5|H<1>}	O(C[6]C[4,6]C[6])	121.4970	0.000	1	121.4970	0.000	1	121.4970	0.000	1	122.0314	3.118	37	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:4:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-4:O-1:	C[4,6,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(O)	C[4,6](C[4,6,6]C[4,6]C[6]O[6])(C[4]C[4,6]HH)(C[6]C[6]O)(H)	O(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[4,6](C[4,6,6]C[4,6]C[6]O[6])(C[4]C[4,6]HH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[6]C[4,6]C[6])	122.1523	0.980	3	122.1523	0.961	3	122.1523	0.961	3	122.0314	3.118	37	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:4:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-4:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]2H)(C[6]C[6,6a]CC)(O)	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[4,6]C[4,6]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]2H)(C[6]C[6,6a]CC)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[4,6](C[4,6]C[6,6a]C[4,6]H)(C[4,6]C[4,6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	O(C[6]C[4,6]C[6])	121.5880	0.062	2	121.5880	0.004	2	120.9140	0.667	6	122.0314	3.118	37	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:4:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-4:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]2H)(C[6]C[6]CC)(O)	C[4,6](C[4,6]C[6,6a]C[4]O[6])(C[4,6]C[4]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]2H)(C[6]C[6]CC)(O){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[6,6a]C[4]O[6])(C[4,6]C[4]C[6]H)(C[6]C[6]O)(H){2|H<1>,4|C<3>,4|C<4>}	O(C[6]C[4,6]C[6])	119.9570	0.000	1	119.9570	0.000	1	120.9140	0.667	6	122.0314	3.118	37	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:4:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-4:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(O)	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]O)(H)	O(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,4|H<1>}	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]O)(H){1|O<1>,3|C<4>,5|H<1>}	O(C[6]C[4,6]C[6])	121.2735	0.122	2	120.7837	0.727	3	120.9140	0.667	6	122.0314	3.118	37	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:4:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-4:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(O)	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]O)(H)	O(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(O){3|C<4>,4|H<1>}	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]O)(H){1|C<3>,2|C<4>,7|H<1>}	O(C[6]C[4,6]C[6])	119.8040	0.000	1	120.7837	0.727	3	120.9140	0.667	6	122.0314	3.118	37	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:4:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-4:O-1:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(O)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CC)(C[6]C[6]O)(H)	O(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(O){1|H<1>,6|C<4>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]CC)(C[6]C[6]O)(H){1|C<4>,2|C<2>,4|H<1>}	O(C[6]C[4,6]C[6])	119.1670	0.494	2	119.1670	0.244	2	120.7822	2.249	5	122.0314	3.118	37	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:4:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-4:O-1:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(O)	C[4,6](C[4,6]C[4]O[6]C)(C[4]C[4]HH)(C[6]C[6]O)(H)	O(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[4,6](C[4,6]C[4]O[6]C)(C[4]C[4]HH)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	O(C[6]C[4,6]C[6])	121.8590	0.168	3	121.8590	0.028	3	120.7822	2.249	5	122.0314	3.118	37	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:4:1:	4:4:3:1:	3:	C[5,6]-4:C[4,6]-4:O-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[6]S[5]2)(C[4,6]C[4,6]2H)(O)	C[4,6](C[4,6]C[6,6a]C[4]O[6])(C[4,6]C[4]C[6]H)(C[6]C[5,6]O)(H)	O(C[6]C[4,6]C[5,6])	C[6](C[5,6]C[6]S[5]2)(C[4,6]C[4,6]2H)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[4,6](C[4,6]C[6,6a]C[4]O[6])(C[4,6]C[4]C[6]H)(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,2|S<2>,4|C<3>}	O(C[6]C[4,6]C[5,6])	121.7010	0.000	1	121.7010	0.000	1	121.7010	0.000	1	122.0314	3.118	37	121.7639	2.966	155	122.1041	3.835	202
762	478	863	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:4:1:	4:4:3:4:	3:	C[4,6]-4:C[6]-4:O-1:	C[4,6,6]-4:C[4]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[4,6]C[4,6,6]C[4]C)(C[6]C[6]HH)(O)	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6]C[6]O)(CH3)	O(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6,6]C[4]C)(C[6]C[6]HH)(O){2|C<4>,5|H<1>}	C[4,6](C[4,6,6]C[4,6]C[6,6]H)(C[4]C[4,6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[4,6]C[6])	121.0410	0.501	3	121.0410	0.251	3	121.0410	0.251	3	121.0410	0.251	3	121.7639	2.966	155	122.1041	3.835	202
762	478	893	0:SP2_SP2_SP3	C[6]	C[4,4,6]	O	4:3:2:	3:3:3:3:	3:4:	C[4,4,6]-4:C[6]-3:O-2:	O[5x4]-3:O[5x4]-3:C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[4,4,6]O[5x4]2C[6])(C[6]C[6,6]O)(OC)	C[4,4,6](O[5x4]C[3,7x4]C[7x4])2(C[6]C[6,6]H)(C[6]C[6]O)	O(C[6]C[4,4,6]C[6])(CH3)	C[6](C[4,4,6]O[5x4]2C[6])(C[6]C[6,6]O)(OC){1|C<3>,1|C<4>,1|H<1>,2|C<6>}	C[4,4,6](O[5x4]C[3,7x4]C[7x4])2(C[6]C[6,6]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<3>,1|O<2>,2|H<2>,3|H<1>}	O(C[6]C[4,4,6]C[6])(CH3)	121.2390	0.000	1	121.2390	0.000	1	121.2390	0.000	1	121.2390	0.000	1	121.2390	0.000	1	114.6880	34.247	3
762	478	893	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:2:	4:4:3:1:	3:4:	C[4,6]-4:C[6]-3:O-2:	C[4,5,6,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:C-4:	C[6](C[4,6]C[4,5,6,6]C[4]H)(C[6]C[6]H)(OC)	C[4,6](C[4,5,6,6]C[4,5,6]C[5,5,6]C[6])(C[4]C[4,5,6]HH)(C[6]C[6]O)(H)	O(C[6]C[4,6]C[6])(CH3)	C[6](C[4,6]C[4,5,6,6]C[4]H)(C[6]C[6]H)(OC){1|O<1>,2|H<1>,3|C<4>}	C[4,6](C[4,5,6,6]C[4,5,6]C[5,5,6]C[6])(C[4]C[4,5,6]HH)(C[6]C[6]O)(H){1|C<3>,3|C<4>,5|H<1>}	O(C[6]C[4,6]C[6])(CH3)	109.9770	0.000	1	109.9770	0.000	1	109.9770	0.000	1	111.4125	4.121	2	111.4125	4.121	2	114.6880	34.247	3
762	478	893	0:SP2_SP2_SP3	C[6]	C[4,6]	O	4:3:2:	4:4:3:1:	3:4:	C[4,6]-4:C[6]-3:O-2:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:C-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(OC)	C[4,6](C[4,6]C[4]O[6]C)(C[4]C[6a]C[4]H)(C[6]C[6]O)(H)	O(C[6]C[4,6]C[6])(CH3)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(OC){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[4,6](C[4,6]C[4]O[6]C)(C[4]C[6a]C[4]H)(C[6]C[6]O)(H){2|H<1>,4|C<3>}	O(C[6]C[4,6]C[6])(CH3)	112.8480	0.000	1	112.8480	0.000	1	112.8480	0.000	1	111.4125	4.121	2	111.4125	4.121	2	114.6880	34.247	3
762	478	930	0:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C	4:3:3:	4:4:3:1:	3:2:1:	C[4,6,6]-4:C[6,6]-3:C-3:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:N-2:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHN)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]C)(H)	C(C[6,6]C[4,6,6]C[6,6])(NC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHN){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(NC)(H)	122.2262	0.948	6	122.2262	0.899	6	122.2262	0.899	6	122.2262	0.899	6	121.3340	4.706	24	120.8925	5.957	30
762	478	930	0:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[4,6,6]-4:C[6,6]-3:C-3:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCH)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]C)(H)	C(C[6,6]C[4,6,6]C[6,6])(CCC)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCH){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(CCC)(H)	115.6070	0.000	1	115.6070	0.000	1	115.9945	0.300	2	118.2300	3.519	6	121.3340	4.706	24	120.8925	5.957	30
762	478	930	0:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[4,6,6]-4:C[6,6]-3:C-3:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCH)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]C)(H)	C(C[6,6]C[4,6,6]C[6,6])(CCH)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CCH){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(CCH)(H)	116.3820	0.000	1	116.3820	0.000	1	115.9945	0.300	2	118.2300	3.519	6	121.3340	4.706	24	120.8925	5.957	30
762	478	930	0:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[4,6,6]-4:C[6,6]-3:C-3:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:N-3:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHN)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]C)(H)	C(C[6,6]C[4,6,6]C[6,6])(NC[6a]Ni)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(CHN){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(NC[6a]Ni)(H)	119.3478	0.876	4	119.3478	0.767	4	119.3478	0.767	4	118.2300	3.519	6	121.3340	4.706	24	120.8925	5.957	30
762	478	930	0:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C	4:4:3:	4:3:3:1:	3:1:1:	C[4,6,6]-4:C[4,6,6]-4:C-3:	C[4,6,6]-4:C[4,6a]-3:C[6,6]-3:H-1:	C[6,6]-3:H-1:H-1:	C[6,6](C[4,6,6]C[4,6,6]C[4,6a]H)(C[4,6,6]C[4,6]2H)(CHH)	C[4,6,6](C[4,6,6]C[4,6,6]C[4,6a]O)(C[4,6a]C[4,6a]C[6a])(C[6,6]C[4,6,6]C)(H)	C(C[6,6]C[4,6,6]2)(H)2	C[6,6](C[4,6,6]C[4,6,6]C[4,6a]H)(C[4,6,6]C[4,6]2H)(CHH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6,6]C[4,6,6]C[4,6a]O)(C[4,6a]C[4,6a]C[6a])(C[6,6]C[4,6,6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[4,6,6]2)(H)2	121.6080	0.000	1	121.6080	0.000	1	121.6080	0.000	1	121.6080	0.000	1	121.3340	4.706	24	120.8925	5.957	30
762	478	930	0:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[4,6,6]-4:C[4,6,6]-4:C-3:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:H-1:H-1:	C[6,6](C[4,6,6]C[4,6,6]C[4,6a]H)(C[4,6,6]C[4,6]2H)(CHH)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)	C(C[6,6]C[4,6,6]2)(H)2	C[6,6](C[4,6,6]C[4,6,6]C[4,6a]H)(C[4,6,6]C[4,6]2H)(CHH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]2)(H)2	124.5140	0.000	1	124.5140	0.000	1	124.5140	0.000	1	122.5155	0.814	11	121.3340	4.706	24	120.8925	5.957	30
762	478	930	0:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[4,6,6]-4:C[6,6]-4:C-3:	C[4,5,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:H-1:H-1:	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[6,6]HH)(CHH)	C[4,6,6](C[4,5,6]C[4,6,6]C[5]2)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]C)(H)	C(C[6,6]C[4,6,6]C[6,6])(H)2	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[6,6]HH)(CHH){3|C<4>,4|H<1>}	C[4,6,6](C[4,5,6]C[4,6,6]C[5]2)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]C)(H){1|O<2>,2|C<4>,7|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(H)2	122.5200	0.438	4	122.5200	0.192	4	122.5200	0.192	4	122.5155	0.814	11	121.3340	4.706	24	120.8925	5.957	30
762	478	930	0:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[4,6,6]-4:C[6,6]-4:C-3:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(CHH)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]C)(H)	C(C[6,6]C[4,6,6]C[6,6])(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(CHH){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]C)(H){2|C<4>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(H)2	121.7645	0.511	4	121.7645	0.261	4	122.1795	0.579	6	122.5155	0.814	11	121.3340	4.706	24	120.8925	5.957	30
762	478	930	0:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[4,6,6]-4:C[6,6]-4:C-3:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHH)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]C)(H)	C(C[6,6]C[4,6,6]C[6,6])(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHH){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(H)2	123.1630	0.000	1	123.0095	0.047	2	122.1795	0.579	6	122.5155	0.814	11	121.3340	4.706	24	120.8925	5.957	30
762	478	930	0:SP2_SP2_SP3	C[6,6]	C[4,6,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[4,6,6]-4:C[6,6]-4:C-3:	C[4,6]-4:C[4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:H-1:H-1:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHH)	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]C)(H)	C(C[6,6]C[4,6,6]C[6,6])(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CHH){3|C<4>,4|H<1>}	C[4,6,6](C[4,6]C[4,6,6]CC)(C[4,6]C[4,6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,3|H<1>}	C(C[6,6]C[4,6,6]C[6,6])(H)2	122.8560	0.000	1	123.0095	0.047	2	122.1795	0.579	6	122.5155	0.814	11	121.3340	4.706	24	120.8925	5.957	30
762	478	930	0:SP2_SP2_SP3	C[6]	C[4,6]	C	4:3:3:	4:4:3:1:	3:1:1:	C[4,6]-4:C[6]-3:C-3:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:H-1:O-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]H)(CHO)	C[4,6](C[4,6]C[5,6]C[4]C)(C[4]C[4]HO)(C[6]C[6]C)(H)	C(C[6]C[4,6]C[6])(H)(O)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]H)(CHO){1|O<2>,2|H<1>,4|C<4>}	C[4,6](C[4,6]C[5,6]C[4]C)(C[4]C[4]HO)(C[6]C[6]C)(H){2|C<4>,4|H<1>}	C(C[6]C[4,6]C[6])(H)(O)	118.4330	0.000	1	118.4330	0.000	1	118.4330	0.000	1	118.4330	0.000	1	119.1265	8.226	6	120.8925	5.957	30
762	478	930	0:SP2_SP2_SP3	C[6]	C[4,6]	C	4:3:3:	4:4:3:1:	3:3:2:	C[4,6]-4:C[6]-3:C-3:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:C-3:C-2:	C[6](C[4,6]C[4,6]2H)(C[6]C[6]H)(CCC)	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]C)(H)	C(C[6]C[4,6]C[6])(COO)(CN)	C[6](C[4,6]C[4,6]2H)(C[6]C[6]H)(CCC){1|C<4>,2|C<3>,3|H<1>}	C[4,6](C[4,6]C[4,6]C[6]H)2(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[4,6]C[6])(COO)(CN)	121.5205	1.597	2	121.5205	2.552	2	121.5205	2.552	2	121.5205	2.552	2	119.1265	8.226	6	120.8925	5.957	30
762	478	930	0:SP2_SP2_SP3	C[6]	C[4,6]	C	4:3:3:	4:4:3:2:	3:2:1:	C[4,6]-4:C[6]-3:C-3:	C[4,6]-4:C[4]-4:C[6]-3:O-2:	C[6]-3:S-2:O-1:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]H)(COS)	C[4,6](C[4,6]C[5,6]C[4]C)(C[4]C[4]HO)(C[6]C[6]C)(OH)	C(C[6]C[4,6]C[6])(SC)(O)	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[5,6]H)(COS){1|O<2>,2|H<1>,4|C<4>}	C[4,6](C[4,6]C[5,6]C[4]C)(C[4]C[4]HO)(C[6]C[6]C)(OH){2|C<4>,4|H<1>}	C(C[6]C[4,6]C[6])(SC)(O)	115.9005	0.511	2	115.9005	0.261	2	115.9005	0.261	2	115.9005	0.261	2	119.1265	8.226	6	120.8925	5.957	30
762	478	930	0:SP2_SP2_SP3	C[6]	C[4,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[4,6]-4:C[6]-4:C-3:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(CHH)	C[4,6](C[4,6]C[6a]C[4]C[6])(C[4]C[4]CC)(C[6]C[6]C)(H)	C(C[6]C[4,6]C[6])(H)2	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(CHH){3|C<3>,3|C<4>}	C[4,6](C[4,6]C[6a]C[4]C[6])(C[4]C[4]CC)(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[4,6]C[6])(H)2	121.4840	0.000	1	121.4840	0.000	1	121.4840	0.000	1	121.4840	0.000	1	119.1265	8.226	6	120.8925	5.957	30
762	478	941	0:SP2_SP2_SP3	C[6]	C[4,6]	N	4:3:2:	4:4:2:3:	3:3:	C[4,6]-4:C[6]-3:N-2:	C[4]-4:C[4]-4:O[6]-2:C[6]-3:	C[6]-3:N-3:	C[6](C[4,6]C[4]2O[6])(C[6]C[6]H)(NN)	C[4,6](C[4]C[4]HH)2(O[6]C[5,6])(C[6]C[6]N)	N(C[6]C[4,6]C[6])(NC[6a]H)	C[6](C[4,6]C[4]2O[6])(C[6]C[6]H)(NN){2|C<4>,5|H<1>}	C[4,6](C[4]C[4]HH)2(O[6]C[5,6])(C[6]C[6]N){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N(C[6]C[4,6]C[6])(NC[6a]H)	116.6580	0.632	2	116.6580	0.400	2	116.6580	0.400	2	116.6580	0.400	2	116.6580	0.400	2	116.6580	0.400	2
762	478	951	0:SP2_SP-NON_SP3	C[3x6]	C[4,3x6]	H	4:3:1:	3:2:3:3:	3:	C[4,3x6]-4:C[3x6]-3:H-1:	C[4,4,6,6]-3:C[4,6]-2:C[3x6]-3:C-3:	C[3x6]-3:	C[3x6](C[4,3x6]C[4,4,6,6]C[4,6]C)(C[3x6]C[4,3x6]H)(H)	C[4,3x6](C[4,4,6,6]C[4,4,6,6]C[4,6])(C[4,6]C[4,4,6,6])(C[3x6]C[3x6]H)(CC[5a]2)	H(C[3x6]C[4,3x6]C[3x6])	C[3x6](C[4,3x6]C[4,4,6,6]C[4,6]C)(C[3x6]C[4,3x6]H)(H){1|C<2>,1|C<3>,1|C<4>}	C[4,3x6](C[4,4,6,6]C[4,4,6,6]C[4,6])(C[4,6]C[4,4,6,6])(C[3x6]C[3x6]H)(CC[5a]2){1|C<4>,1|H<1>}	H(C[3x6]C[4,3x6]C[3x6])	121.4560	0.000	1	121.4560	0.000	1	121.4560	0.000	1	121.4560	0.000	1	117.5975	29.776	2	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[3x6]	C[4,3x6]	H	4:3:1:	3:2:3:4:	3:	C[4,3x6]-4:C[3x6]-3:H-1:	C[4,4,6,6]-3:C[4,6]-2:C[3x6]-3:C-4:	C[3x6]-3:	C[3x6](C[4,3x6]C[4,4,6,6]C[4,6]C)(C[3x6]C[4,3x6]H)(H)	C[4,3x6](C[4,4,6,6]C[4,4,6,6]C[4,6])(C[4,6]C[4,4,6,6])(C[3x6]C[3x6]H)(CH3)	H(C[3x6]C[4,3x6]C[3x6])	C[3x6](C[4,3x6]C[4,4,6,6]C[4,6]C)(C[3x6]C[4,3x6]H)(H){1|C<2>,2|C<3>}	C[4,3x6](C[4,4,6,6]C[4,4,6,6]C[4,6])(C[4,6]C[4,4,6,6])(C[3x6]C[3x6]H)(CH3){1|C<4>,1|H<1>}	H(C[3x6]C[4,3x6]C[3x6])	113.7390	0.000	1	113.7390	0.000	1	113.7390	0.000	1	113.7390	0.000	1	117.5975	29.776	2	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6,6]	C[4,4,3x6]	H	4:3:1:	4:4:3:3:	3:	C[4,4,3x6]-4:C[6,6]-3:H-1:	C[3,4,4,6]-4:C[4,4,3x6]-4:C[3,4,4]-3:C[6,6]-3:	C[6,6]-3:	C[6,6](C[4,4,3x6]C[3,4,4,6]C[4,4,3x6]C[3,4,4])(C[6,6]C[4,4,6,6]H)(H)	C[4,4,3x6](C[3,4,4,6]H[3,3,4]2C[6])(C[4,4,3x6]C[3x4,6]2C[6])(C[3,4,4]H[3,3,4]2)(C[6,6]C[6,6]H)	H(C[6,6]C[4,4,3x6]C[6,6])	C[6,6](C[4,4,3x6]C[3,4,4,6]C[4,4,3x6]C[3,4,4])(C[6,6]C[4,4,6,6]H)(H){1|C<4>,1|H<1>,2|H<3>,3|C<3>}	C[4,4,3x6](C[3,4,4,6]H[3,3,4]2C[6])(C[4,4,3x6]C[3x4,6]2C[6])(C[3,4,4]H[3,3,4]2)(C[6,6]C[6,6]H){1|C<4>,1|H<2>,2|C<3>,3|H<1>}	H(C[6,6]C[4,4,3x6]C[6,6])	122.2510	0.000	1	122.2510	0.000	1	122.2510	0.000	1	122.2510	0.000	1	122.2510	0.000	1	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6,6]	C[4,4,6,6]	H	4:3:1:	4:3:3:1:	3:	C[4,4,6,6]-4:C[6,6]-3:H-1:	C[3x4,6]-4:C[3x4,6]-3:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[4,4,6,6]C[3x4,6]2H)(C[6,6]C[4,4,3x6]H)(H)	C[4,4,6,6](C[3x4,6]C[4,4,3x6]H[4,4]H)(C[3x4,6]C[4,4,3x6]H[4,4])(C[6,6]C[6,6]H)(H)	H(C[6,6]C[4,4,6,6]C[6,6])	C[6,6](C[4,4,6,6]C[3x4,6]2H)(C[6,6]C[4,4,3x6]H)(H){1|C<3>,1|H<1>,1|H<2>,2|C<4>}	C[4,4,6,6](C[3x4,6]C[4,4,3x6]H[4,4]H)(C[3x4,6]C[4,4,3x6]H[4,4])(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6,6]C[4,4,6,6]C[6,6])	115.8630	0.000	1	115.8630	0.000	1	115.8630	0.000	1	115.8630	0.000	1	115.8630	0.000	1	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6,6]	C[4,4x6]	H	4:3:1:	4:4:3:1:	3:	C[4,4x6]-4:C[6,6]-3:H-1:	C[4,4,4x6]-4:C[4,4,4x6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[4,4x6]C[4,4,4x6]2H)(C[6,6]C[4,4x6]C)(H)	C[4,4x6](C[4,4,4x6]C[4,4,4x6]C[3x4,6]C)(C[4,4,4x6]C[4,4,4x6]C[3x4,6]H)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[4,4x6]C[6,6])	C[6,6](C[4,4x6]C[4,4,4x6]2H)(C[6,6]C[4,4x6]C)(H){2|H<1>,4|C<4>}	C[4,4x6](C[4,4,4x6]C[4,4,4x6]C[3x4,6]C)(C[4,4,4x6]C[4,4,4x6]C[3x4,6]H)(C[6,6]C[6,6]H)(H){1|C<2>,2|H<1>,3|C<4>}	H(C[6,6]C[4,4x6]C[6,6])	121.4270	0.000	1	121.4270	0.000	1	121.4270	0.000	1	121.4270	0.000	1	121.4270	0.000	1	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6,6]	C[4,5,4x6]	H	4:3:1:	3:3:4:3:	3:	C[4,5,4x6]-4:C[6,6]-3:H-1:	C[4,5,5,6,6]-3:C[4,5,5,6,6]-3:C[5,6,6]-4:C[6,6]-3:	C[6,6]-3:	C[6,6](C[4,5,4x6]C[4,5,5,6,6]2C[5,6,6])(C[6,6]N[6,6]C[6])(H)	C[4,5,4x6](C[4,5,5,6,6]C[4,5,5,6]C[4,5,6,6])2(C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]H)	H(C[6,6]C[4,5,4x6]C[6,6])	C[6,6](C[4,5,4x6]C[4,5,5,6,6]2C[5,6,6])(C[6,6]N[6,6]C[6])(H){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[4,5,4x6](C[4,5,5,6,6]C[4,5,5,6]C[4,5,6,6])2(C[5,6,6]C[5,6]2H)(C[6,6]C[6,6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[4,5,4x6]C[6,6])	120.4790	0.000	1	120.4790	0.000	1	120.4790	0.000	1	120.4790	0.000	1	120.4790	0.000	1	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,4,3x6]	H	4:3:1:	4:4:3:3:	3:	C[4,4,3x6]-4:C[6]-3:H-1:	C[4,4,3x6]-4:C[3x4,6]-4:C[3x4,6]-3:C[6]-3:	C[6]-3:	C[6](C[4,4,3x6]C[4,4,3x6]C[3x4,6]2)(C[6]C[6]H)(H)	C[4,4,3x6](C[4,4,3x6]C[3,4,4,6]C[3,4,4]C[6,6])(C[3x4,6]C[4,4,6,6]H[4,4]H)(C[3x4,6]C[4,4,6,6]H[4,4])(C[6]C[6]H)	H(C[6]C[4,4,3x6]C[6])	C[6](C[4,4,3x6]C[4,4,3x6]C[3x4,6]2)(C[6]C[6]H)(H){1|H<1>,1|H<2>,2|C<4>,3|C<3>}	C[4,4,3x6](C[4,4,3x6]C[3,4,4,6]C[3,4,4]C[6,6])(C[3x4,6]C[4,4,6,6]H[4,4]H)(C[3x4,6]C[4,4,6,6]H[4,4])(C[6]C[6]H){2|C<3>,2|H<3>,3|H<1>}	H(C[6]C[4,4,3x6]C[6])	122.6960	0.000	1	122.6960	0.000	1	122.6960	0.000	1	122.6960	0.000	1	122.6960	0.000	1	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,4,6]	H	4:3:1:	3:3:3:3:	3:	C[4,4,6]-4:C[6,6]-3:H-1:	O[5x4]-3:O[5x4]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[4,4,6]O[5x4]2C[6])(C[6,6]C[6,6]C[6])(H)	C[4,4,6](O[5x4]C[3,7x4]C[7x4])2(C[6]C[6,6]H)(C[6]C[6]O)	H(C[6]C[4,4,6]C[6,6])	C[6](C[4,4,6]O[5x4]2C[6])(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|C<6>,2|H<1>}	C[4,4,6](O[5x4]C[3,7x4]C[7x4])2(C[6]C[6,6]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<3>,1|O<2>,2|H<2>,3|H<1>}	H(C[6]C[4,4,6]C[6,6])	119.3250	0.000	1	119.3250	0.000	1	119.3250	0.000	1	119.3250	0.000	1	119.2673	0.047	3	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,4,6]	H	4:3:1:	4:4:3:3:	3:	C[4,4,6]-4:C[6]-3:H-1:	C[3x4,6]-4:C[3x4]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[4,4,6]C[3x4,6]C[3x4]C[6])(C[6]C[6]H)(H)	C[4,4,6](C[3x4,6]C[4,4,6,6]H[4,4]H[6])(C[3x4]C[4,4,6,6]H[4,4]C)(C[6]C[6]H)2	H(C[6]C[4,4,6]C[6])	C[6](C[4,4,6]C[3x4,6]C[3x4]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>,2|H<2>}	C[4,4,6](C[3x4,6]C[4,4,6,6]H[4,4]H[6])(C[3x4]C[4,4,6,6]H[4,4]C)(C[6]C[6]H)2{2|H<1>,3|C<3>}	H(C[6]C[4,4,6]C[6])	119.2385	0.298	2	119.2385	0.089	2	119.2385	0.089	2	119.2385	0.089	2	119.2673	0.047	3	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,5,6,6]	H	4:3:1:	4:4:2:3:	3:	C[4,5,6,6]-4:C[6]-3:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:O[5,6]-2:C[6]-3:	C[6]-3:	C[6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[6]C[6]H)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(O[5,6]C[5,3x6])(C[6]C[6]H)	H(C[6]C[4,5,6,6]C[6])	C[6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[6]C[6]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(O[5,6]C[5,3x6])(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[4,5,6,6]C[6])	119.4340	0.000	1	119.4340	0.000	1	119.4340	0.000	1	119.4340	0.000	1	119.6030	1.166	5	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,5,6,6]	H	4:3:1:	4:4:3:3:	3:	C[4,5,6,6]-4:C[6]-3:H-1:	C[4,5,6,6]-4:C[4,5,5,6]-4:C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[6]C[3x6]H)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[3x6]O[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(C[6]C[6]H)	H(C[6]C[4,5,6,6]C[6])	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[6]C[3x6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[4,5,6,6](C[4,5,6,6]C[4,5,5,6]C[3x6]O[5,6])(C[4,5,5,6]C[4,5,5,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]O)(C[6]C[6]H){5|C<4>,5|H<1>}	H(C[6]C[4,5,6,6]C[6])	118.4660	0.000	1	118.4660	0.000	1	118.4660	0.000	1	119.6453	1.542	4	119.6030	1.166	5	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,5,6,6]	H	4:3:1:	4:4:3:3:	3:	C[4,5,6,6]-4:C[6]-3:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[6]C[3x6]H)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[6]C[6]H)	H(C[6]C[4,5,6,6]C[6])	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[6]C[3x6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]C[3x6]O[5,6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[6]C[6]H){1|C<2>,4|H<1>,5|C<4>}	H(C[6]C[4,5,6,6]C[6])	119.2150	0.000	1	119.2150	0.000	1	119.3640	0.044	2	119.6453	1.542	4	119.6030	1.166	5	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,5,6,6]	H	4:3:1:	4:4:3:3:	3:	C[4,5,6,6]-4:C[6]-3:H-1:	C[4,5,6,6]-4:C[4,5,6,6]-4:C[5,6]-3:C[6]-3:	C[6]-3:	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[6]C[6]H)(H)	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]O[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[6]C[6]H)	H(C[6]C[4,5,6,6]C[6])	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[4,5,6,6](C[4,5,6,6]C[4,5,6,6]O[5,6]C[6])(C[4,5,6,6]C[4,5,6,6]C[5,3x6]H)(C[5,6]C[5,3x6]O)(C[6]C[6]H){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[4,5,6,6]C[6])	119.5130	0.000	1	119.5130	0.000	1	119.3640	0.044	2	119.6453	1.542	4	119.6030	1.166	5	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,5,6,6]	H	4:3:1:	4:4:3:3:	3:	C[4,5,6,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[4,5,6]-4:C[4,6a]-3:C[6]-3:	C[6]-3:	C[6](C[4,5,6,6]C[5,5,6,6]C[4,5,6]C[4,6a])(C[6]C[6]H)(H)	C[4,5,6,6](C[5,5,6,6]C[5,6,6a]O[5,5]C[6])(C[4,5,6]C[5,5,6]C[4,6a]H)(C[4,6a]C[4,6a]C[6a])(C[6]C[6]H)	H(C[6]C[4,5,6,6]C[6])	C[6](C[4,5,6,6]C[5,5,6,6]C[4,5,6]C[4,6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[4,5,6,6](C[5,5,6,6]C[5,6,6a]O[5,5]C[6])(C[4,5,6]C[5,5,6]C[4,6a]H)(C[4,6a]C[4,6a]C[6a])(C[6]C[6]H){4|H<1>,5|C<3>}	H(C[6]C[4,5,6,6]C[6])	121.3870	0.000	1	121.3870	0.000	1	121.3870	0.000	1	119.6453	1.542	4	119.6030	1.166	5	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,5,6]	H	4:3:1:	4:4:3:2:	3:	C[4,5,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[4,5,6]-4:C[6]-3:O[4]-2:	C[6]-3:	C[6](C[4,5,6]C[3,5,6]C[4,5,6]O[4])(C[6]C[6]C)(H)	C[4,5,6](C[3,5,6]C[3,6]C[5]O[3])(C[4,5,6]C[5,6]C[4]C[6])(C[6]C[6]H)(O[4]C[4])	H(C[6]C[4,5,6]C[6])	C[6](C[4,5,6]C[3,5,6]C[4,5,6]O[4])(C[6]C[6]C)(H){1|O<1>,1|O<2>,5|C<4>}	C[4,5,6](C[3,5,6]C[3,6]C[5]O[3])(C[4,5,6]C[5,6]C[4]C[6])(C[6]C[6]H)(O[4]C[4]){1|C<3>,3|C<4>,8|H<1>}	H(C[6]C[4,5,6]C[6])	119.2340	0.101	3	119.2340	0.010	3	119.2340	0.010	3	119.2340	0.010	3	118.5086	0.904	8	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,5,6]	H	4:3:1:	4:4:3:3:	3:	C[4,5,6]-4:C[6]-3:H-1:	C[4,5,6]-4:C[5]-4:C[4]-3:C[6]-3:	C[6]-3:	C[6](C[4,5,6]C[4,5,6]C[4]C[5])(C[6]C[6]H)(H)	C[4,5,6](C[4,5,6]C[4]C[5]C[6])(C[5]C[5]HH)(C[4]C[4]C)(C[6]C[6]H)	H(C[6]C[4,5,6]C[6])	C[6](C[4,5,6]C[4,5,6]C[4]C[5])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[4,5,6](C[4,5,6]C[4]C[5]C[6])(C[5]C[5]HH)(C[4]C[4]C)(C[6]C[6]H){1|C<2>,1|C<3>,6|H<1>}	H(C[6]C[4,5,6]C[6])	118.0507	1.121	4	118.0507	1.257	4	118.0507	1.257	4	118.0734	0.945	5	118.5086	0.904	8	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,5,6]	H	4:3:1:	4:4:3:3:	3:	C[4,5,6]-4:C[6]-3:H-1:	C[4,5]-4:C[5,6]-4:C[6]-3:N[4]-3:	C[6]-3:	C[6](C[4,5,6]C[4,5]C[5,6]N[4])(C[6]C[6]H)(H)	C[4,5,6](C[4,5]C[4]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]H)(N[4]C[4]C)	H(C[6]C[4,5,6]C[6])	C[6](C[4,5,6]C[4,5]C[5,6]N[4])(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[4,5,6](C[4,5]C[4]C[5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]H)(N[4]C[4]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[4,5,6]C[6])	118.1640	0.000	1	118.1640	0.000	1	118.1640	0.000	1	118.0734	0.945	5	118.5086	0.904	8	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6,6]	H	4:3:1:	4:4:4:3:	3:	C[4,6,6]-4:C[6]-3:H-1:	C[4,3x6]-4:C[4]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[4,6,6]C[4,3x6]C[4]C[6])(C[6]C[6]H)(H)	C[4,6,6](C[4,3x6]C[6,6]N[6,6]C[4])(C[4]C[4]CC)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[4,6,6]C[6])	C[6](C[4,6,6]C[4,3x6]C[4]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[4,6,6](C[4,3x6]C[6,6]N[6,6]C[4])(C[4]C[4]CC)(C[6]C[6]HH)(C[6]C[6]H){4|C<4>,6|H<1>}	H(C[6]C[4,6,6]C[6])	118.2310	0.000	1	118.2310	0.000	1	118.2310	0.000	1	118.2310	0.000	1	118.2310	0.000	1	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	3:4:1:	4:3:3:1:	3:	C[5,6,6]-3:C[4,6]-4:H-1:	C[4,6]-4:C[6]-3:C[4]-3:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[4,6]C[4,6]C[4]H)(H)	C[4,6](C[4,6]C[4]C[6]O)(C[6]C[5,6,6]H)(C[4]C[4]H)(H)	H(C[6]C[5,6,6]C[4,6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[4,6]C[4,6]C[4]H)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[4,6](C[4,6]C[4]C[6]O)(C[6]C[5,6,6]H)(C[4]C[4]H)(H){2|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[4,6])	119.7410	0.000	1	119.7410	0.000	1	119.7410	0.000	1	119.7410	0.000	1	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	3:4:1:	4:4:3:1:	3:	C[5,6]-3:C[4,6]-4:H-1:	C[4,6]-4:C[4,5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[5,6]C[5,6,6a]C[5,6a])(C[4,6]C[4,5]C[4,6]H)(H)	C[4,6](C[4,6]C[6,6a]C[4,5]H)(C[4,5]C[4,5]C[5]H)(C[6]C[5,6]H)(H)	H(C[6]C[4,6]C[5,6])	C[6](C[5,6]C[5,6,6a]C[5,6a])(C[4,6]C[4,5]C[4,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[4,6](C[4,6]C[6,6a]C[4,5]H)(C[4,5]C[4,5]C[5]H)(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[4,6]C[5,6])	119.8800	0.228	5	119.8800	0.052	5	119.8800	0.052	5	119.8800	0.052	5	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	3:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-3:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(H)	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,4|H<1>}	C[4,6](C[4,6]C[4]C[6])(C[4]C[4]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[4,6]C[6])	120.3970	0.000	1	120.3970	0.000	1	120.3970	0.000	1	119.5910	1.299	2	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	3:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[6a]N[6])(H)	C[4,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,5|C<3>}	C[4,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[4,6]C[6])	118.7850	0.000	1	118.7850	0.000	1	118.7850	0.000	1	119.5910	1.299	2	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:2:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,4,6]-4:H[4]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,4,6]H[4]H)(C[6]C[3,6]H)(H)	C[4,6](C[4,4,6]C[3,4,6]C[4,4]H)(H[4]C[4,4])(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,4,6]H[4]H)(C[6]C[3,6]H)(H){1|C<3>,1|C<4>,1|C<5>,1|H<1>,1|O<4>}	C[4,6](C[4,4,6]C[3,4,6]C[4,4]H)(H[4]C[4,4])(C[6]C[6]H)(H){1|C<4>,1|O<4>,4|H<1>}	H(C[6]C[4,6]C[6])	121.7640	0.000	1	121.7640	0.000	1	121.7640	0.000	1	121.7640	0.000	1	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:2:3:3:	3:	C[4,6]-4:C[6]-3:H-1:	C[3,4]-4:O[4]-2:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[4,6]C[3,4]C[6]O[4])(C[6]C[6]Cl)(H)	C[4,6](C[3,4]C[3,4]C[3]2)(O[4]C[3,4])(C[6]C[6]H)2	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[3,4]C[6]O[4])(C[6]C[6]Cl)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[4,6](C[3,4]C[3,4]C[3]2)(O[4]C[3,4])(C[6]C[6]H)2{2|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[4,6]C[6])	119.0590	0.024	2	119.0590	0.001	2	119.0590	0.001	2	119.0590	0.001	2	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:3:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,5,6]-4:C[4,6a]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[6]C)(H)	C[4,6](C[4,5,6]C[4,6a]C[5,6]O[5])(C[4,6a]C[4,6a]C[6a])(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[4,6](C[4,5,6]C[4,6a]C[5,6]O[5])(C[4,6a]C[4,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[4,6]C[6])	117.5600	0.000	1	117.5600	0.000	1	117.5600	0.000	1	117.9530	0.717	11	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:3:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,5,6]-4:C[4]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]C)(H)	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[4]C[4,5]O)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|C<4>}	C[4,6](C[4,5,6]C[4,5]C[5,6]H)(C[4]C[4,5]O)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6])	117.5440	0.000	1	117.5440	0.000	1	117.6920	0.044	2	117.9530	0.717	11	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:3:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,5,6]-4:C[4]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]H)(H)	C[4,6](C[4,5,6]C[4,5]C[5,6]C)(C[4]C[4,5]O)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<4>}	C[4,6](C[4,5,6]C[4,5]C[5,6]C)(C[4]C[4,5]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[4,6]C[6])	117.8400	0.000	1	117.8400	0.000	1	117.6920	0.044	2	117.9530	0.717	11	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:3:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6,6]-4:C[4]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6a]Br)(H)	C[4,6](C[4,6,6]C[6,6,6a]C[4]C[6])(C[4]C[4]H)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6a]Br)(H){1|H<1>,4|C<3>}	C[4,6](C[4,6,6]C[6,6,6a]C[4]C[6])(C[4]C[4]H)(C[6]C[6]H)(H){1|Br<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[4,6]C[6])	118.8010	0.000	1	118.8010	0.000	1	118.3617	0.146	3	117.9530	0.717	11	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:3:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6,6]-4:C[4]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6a]H)(H)	C[4,6](C[4,6,6]C[6,6,6a]C[4]C[6])(C[4]C[4]C)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6a]H)(H){1|C<4>,4|C<3>}	C[4,6](C[4,6,6]C[6,6,6a]C[4]C[6])(C[4]C[4]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[4,6]C[6])	118.1020	0.000	1	118.1020	0.000	1	118.3617	0.146	3	117.9530	0.717	11	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:3:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6,6]-4:C[4]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6a]H)(H)	C[4,6](C[4,6,6]C[6,6,6a]C[4]C[6])(C[4]C[4]H)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	C[4,6](C[4,6,6]C[6,6,6a]C[4]C[6])(C[4]C[4]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[4,6]C[6])	118.1820	0.000	1	118.1820	0.000	1	118.3617	0.146	3	117.9530	0.717	11	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:3:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]H)(H)	C[4,6](C[4,6]C[5,6]C[4]C)(C[4]C[4]O)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]H)(H){1|H<1>,1|O<1>,4|C<4>}	C[4,6](C[4,6]C[5,6]C[4]C)(C[4]C[4]O)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6])	118.0810	0.000	1	118.0810	0.000	1	117.8908	1.506	5	117.9530	0.717	11	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:3:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]C)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]O)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[4]O)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6])	117.3170	1.731	2	117.3170	2.996	2	117.8908	1.506	5	117.9530	0.717	11	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:3:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]C)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4])(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[4,6]C[6])	117.4010	0.000	1	117.4010	0.000	1	117.8908	1.506	5	117.9530	0.717	11	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:3:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(H)	C[4,6](C[4,6]C[6]O[4]H)(C[4]O[4]O)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[4,6](C[4,6]C[6]O[4]H)(C[4]O[4]O)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,2|H<1>}	H(C[6]C[4,6]C[6])	119.3380	0.000	1	119.3380	0.000	1	117.8908	1.506	5	117.9530	0.717	11	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:3:3:2:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4,6a]-3:C[6]-3:O-2:	C[6]-3:	C[6](C[4,6]C[4,6a]C[4,6]O)(C[6]C[4,6]H)(H)	C[4,6](C[4,6]C[4,6a]C[4,6]H)(C[4,6a]C[4,6a]C[6a])(C[6]C[6]H)(OC)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6a]C[4,6]O)(C[6]C[4,6]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[4,6](C[4,6]C[4,6a]C[4,6]H)(C[4,6a]C[4,6a]C[6a])(C[6]C[6]H)(OC){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[4,6]C[6])	117.4895	0.062	2	117.4895	0.004	2	117.4895	0.004	2	117.4895	0.004	2	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:3:3:3:	3:	C[4,6]-4:C[6]-3:H-1:	C[4]-4:C[4]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[4,6]C[4]2C[6])(C[6]N[6]H)(H)	C[4,6](C[4]N[4]CH)(C[4]N[4]O)(C[6]C[6]H)2	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4]2C[6])(C[6]N[6]H)(H){1|N<3>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[4,6](C[4]N[4]CH)(C[4]N[4]O)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[4,6]C[6])	118.0720	0.098	2	118.0720	0.010	2	118.0720	0.010	2	118.1707	0.033	4	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:3:3:3:	3:	C[4,6]-4:C[6]-3:H-1:	C[4]-4:C[6]-3:C[6]-3:N[4]-3:	C[6]-3:	C[6](C[4,6]C[4]C[6]N[4])(C[6]C[6]H)(H)	C[4,6](C[4]C[4]CH)(C[6]C[6]H)2(N[4]C[4]C)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4]C[6]N[4])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[4,6](C[4]C[4]CH)(C[6]C[6]H)2(N[4]C[4]C){1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[4,6]C[6])	118.2695	0.224	2	118.2695	0.050	2	118.2695	0.050	2	118.1707	0.033	4	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,5,5,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,5,5,6]C[4]H)(C[6]C[5,6]H)(H)	C[4,6](C[4,5,5,6]C[4,5,5]C[5,6a]O[5,6])(C[4]C[4,5,5]HH)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,5,5,6]C[4]H)(C[6]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[4,6](C[4,5,5,6]C[4,5,5]C[5,6a]O[5,6])(C[4]C[4,5,5]HH)(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[4,6]C[6])	120.1310	0.000	1	120.1310	0.000	1	120.1310	0.000	1	118.6063	1.312	20	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,5,5]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,5,5]C[4,6]H)(C[6]C[6]C)(H)	C[4,6](C[4,5,5]C[4,5]C[5,5]C[5])(C[4,6]C[4,5]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,5,5]C[4,6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,3|H<1>}	C[4,6](C[4,5,5]C[4,5]C[5,5]C[5])(C[4,6]C[4,5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,8|C<4>}	H(C[6]C[4,6]C[6])	118.6520	0.000	1	118.6520	0.000	1	118.6520	0.000	1	118.6063	1.312	20	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,5,6,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,5,6,6]C[4]H)(C[6]C[6]O)(H)	C[4,6](C[4,5,6,6]C[6,6]N[4,5]N[5,6])(C[4]N[4,5]C[6a]H)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,5,6,6]C[4]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[4,6](C[4,5,6,6]C[6,6]N[4,5]N[5,6])(C[4]N[4,5]C[6a]H)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	H(C[6]C[4,6]C[6])	119.6120	0.000	1	119.6120	0.000	1	119.6120	0.000	1	118.6063	1.312	20	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,5,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[6]H)(H)	C[4,6](C[4,5,6]C[4,5,6]C[5]C[6])(C[4,6]C[4,5,6]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[6]H)(H){3|H<1>,4|C<4>}	C[4,6](C[4,5,6]C[4,5,6]C[5]C[6])(C[4,6]C[4,5,6]C[6]H)(C[6]C[6]H)(H){1|Cl<1>,4|C<4>,7|H<1>}	H(C[6]C[4,6]C[6])	121.0890	0.000	1	121.0890	0.000	1	121.0890	0.000	1	118.6063	1.312	20	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,5,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]N[6]H)(H)	C[4,6](C[4,5,6]C[4,5]C[5]C[6])(C[4]C[4,5]CC)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]N[6]H)(H){1|C<2>,1|C<3>,4|C<4>}	C[4,6](C[4,5,6]C[4,5]C[5]C[6])(C[4]C[4,5]CC)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[4,6]C[6])	119.4540	0.000	1	119.4540	0.000	1	119.4540	0.000	1	118.6063	1.312	20	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6,6]-4:B[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6,6]B[4]H)(C[6]C[6]C)(H)	C[4,6](C[4,6,6]C[6,6]N[4,5]C[6])(B[4]N[4,5]C[6a]2)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6,6]B[4]H)(C[6]C[6]C)(H){1|N<4>,2|C<3>,2|C<4>,2|H<1>}	C[4,6](C[4,6,6]C[6,6]N[4,5]C[6])(B[4]N[4,5]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>,6|C<4>}	H(C[6]C[4,6]C[6])	118.0840	0.000	1	118.0840	0.000	1	117.8927	0.052	3	118.6063	1.312	20	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6,6]-4:B[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6,6]B[4]H)(C[6]C[6]C)(H)	C[4,6](C[4,6,6]C[6,6]N[4,6]C[6])(B[4]N[4,6]C[6a]2)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6,6]B[4]H)(C[6]C[6]C)(H){1|N<4>,2|C<3>,2|C<4>,2|H<1>}	C[4,6](C[4,6,6]C[6,6]N[4,6]C[6])(B[4]N[4,6]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>,6|C<4>}	H(C[6]C[4,6]C[6])	117.7970	0.221	2	117.7970	0.049	2	117.8927	0.052	3	118.6063	1.312	20	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4,5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[5,6]H)(H)	C[4,6](C[4,6]C[4,5]C[5,6]H)(C[4,5]C[4,5]C[5]O)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[5,6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[4,6](C[4,6]C[4,5]C[5,6]H)(C[4,5]C[4,5]C[5]O)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[4,6]C[6])	118.1750	0.000	1	118.1750	0.000	1	118.1750	0.000	1	118.6063	1.312	20	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4,6]-4:C[6]-3:Cl-1:	C[6]-3:	C[6](C[4,6]C[4,6]2Cl)(C[6]C[6]H)(H)	C[4,6](C[4,6]C[4,6]N[6]H)2(C[6]C[6]H)(Cl)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]2Cl)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[4,6](C[4,6]C[4,6]N[6]H)2(C[6]C[6]H)(Cl){1|Cl<1>,3|C<3>,3|H<1>}	H(C[6]C[4,6]C[6])	118.7580	0.045	2	118.7580	0.002	2	118.7580	0.002	2	118.6063	1.312	20	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]C)(H)	C[4,6](C[4,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]C)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4,6]C[5,6]H)(C[4,6]C[4,6]C[6]H)(C[6]C[6]H)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[4,6]C[6])	117.2057	0.065	3	117.2057	0.004	3	117.2057	0.004	3	118.6063	1.312	20	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[3x6]H)(H)	C[4,6](C[4,6]C[3x6]C[4]H)(C[4]C[4]CH)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[3x6]H)(H){3|H<1>,4|C<4>}	C[4,6](C[4,6]C[3x6]C[4]H)(C[4]C[4]CH)(C[6]C[6]H)(H){3|C<4>,3|H<1>}	H(C[6]C[4,6]C[6])	117.9940	0.000	1	117.9940	0.000	1	118.2554	0.237	5	118.6063	1.312	20	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]H)(H)	C[4,6](C[4,6]C[4,5]C[6]H)(C[4]C[4,5]CC)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,2|S<2>,3|C<4>}	C[4,6](C[4,6]C[4,5]C[6]H)(C[4]C[4,5]CC)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[4,6]C[6])	118.2320	0.000	1	118.2320	0.000	1	118.2554	0.237	5	118.6063	1.312	20	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]H)(H)	C[4,6](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,2|S<2>,3|C<4>}	C[4,6](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[4,6]C[6])	118.2940	0.000	1	118.2940	0.000	1	118.2554	0.237	5	118.6063	1.312	20	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]H)(H)	C[4,6](C[4,6]C[5,6]C[4]H)(C[4]C[4]BrH)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]H)(H){1|Br<1>,1|N<3>,2|C<4>,3|H<1>}	C[4,6](C[4,6]C[5,6]C[4]H)(C[4]C[4]BrH)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[4,6]C[6])	117.7280	0.000	1	117.7280	0.000	1	118.2554	0.237	5	118.6063	1.312	20	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(H)	C[4,6](C[4,6]C[4]N[6]H)(C[4]C[4]HS)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|S<4>,2|H<1>}	C[4,6](C[4,6]C[4]N[6]H)(C[4]C[4]HS)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[4,6]C[6])	119.0290	0.000	1	119.0290	0.000	1	118.2554	0.237	5	118.6063	1.312	20	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:Si[4]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,6]Si[4]H)(C[6]C[6,6a]H)(H)	C[4,6](C[4,6]C[6,6a]Si[4]H)(Si[4]Si[4]BrN)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]Si[4]H)(C[6]C[6,6a]H)(H){1|Br<1>,1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[4,6](C[4,6]C[6,6a]Si[4]H)(Si[4]Si[4]BrN)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[4,6]C[6])	120.9250	0.000	1	120.9250	0.000	1	120.9250	0.000	1	118.6063	1.312	20	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:4:3:2:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:C[6]-3:O-2:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6,6a]H)(H)	C[4,6](C[4,6]C[6,6a]C[4]C)(C[4]C[4]CH)(C[6]C[6]H)(OC)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]C[4]O)(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[4,6](C[4,6]C[6,6a]C[4]C)(C[4]C[4]CH)(C[6]C[6]H)(OC){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[4,6]C[6])	118.7510	0.000	1	118.7510	0.000	1	118.7510	0.000	1	118.6765	0.011	2	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:4:3:2:	3:	C[4,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[4]-4:C[6]-3:O[4]-2:	C[6]-3:	C[6](C[4,6]C[5,6,6]C[4]O[4])(C[6]C[6]H)(H)	C[4,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[4]C[4]HH)(C[6]C[6]H)(O[4]C[4])	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[5,6,6]C[4]O[4])(C[6]C[6]H)(H){1|O<1>,3|C<4>,3|H<1>}	C[4,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[4]C[4]HH)(C[6]C[6]H)(O[4]C[4]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[4,6]C[6])	118.6020	0.000	1	118.6020	0.000	1	118.6020	0.000	1	118.6765	0.011	2	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:4:3:3:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,5,6]-4:C[4]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[4,6]C[4,5,6]C[4]C)(C[6]C[6,6a]H)(H)	C[4,6](C[4,5,6]C[6,6a]C[4,5]O[5])(C[4]C[4,5]HH)(C[6]C[6]H)(CCO)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,5,6]C[4]C)(C[6]C[6,6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[4,6](C[4,5,6]C[6,6a]C[4,5]O[5])(C[4]C[4,5]HH)(C[6]C[6]H)(CCO){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6])	118.1050	0.000	1	118.1050	0.000	1	118.1050	0.000	1	118.1050	0.000	1	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:4:3:4:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[4,6]C[4,6]2C)(C[6]C[6]H)(H)	C[4,6](C[4,6]C[4,6]N[6]H)2(C[6]C[6]H)(CH3)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]2C)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[4,6](C[4,6]C[4,6]N[6]H)2(C[6]C[6]H)(CH3){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[4,6]C[6])	118.4640	0.000	1	118.4640	0.000	1	118.4640	0.000	1	118.3165	0.044	2	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	4:4:3:4:	3:	C[4,6]-4:C[6]-3:H-1:	C[4,6]-4:C[4]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4]H)(C[6]C[6]H)(CH3)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[4,6]C[6])	118.1690	0.000	1	118.1690	0.000	1	118.1690	0.000	1	118.3165	0.044	2	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	6:4:3:1:	3:	C[4,6]-4:C[6]-3:H-1:	C[5x3,4,5x5,20x6]-6:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[5x3,4,5x5,20x6]C[4,6]H)(C[6]C[6]C)(H)	C[4,6](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,6]C[5x3,4,5x5,20x6]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[5x3,4,5x5,20x6]C[4,6]H)(C[6]C[6]C)(H){1|C<4>,1|C<6>,1|H<1>,1|O<1>,4|B<6>}	C[4,6](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[4,6]C[5x3,4,5x5,20x6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,5|B<6>,6|H<1>}	H(C[6]C[4,6]C[6])	117.1700	0.000	1	117.1700	0.000	1	117.1700	0.000	1	117.1700	0.000	1	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	6:4:4:3:	3:	C[4,6]-4:C[6]-3:H-1:	C[5x3,4,5x5,20x6]-6:C[6]-4:C[4]-4:C[6]-3:	C[6]-3:	C[6](C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H)	C[4,6](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[6]C[3x3,4,3x5,14x6]C[6]H)(C[4]C[5x3,4,5x5,20x6]HH)(C[6]C[6]H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|C<6>,4|B<6>,4|H<1>}	C[4,6](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[6]C[3x3,4,3x5,14x6]C[6]H)(C[4]C[5x3,4,5x5,20x6]HH)(C[6]C[6]H){1|C<3>,6|H<1>,9|B<6>}	H(C[6]C[4,6]C[6])	120.6180	0.000	1	120.6180	0.000	1	120.4995	0.028	2	120.4995	0.028	2	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:3:1:	6:4:4:3:	3:	C[4,6]-4:C[6]-3:H-1:	C[5x3,4,5x5,20x6]-6:C[6]-4:C[4]-4:C[6]-3:	C[6]-3:	C[6](C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H)	C[4,6](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[6]C[5x3,5x5,20x6]C[6]H)(C[4]C[5x3,4,5x5,20x6]HH)(C[6]C[6]H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<6>,4|B<6>,4|H<1>}	C[4,6](C[5x3,4,5x5,20x6]C[5x3,4,5x5,20x6]B[5x3,5x5,20x6]4)(C[6]C[5x3,5x5,20x6]C[6]H)(C[4]C[5x3,4,5x5,20x6]HH)(C[6]C[6]H){1|C<3>,1|C<6>,6|H<1>,9|B<6>}	H(C[6]C[4,6]C[6])	120.3810	0.000	1	120.3810	0.000	1	120.4995	0.028	2	120.4995	0.028	2	118.7166	1.405	57	118.8503	2.162	81
762	478	951	0:SP2_SP-NON_SP3	C[6]	C[4,6]	H	4:4:1:	4:4:3:1:	3:	C[4,6]-4:C[6]-4:H-1:	C[4,5]-4:C[4,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6,6]HH)(H)	C[4,6](C[4,5]C[4]C[5]O[5])(C[4,6]C[6,6]C[4]C)(C[6]C[6]H)(H)	H(C[6]C[4,6]C[6])	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6,6]HH)(H){1|C<3>,1|O<2>,5|C<4>}	C[4,6](C[4,5]C[4]C[5]O[5])(C[4,6]C[6,6]C[4]C)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[4,6]C[6])	121.1120	0.000	1	121.1120	0.000	1	121.1120	0.000	1	121.1120	0.000	1	118.7166	1.405	57	118.8503	2.162	81
762	478	983	0:SP2_SP1_SP3	C[6]	C[4,6]	C	4:4:2:	4:4:3:2:	3:3:	C[4,6]-4:C[6]-4:C-2:	C[4,6]-4:C[4]-4:C[6]-3:O-2:	C[6]-3:C-3:	C[6](C[4,6]C[4,6]C[4]O)(C[6]O[6]HH)(CC)	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4]H)(C[6]C[6]C)(OH)	C(C[6]C[4,6]C[6])(CC[6a]2)	C[6](C[4,6]C[4,6]C[4]O)(C[6]O[6]HH)(CC){1|C<3>,2|C<4>,2|H<1>}	C[4,6](C[4,6]C[4]C[6]H)(C[4]C[6a]C[4]H)(C[6]C[6]C)(OH){1|O<2>,2|C<3>,6|H<1>}	C(C[6]C[4,6]C[6])(CC[6a]2)	124.9480	0.000	1	124.9480	0.000	1	124.9480	0.000	1	124.9480	0.000	1	124.9480	0.000	1	124.9480	0.000	1
762	486	486	6:SP2_SP3_SP3	C[6]	C[3,6,6]	C[3,6]	4:4:1:	4:4:3:2:	4:3:2:4:	C[3,6,6]-4:C[3,6]-4:O-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:O[3]-2:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(O)	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6,6]O)(O[3]C[3,6])(CCCH)	C[6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(O){1|O<2>,2|H<1>,3|C<4>}	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6]){1|O<2>,3|H<1>,5|C<4>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6,6]O)(O[3]C[3,6])(CCCH){1|H<1>,2|C<4>,2|O<2>}	117.7680	0.000	1	117.7680	0.000	1	117.7680	0.000	1	117.7680	0.000	1	117.7680	0.000	1	118.9751	0.402	11
762	486	486	6:SP2_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:1:	4:2:3:1:	4:3:2:4:	C[3,6]-4:C[3,6]-4:O-1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(O)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[3,6]O)(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CHHO)	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(O){1|H<1>,2|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[3,6]O)(H){2|H<1>,2|O<2>,4|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CHHO){1|H<1>,2|C<4>,2|O<2>}	118.6650	0.000	1	118.6650	0.000	1	118.6650	0.000	1	118.6650	0.000	1	119.0958	0.269	10	118.9751	0.402	11
762	486	486	6:SP2_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:1:	4:3:2:1:	4:3:2:1:	C[3,6]-4:C[3,6]-4:O-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6](C[3,6]C[3,6]O[3]H)2(O)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(H)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]O[3]H)2(O){1|C<4>,2|H<1>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(H){1|H<1>,2|C<4>,2|O<2>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(H){1|H<1>,2|C<4>,2|O<2>}	118.5730	0.000	1	118.5730	0.000	1	118.5730	0.000	1	118.5730	0.000	1	119.0958	0.269	10	118.9751	0.402	11
762	486	486	6:SP2_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:1:	4:4:3:1:	4:3:2:4:	C[3,6]-4:C[3,6]-4:O-1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]C)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[3,6]O)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CH3)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[3,6]O)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CH3){1|H<1>,1|O<1>,2|C<4>}	118.7680	0.243	4	118.7680	0.059	4	118.7680	0.059	4	118.7680	0.059	4	119.0958	0.269	10	118.9751	0.402	11
762	486	486	6:SP2_SP3_SP3	C[6]	C[3,6]	C[3,6]	4:4:1:	4:4:3:4:	4:3:2:1:	C[3,6]-4:C[3,6]-4:O-1:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]O[3]H)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[3,6]O)(CH3)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]O)(O[3]C[3,6])(H)	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]O[3]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[3,6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]O)(O[3]C[3,6])(H){1|O<1>,3|C<4>}	119.6620	0.153	4	119.6620	0.023	4	119.6620	0.023	4	119.6620	0.023	4	119.0958	0.269	10	118.9751	0.402	11
762	486	490	0:SP2_SP3_SP3	C[6,6]	C[3,6,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[3,6,6]-4:C[6,6]-3:C-4:	C[3,5,6]-4:C[3,5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:H-1:H-1:H-1:	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(CH3)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]C)(H)	C(C[6,6]C[3,6,6]C[6,6])(H)3	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(CH3){1|H<1>,4|C<4>}	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3,6,6]C[6,6])(H)3	117.9440	0.000	1	117.9440	0.000	1	117.9440	0.000	1	117.9440	0.000	1	117.9440	0.000	1	117.8137	2.856	12
762	486	490	0:SP2_SP3_SP3	C[6]	C[3,5,6]	C	4:3:4:	4:3:3:3:	3:1:1:1:	C[3,5,6]-4:C[6]-3:C-4:	C[3,6]-4:N[5,6]-3:P[3,5]-3:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[3,5,6]C[3,6]N[5,6]P[3,5])(C[6]C[6]H)(CH3)	C[3,5,6](C[3,6]P[3,5]C[6]C)(N[5,6]C[5,6]C[6])(P[3,5]C[3,6]C[5])(C[6]C[6]C)	C(C[6]C[3,5,6]C[6])(H)3	C[6](C[3,5,6]C[3,6]N[5,6]P[3,5])(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	C[3,5,6](C[3,6]P[3,5]C[6]C)(N[5,6]C[5,6]C[6])(P[3,5]C[3,6]C[5])(C[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6]C[3,5,6]C[6])(H)3	118.9770	0.000	1	118.9770	0.000	1	118.9770	0.000	1	118.9770	0.000	1	118.2290	1.119	2	117.8137	2.856	12
762	486	490	0:SP2_SP3_SP3	C[6]	C[3,5,6]	C	4:3:4:	4:4:4:3:	3:1:1:1:	C[3,5,6]-4:C[6]-3:C-4:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]H)(CH3)	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)	C(C[6]C[3,5,6]C[6])(H)3	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]H)(CH3){3|C<4>,6|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[3,5,6]C[6])(H)3	117.4810	0.000	1	117.4810	0.000	1	117.4810	0.000	1	117.4810	0.000	1	118.2290	1.119	2	117.8137	2.856	12
762	486	490	0:SP2_SP3_SP3	C[6]	C[3,6,6]	C	4:3:4:	4:4:2:3:	3:1:1:1:	C[3,6,6]-4:C[6]-3:C-4:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[6]-3:H-1:H-1:H-1:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(CH3)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C)	C(C[6]C[3,6,6]C[6])(H)3	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C(C[6]C[3,6,6]C[6])(H)3	118.3500	0.266	3	118.3500	0.071	3	118.3500	0.071	3	118.3500	0.071	3	118.3500	0.071	3	117.8137	2.856	12
762	486	490	0:SP2_SP3_SP3	C[6]	C[3,6]	C	4:3:4:	2:4:4:3:	3:3:1:1:	C[3,6]-4:C[6]-3:C-4:	O[6]-2:C[3]-4:C[3]-4:C[6]-3:	C[6]-3:C-3:H-1:H-1:	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]C)(CCHH)	C[3,6](O[6]C[6,6a])(C[3]C[3]HH)2(C[6]C[6]C)	C(C[6]C[3,6]C[6])(CCH)(H)2	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]C)(CCHH){2|C<3>,4|H<1>}	C[3,6](O[6]C[6,6a])(C[3]C[3]HH)2(C[6]C[6]C){1|C<4>,2|C<3>}	C(C[6]C[3,6]C[6])(CCH)(H)2	118.8030	0.000	1	118.8030	0.000	1	118.8030	0.000	1	118.8030	0.000	1	117.3855	5.565	6	117.8137	2.856	12
762	486	490	0:SP2_SP3_SP3	C[6]	C[3,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[3,6]-4:C[6]-3:C-4:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(CH3)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]C)(H)	C(C[6]C[3,6]C[6])(H)3	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(CH3){1|C<3>,4|C<4>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C(C[6]C[3,6]C[6])(H)3	116.8350	0.000	1	116.8350	0.000	1	116.8350	0.000	1	116.2675	0.644	2	117.3855	5.565	6	117.8137	2.856	12
762	486	490	0:SP2_SP3_SP3	C[6]	C[3,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[3,6]-4:C[6]-3:C-4:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]H)(CH3)	C[3,6](C[3,6]C[5,6]C[3]H)(C[3]C[3,6]OO)(C[6]C[6]C)(H)	C(C[6]C[3,6]C[6])(H)3	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]H)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[5,6]C[3]H)(C[3]C[3,6]OO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[3,6]C[6])(H)3	115.7000	0.000	1	115.7000	0.000	1	115.7000	0.000	1	116.2675	0.644	2	117.3855	5.565	6	117.8137	2.856	12
762	486	490	0:SP2_SP3_SP3	C[6]	C[3,6]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[3,6]-4:C[6]-3:C-4:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:N-3:H-1:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CHHN)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]C)(H)	C(C[6]C[3,6]C[6])(NC[6a]C)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CHHN){2|C<3>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C(C[6]C[3,6]C[6])(NC[6a]C)(H)2	114.8980	0.000	1	114.8980	0.000	1	114.8980	0.000	1	114.8980	0.000	1	117.3855	5.565	6	117.8137	2.856	12
762	486	490	0:SP2_SP3_SP3	C[6]	C[3,6]	C	4:3:4:	4:4:3:1:	4:3:1:1:	C[3,6]-4:C[6]-3:C-4:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]C[6]H)(C[6]C[6]C)(H)	C(C[6]C[6,6]O[6]H)(C[6]C[3,6]C[6])(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH){3|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]C[6]H)(C[6]C[6]C)(H){3|C<4>,4|H<1>}	C(C[6]C[6,6]O[6]H)(C[6]C[3,6]C[6])(H)2	116.6910	0.000	1	116.6910	0.000	1	116.6910	0.000	1	116.6910	0.000	1	117.3855	5.565	6	117.8137	2.856	12
762	486	490	0:SP2_SP3_SP3	C[6]	C[3,6]	C	4:4:3:	4:3:3:2:	4:3:1:1:	C[3,6]-4:C-4:C[6]-3:	C[3]-4:C[6]-3:C[6]-3:O[3]-2:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6](C[3,6]C[3]C[6]O[3])(CC[5,6]HH)(C[6]C[6]H)	C[3,6](C[3]C[5]O[3]H)(C[6]C[6]C)(C[6]C[6]H)(O[3]C[3])	C(C[5,6]C[5,6]C[5]C[6])(C[6]C[3,6]C[6])(H)2	C[6](C[3,6]C[3]C[6]O[3])(CC[5,6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3,6](C[3]C[5]O[3]H)(C[6]C[6]C)(C[6]C[6]H)(O[3]C[3]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(C[6]C[3,6]C[6])(H)2	121.3860	0.000	1	121.3860	0.000	1	121.3860	0.000	1	121.3860	0.000	1	117.3855	5.565	6	117.8137	2.856	12
762	486	606	0:SP2_SP3_SP3	C[6,6]	C[3]	Ge[5,3x6]	4:3:4:	3:4:4:4:	4:3:3:3:	Ge[5,3x6]-4:C[6,6]-3:C[3]-4:	C[6,6]-3:C[3]-4:C[3]-4:C-4:	C[5,3x6]-4:C[5,6a]-3:C[6,6]-3:C[6,6]-3:	C[6,6](Ge[5,3x6]C[5,3x6]C[5,6a]C[6,6])(C[6,6]Ge[3x6]H)(C[3]C[3]2C)	C[3](C[6,6]Ge[5,3x6]C[6,6])(C[3]C[6a]C[3]H)(C[3]C[3]HO)(CH3)	Ge[5,3x6](C[5,3x6]C[3x6]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[3])(C[6,6]C[6,6]H)	C[6,6](Ge[5,3x6]C[5,3x6]C[5,6a]C[6,6])(C[6,6]Ge[3x6]H)(C[3]C[3]2C){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[3](C[6,6]Ge[5,3x6]C[6,6])(C[3]C[6a]C[3]H)(C[3]C[3]HO)(CH3){1|Ge<4>,1|C<4>,1|H<1>,4|C<3>}	Ge[5,3x6](C[5,3x6]C[3x6]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[3])(C[6,6]C[6,6]H){1|Ge<4>,2|H<1>,4|C<4>,5|C<3>}	128.9650	0.000	1	128.9650	0.000	1	128.9650	0.000	1	128.9650	0.000	1	128.9650	0.000	1	128.9650	0.000	1
762	486	622	0:SP2_SP2_SP3	C[6,6]	C[3,6]	O[6]	4:3:2:	3:3:4:2:	3:4:	C[3,6]-4:C[6,6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:C[3]-4:O[3]-2:	C[6,6]-3:C[6]-4:	C[6,6](C[3,6]C[6,6a]C[3]O[3])(C[6,6]C[6]2)(O[6]C[6])	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(C[3]O[3]HH)(O[3]C[3])	O[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]CC)	C[6,6](C[3,6]C[6,6a]C[3]O[3])(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(C[3]O[3]HH)(O[3]C[3]){1|H<1>,2|C<4>,3|C<3>}	O[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]CC){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	111.7300	0.000	1	111.7300	0.000	1	111.7300	0.000	1	111.7300	0.000	1	112.2105	0.462	2	112.2105	0.462	2
762	486	622	0:SP2_SP2_SP3	C[6,6]	C[3,6]	O[6]	4:3:2:	3:4:2:4:	3:4:	C[3,6]-4:C[6,6]-3:O[6]-2:	C[6,6]-3:C[3,6]-4:O[3]-2:C-4:	C[6,6]-3:C[6]-4:	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2)(O[6]C[6])	C[3,6](C[6,6]C[6,6]O[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CC3)	O[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]HH)	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,2|C<4>,5|H<1>}	C[3,6](C[6,6]C[6,6]O[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CC3){1|C<3>,1|O<2>,3|C<4>}	O[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	112.6910	0.000	1	112.6910	0.000	1	112.6910	0.000	1	112.6910	0.000	1	112.2105	0.462	2	112.2105	0.462	2
762	486	622	6:SP2_SP2_SP3	C[6]	C[3,5,6,6]	O[6]	4:2:1:	4:4:4:3:	3:4:	C[3,5,6,6]-4:O[6]-2:O-1:	C[3,3x6]-4:C[3,5,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[5,6])(O[6]C[6])(O)	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]O[6]O)	O[6](C[6]C[3,5,6,6]O)(C[6]C[6,6]HH)	C[6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[5,6])(O[6]C[6])(O){4|C<4>,5|H<1>}	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]O[6]O){4|C<4>,5|H<1>}	O[6](C[6]C[3,5,6,6]O)(C[6]C[6,6]HH){5|C<4>}	118.3300	0.000	1	118.3300	0.000	1	118.3300	0.000	1	118.3300	0.000	1	118.3300	0.000	1	118.4509	2.411	40
762	486	622	6:SP2_SP2_SP3	C[6]	C[3,5,6]	O[6]	4:2:1:	4:4:4:3:	3:4:	C[3,5,6]-4:O[6]-2:O-1:	C[5,5,6]-4:C[3,5]-4:C[3]-4:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[3,5,6]C[5,5,6]C[3,5]C[3])(O[6]C[6])(O)	C[3,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(C[6]O[6]O)	O[6](C[6]C[3,5,6]O)(C[6]C[5,6]HH)	C[6](C[3,5,6]C[5,5,6]C[3,5]C[3])(O[6]C[6])(O){3|C<4>,6|H<1>}	C[3,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(C[6]O[6]O){1|C<3>,3|C<4>,3|H<1>}	O[6](C[6]C[3,5,6]O)(C[6]C[5,6]HH){1|H<1>,4|C<4>}	115.5640	0.000	1	115.5640	0.000	1	115.5640	0.000	1	115.5640	0.000	1	120.0150	39.623	2	118.4509	2.411	40
762	486	622	6:SP2_SP2_SP3	C[6]	C[3,5,6]	O[6]	4:2:2:	4:4:3:3:	4:3:	C[3,5,6]-4:O[6]-2:O-2:	C[3,5]-4:C[3,6]-4:C[5]-3:C[6]-3:	B[6]-4:C[6]-3:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(O[6]B[6])(OC)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]P[5]C)(C[6]O[6]O)	O[6](B[6]C[6a]2C[6])(C[6]C[3,5,6]O)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(O[6]B[6])(OC){1|H<1>,1|P<4>,3|C<3>,3|C<4>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]P[5]C)(C[6]O[6]O){1|B<4>,2|C<4>,4|H<1>}	O[6](B[6]C[6a]2C[6])(C[6]C[3,5,6]O){2|C<4>,2|H<1>,5|C<3>}	124.4660	0.000	1	124.4660	0.000	1	124.4660	0.000	1	124.4660	0.000	1	120.0150	39.623	2	118.4509	2.411	40
762	486	622	6:SP2_SP2_SP3	C[6]	C[3,6,6]	O[6]	4:2:1:	4:3:4:3:	3:4:	C[3,6,6]-4:O[6]-2:O-1:	C[3,6]-4:N[3,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[3,6,6]C[3,6]N[3,6]C[6])(O[6]C[6])(O)	C[3,6,6](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6]C[6]HH)(C[6]O[6]O)	O[6](C[6]C[3,6,6]O)(C[6]C[6]HH)	C[6](C[3,6,6]C[3,6]N[3,6]C[6])(O[6]C[6])(O){3|C<4>,5|H<1>}	C[3,6,6](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6]C[6]HH)(C[6]O[6]O){1|O<2>,3|C<4>,4|H<1>}	O[6](C[6]C[3,6,6]O)(C[6]C[6]HH){1|N<3>,4|C<4>}	119.5830	0.000	1	119.5830	0.000	1	119.5830	0.000	1	119.5830	0.000	1	119.5830	0.000	1	118.4509	2.411	40
762	486	622	6:SP2_SP2_SP3	C[6]	C[3,6]	O[6]	4:2:1:	4:2:3:1:	4:3:	C[3,6]-4:O[6]-2:O-1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[3,6]O)	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,5|C<4>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[3,6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.0050	0.648	3	118.2020	0.236	9	118.4054	0.295	13	118.4054	0.295	13	118.3359	1.364	36	118.4509	2.411	40
762	486	622	6:SP2_SP2_SP3	C[6]	C[3,6]	O[6]	4:2:1:	4:2:3:1:	4:3:	C[3,6]-4:O[6]-2:O-1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[3,6]O)	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){6|C<4>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[3,6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.3005	0.418	6	118.2020	0.236	9	118.4054	0.295	13	118.4054	0.295	13	118.3359	1.364	36	118.4509	2.411	40
762	486	622	6:SP2_SP2_SP3	C[6]	C[3,6]	O[6]	4:2:1:	4:2:3:1:	4:3:	C[3,6]-4:O[6]-2:O-1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	O[6](C[6]C[6,6]C[5a]H)(C[6]C[3,6]O)	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,4|C<4>}	O[6](C[6]C[6,6]C[5a]H)(C[6]C[3,6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.8630	0.384	4	118.8630	0.147	4	118.4054	0.295	13	118.4054	0.295	13	118.3359	1.364	36	118.4509	2.411	40
762	486	622	6:SP2_SP2_SP3	C[6]	C[3,6]	O[6]	4:2:1:	4:4:3:1:	3:3:	C[3,6]-4:O[6]-2:O-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(O)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]B[5]H)(C[6]O[6]O)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]O)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(O){1|B<3>,2|C<3>,2|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]B[5]H)(C[6]O[6]O)(H){2|C<3>,2|O<2>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]O){2|C<3>,2|C<4>,2|H<1>}	119.1110	0.000	1	119.1110	0.000	1	119.1110	0.000	1	119.1110	0.000	1	118.3359	1.364	36	118.4509	2.411	40
762	486	622	6:SP2_SP2_SP3	C[6]	C[3,6]	O[6]	4:2:1:	4:4:3:1:	3:4:	C[3,6]-4:O[6]-2:O-1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(O)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]O[6]O)(H)	O[6](C[6]C[3,6]O)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(O){1|C<3>,1|C<4>,4|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[3,6]O)(C[6]C[6]HH){2|C<4>,3|H<1>}	119.6830	0.000	1	119.6830	0.000	1	119.6830	0.000	1	119.6830	0.000	1	118.3359	1.364	36	118.4509	2.411	40
762	486	622	6:SP2_SP2_SP3	C[6]	C[3,6]	O[6]	4:2:1:	4:4:3:1:	4:3:	C[3,6]-4:O[6]-2:O-1:	C[3,3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:	C[6](C[3,6]C[3,3,6]C[3]H)(O[6]C[6])(O)	C[3,6](C[3,3,6]C[3,6]C[3]2)(C[3]C[3,3,6]HH)(C[6]O[6]O)(H)	O[6](C[6]C[3,6]HH)(C[6]C[3,6]O)	C[6](C[3,6]C[3,3,6]C[3]H)(O[6]C[6])(O){2|C<4>,4|H<1>}	C[3,6](C[3,3,6]C[3,6]C[3]2)(C[3]C[3,3,6]HH)(C[6]O[6]O)(H){1|C<4>,3|H<1>}	O[6](C[6]C[3,6]HH)(C[6]C[3,6]O){2|H<1>,3|C<4>}	117.9235	0.316	2	117.9235	0.100	2	117.9235	0.100	2	118.4133	1.250	4	118.3359	1.364	36	118.4509	2.411	40
762	486	622	6:SP2_SP2_SP3	C[6]	C[3,6]	O[6]	4:2:1:	4:4:3:1:	4:3:	C[3,6]-4:O[6]-2:O-1:	C[3,5,6,6]-4:C[3,5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:	C[6](C[3,6]C[3,5,6,6]C[3,5,6]H)(O[6]C[6,6])(O)	C[3,6](C[3,5,6,6]C[3,5,6]C[6,6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]O[6]O)(H)	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]O)	C[6](C[3,6]C[3,5,6,6]C[3,5,6]H)(O[6]C[6,6])(O){1|H<1>,5|C<4>}	C[3,6](C[3,5,6,6]C[3,5,6]C[6,6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]O[6]O)(H){1|O<2>,4|H<1>,6|C<4>}	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]O){1|O<2>,3|H<1>,4|C<4>}	120.0630	0.000	1	120.0630	0.000	1	120.0630	0.000	1	118.4133	1.250	4	118.3359	1.364	36	118.4509	2.411	40
762	486	622	6:SP2_SP2_SP3	C[6]	C[3,6]	O[6]	4:2:1:	4:4:3:1:	4:3:	C[3,6]-4:O[6]-2:O-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:	C[6](C[3,6]C[3,6,6]C[3,6]H)(O[6]C[6])(O)	C[3,6](C[3,6,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]O[6]O)(H)	O[6](C[6]C[5,6,6]HH)(C[6]C[3,6]O)	C[6](C[3,6]C[3,6,6]C[3,6]H)(O[6]C[6])(O){2|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]O[6]O)(H){1|H<1>,1|O<2>,4|C<4>}	O[6](C[6]C[5,6,6]HH)(C[6]C[3,6]O){1|H<1>,4|C<4>}	117.7430	0.000	1	117.7430	0.000	1	117.7430	0.000	1	118.4133	1.250	4	118.3359	1.364	36	118.4509	2.411	40
762	486	622	6:SP2_SP2_SP3	C[6]	C[3,6]	O[6]	4:2:1:	4:4:3:2:	3:4:	C[3,6]-4:O[6]-2:O-1:	C[3]-4:C[3]-4:C[6]-3:N[6]-2:	C[6]-3:C[6]-4:	C[6](C[3,6]C[3]2N[6])(O[6]C[6])(O)	C[3,6](C[3]C[3]CH)(C[3]C[3]HH)(C[6]O[6]O)(N[6]C[6])	O[6](C[6]C[3,6]O)(C[6]C[6]CC)	C[6](C[3,6]C[3]2N[6])(O[6]C[6])(O){1|C<3>,3|C<4>,3|H<1>}	C[3,6](C[3]C[3]CH)(C[3]C[3]HH)(C[6]O[6]O)(N[6]C[6]){1|C<4>,1|O<2>}	O[6](C[6]C[3,6]O)(C[6]C[6]CC){1|N<2>,1|O<2>,2|C<4>}	118.0975	0.278	2	118.0975	0.077	2	118.0975	0.077	2	118.0975	0.077	2	118.3359	1.364	36	118.4509	2.411	40
762	486	622	6:SP2_SP2_SP3	C[6]	C[3,6]	O[6]	4:2:1:	4:4:3:3:	3:3:	C[3,6]-4:O[6]-2:O-1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(O[6]C[6])(O)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]O)	O[6](C[6]C[6a]C[6])(C[6]C[3,6]O)	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(O[6]C[6])(O){1|H<1>,2|C<4>,4|C<3>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]O){1|C<4>,3|C<3>,7|H<1>}	O[6](C[6]C[6a]C[6])(C[6]C[3,6]O){1|H<1>,2|C<4>,3|C<3>}	119.5610	0.000	1	119.5610	0.000	1	119.5610	0.000	1	119.5610	0.000	1	118.3359	1.364	36	118.4509	2.411	40
762	486	622	6:SP2_SP2_SP3	C[6]	C[3,6]	O[6]	4:2:1:	4:4:3:3:	3:4:	C[3,6]-4:O[6]-2:O-1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(O[6]C[6])(O)	C[3,6](C[3,5,6]C[5,6a]C[3,5]C[6])(C[3,5]C[3,5,6]N[5]H)(C[6a]C[6a]2)(C[6]O[6]O)	O[6](C[6]C[3,6]O)(C[6]C[6]HH)	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(O[6]C[6])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[3,6](C[3,5,6]C[5,6a]C[3,5]C[6])(C[3,5]C[3,5,6]N[5]H)(C[6a]C[6a]2)(C[6]O[6]O){1|C<4>,4|H<1>,5|C<3>}	O[6](C[6]C[3,6]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	120.2340	0.337	2	120.2340	0.113	2	120.2340	0.113	2	117.9243	3.544	8	118.3359	1.364	36	118.4509	2.411	40
762	486	622	6:SP2_SP2_SP3	C[6]	C[3,6]	O[6]	4:2:1:	4:4:3:3:	3:4:	C[3,6]-4:O[6]-2:O-1:	C[3,6]-4:C[3]-4:C[6]-3:S-3:	C[6]-3:C[6]-4:	C[6](C[3,6]C[3,6]C[3]S)(O[6]C[6])(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]O[6]O)(SC[6a]O)	O[6](C[6]C[3,6]O)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[3]S)(O[6]C[6])(O){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]O[6]O)(SC[6a]O){1|C<4>,2|H<1>}	O[6](C[6]C[3,6]O)(C[6]C[6]HH){1|S<3>,2|C<4>,2|H<1>}	118.6510	0.000	1	118.6510	0.000	1	118.9585	0.189	2	117.9243	3.544	8	118.3359	1.364	36	118.4509	2.411	40
762	486	622	6:SP2_SP2_SP3	C[6]	C[3,6]	O[6]	4:2:1:	4:4:3:3:	3:4:	C[3,6]-4:O[6]-2:O-1:	C[3,6]-4:C[3]-4:C[6]-3:S-3:	C[6]-3:C[6]-4:	C[6](C[3,6]C[3,6]C[3]S)(O[6]C[6])(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]O[6]O)(SC[6a]O)	O[6](C[6]C[3,6]O)(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[3]S)(O[6]C[6])(O){1|C<4>,5|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]O[6]O)(SC[6a]O){1|C<4>,2|H<1>}	O[6](C[6]C[3,6]O)(C[6]C[6]HH){1|S<3>,2|C<4>,2|H<1>}	119.2660	0.000	1	119.2660	0.000	1	118.9585	0.189	2	117.9243	3.544	8	118.3359	1.364	36	118.4509	2.411	40
762	486	622	6:SP2_SP2_SP3	C[6]	C[3,6]	O[6]	4:2:1:	4:4:3:3:	3:4:	C[3,6]-4:O[6]-2:O-1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]O[6]O)2	O[6](C[6]C[3,6]O)(C[6]O[6]CC)	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]O[6]O)2{1|C<4>,2|C<3>}	O[6](C[6]C[3,6]O)(C[6]O[6]CC){1|C<3>,2|C<4>}	116.0120	0.529	2	116.2523	0.172	4	116.2523	0.172	4	117.9243	3.544	8	118.3359	1.364	36	118.4509	2.411	40
762	486	622	6:SP2_SP2_SP3	C[6]	C[3,6]	O[6]	4:2:1:	4:4:3:3:	3:4:	C[3,6]-4:O[6]-2:O-1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]O[6]O)2	O[6](C[6]C[3,6]O)(C[6]O[6]CC)	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]O[6]O)2{1|C<4>,2|C<3>}	O[6](C[6]C[3,6]O)(C[6]O[6]CC){1|C<3>,2|C<4>}	116.4925	0.071	2	116.2523	0.172	4	116.2523	0.172	4	117.9243	3.544	8	118.3359	1.364	36	118.4509	2.411	40
762	486	622	6:SP2_SP2_SP3	C[6]	C[3,6]	O[6]	4:2:1:	4:4:4:3:	3:4:	C[3,6]-4:O[6]-2:O-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]O[6]O)	O[6](C[6]C[3,6]O)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O){1|C<3>,2|C<4>,6|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[3,6]O)(C[6]C[6]HH){2|H<1>,3|C<4>}	118.9100	0.000	1	118.9100	0.000	1	119.1960	0.164	2	119.1960	0.164	2	118.3359	1.364	36	118.4509	2.411	40
762	486	622	6:SP2_SP2_SP3	C[6]	C[3,6]	O[6]	4:2:1:	4:4:4:3:	3:4:	C[3,6]-4:O[6]-2:O-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]HH)(C[6]O[6]O)	O[6](C[6]C[3,6]O)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O){1|C<3>,1|C<4>,7|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	O[6](C[6]C[3,6]O)(C[6]C[6]HH){2|H<1>,3|C<4>}	119.4820	0.000	1	119.4820	0.000	1	119.1960	0.164	2	119.1960	0.164	2	118.3359	1.364	36	118.4509	2.411	40
762	486	622	6:SP2_SP2_SP3	C[6]	C[3,6]	O[6]	4:2:2:	3:4:4:3:	4:3:	C[3,6]-4:O[6]-2:N-2:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](C[3,6]C[6,6a]C[3]2)(O[6]C[6])(NS)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]O[6]N)	O[6](C[6]C[6,6a]HH)(C[6]C[3,6]N)	C[6](C[3,6]C[6,6a]C[3]2)(O[6]C[6])(NS){3|C<3>,5|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]O[6]N){1|C<4>,1|H<1>,4|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[3,6]N){2|C<3>,2|C<4>}	117.9460	0.000	1	117.9460	0.000	1	117.9460	0.000	1	117.9460	0.000	1	118.3359	1.364	36	118.4509	2.411	40
762	486	622	6:SP2_SP2_SP3	C[6]	C[3,6]	O[6]	4:2:2:	4:3:4:3:	4:3:	C[3,6]-4:O[6]-2:N-2:	C[3,5]-4:C[6,6a]-3:C[3,5]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](C[3,6]C[6,6a]C[3,5]2)(O[6]C[6])(NS)	C[3,6](C[3,5]C[5,6a]C[3,5]H)(C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[6]O[6]N)	O[6](C[6]C[6,6a]HH)(C[6]C[3,6]N)	C[6](C[3,6]C[6,6a]C[3,5]2)(O[6]C[6])(NS){1|C<4>,3|C<3>,4|H<1>}	C[3,6](C[3,5]C[5,6a]C[3,5]H)(C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[6]O[6]N){1|C<4>,3|H<1>,4|C<3>}	O[6](C[6]C[6,6a]HH)(C[6]C[3,6]N){2|C<3>,2|C<4>}	116.8890	1.870	2	116.8890	3.495	2	116.8890	3.495	2	116.8890	3.495	2	118.3359	1.364	36	118.4509	2.411	40
762	486	622	6:SP2_SP2_SP3	C[6]	C[3,6]	O[6]	4:2:3:	4:4:3:1:	3:3:	C[3,6]-4:O[6]-2:C-3:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(CHH)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]O[6]C)(H)	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(CHH){1|H<1>,4|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]O[6]C)(H){2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C){2|C<3>,2|C<4>,2|H<1>}	119.1090	0.000	1	119.1090	0.000	1	119.1090	0.000	1	119.1090	0.000	1	118.3359	1.364	36	118.4509	2.411	40
762	486	643	0:SP2_SP2_SP3	C[6]	C[3,6]	C[6a]	3:4:3:	3:3:4:4:	3:3:3:	C[6]-3:C[3,6]-4:C[6a]-3:	C[6]-3:C[6]-3:C[3]-4:C[3]-4:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6]C[4,5,6]C[6a])(C[3,6]C[3]2C[6])(C[6a]C[6a]2)	C[3,6](C[6]C[4,5,6]O)(C[6]C[6a]C[6])(C[3]C[3]HH)2	C[6a](C[6]C[3,6]C[6])(C[6a]C[6a]H)2	C[6](C[6]C[4,5,6]C[6a])(C[3,6]C[3]2C[6])(C[6a]C[6a]2){1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[3,6](C[6]C[4,5,6]O)(C[6]C[6a]C[6])(C[3]C[3]HH)2{1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6]C[3,6]C[6])(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	117.3230	0.000	1	117.3230	0.000	1	117.3230	0.000	1	117.3230	0.000	1	118.2292	0.652	4	119.5284	2.369	8
762	486	643	0:SP2_SP2_SP3	C[6]	C[3,6]	C[6a]	4:3:2:	4:3:4:1:	3:3:3:	C[3,6]-4:C[6a]-3:N[6]-2:	C[3,6]-4:C[6]-3:C[3]-4:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(N[6]C[6])	C[3,6](C[3,6]C[3]N[6]H)(C[6]C[6a]N[6])(C[3]C[3,6]CC)(H)	C[6a](C[6]C[3,6]N[6])(C[6a]C[6a]H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[3,6](C[3,6]C[3]N[6]H)(C[6]C[6a]N[6])(C[3]C[3,6]CC)(H){1|C<4>,3|C<3>}	C[6a](C[6]C[3,6]N[6])(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	118.1880	0.393	2	118.1880	0.155	2	118.1880	0.155	2	118.1880	0.155	2	118.2292	0.652	4	119.5284	2.369	8
762	486	643	0:SP2_SP2_SP3	C[6]	C[3,6]	C[6a]	4:3:2:	4:3:4:3:	3:3:3:	C[3,6]-4:C[6a]-3:N[6]-2:	C[3,6]-4:C[6]-3:C[3]-4:C-3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[3,6]C[3,6]C[3]C)(C[6a]C[6a]2)(N[6]C[6])	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]N[6])(C[3]C[3,6]CC)(CC[6a]O)	C[6a](C[6]C[3,6]N[6])(C[6a]C[6a]H)2	C[6](C[3,6]C[3,6]C[3]C)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]N[6])(C[3]C[3,6]CC)(CC[6a]O){1|H<1>,3|C<3>}	C[6a](C[6]C[3,6]N[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	119.2180	0.000	1	119.2180	0.000	1	119.2180	0.000	1	119.2180	0.000	1	118.2292	0.652	4	119.5284	2.369	8
762	486	643	0:SP2_SP2_SP3	C[6]	C[3]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[3]-4:	C[6]-3:C[3]-4:C[3]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(C[3]C[3]2H)	C[3](C[6]C[6,6a]C[6])(C[3]C[3]HH)2(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(C[3]C[3]2H){5|H<1>,6|C<3>}	C[3](C[6]C[6,6a]C[6])(C[3]C[3]HH)2(H){1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[3]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	120.2700	0.000	1	120.2700	0.000	1	120.2700	0.000	1	120.2700	0.000	1	120.8275	0.374	4	119.5284	2.369	8
762	486	643	0:SP2_SP2_SP3	C[6]	C[3]	C[6,6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[3]-4:N[6]-2:	C[6]-3:C[3]-4:C[3]-4:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(N[6]S[6])	C[3](C[6]C[6,6a]N[6])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(N[6]S[6]){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[3](C[6]C[6,6a]N[6])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(H){1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	121.0095	0.841	2	121.0095	0.707	2	121.0095	0.707	2	121.0095	0.707	2	120.8275	0.374	4	119.5284	2.369	8
762	486	643	0:SP2_SP2_SP3	C[6]	C[3]	C[6,6a]	3:4:2:	4:4:3:1:	3:3:3:	C[6,6a]-3:C[3]-4:N[6]-2:	C[3,6]-4:C[3,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]2H)(N[6]S[6])	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(C[6]C[6,6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3]N[6])(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]2H)(N[6]S[6]){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(C[6]C[6,6a]N[6])(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	121.0210	0.000	1	121.0210	0.000	1	121.0210	0.000	1	121.0210	0.000	1	120.8275	0.374	4	119.5284	2.369	8
762	486	643	6:SP2_SP2_SP3	C[6]	C[3,3x6]	C[6,6a]	4:3:1:	4:4:3:2:	3:3:3:	C[3,3x6]-4:C[6,6a]-3:O-1:	C[5,4x6]-4:C[3,6,6]-4:C[6]-3:O[3]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[3,3x6]C[3,6,6]C[5,4x6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,3x6](C[5,4x6]C[5,6,6]2O[6])(C[3,6,6]C[3x6]O[3]H)(C[6]C[6,6a]O)(O[3]C[3,6,6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,3x6]O)(C[6a]C[6a]H)	C[6](C[3,3x6]C[3,6,6]C[5,4x6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3,3x6](C[5,4x6]C[5,6,6]2O[6])(C[3,6,6]C[3x6]O[3]H)(C[6]C[6,6a]O)(O[3]C[3,6,6]){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,3x6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	115.3945	0.571	2	115.3945	0.326	2	115.3945	0.326	2	115.3945	0.326	2	115.3945	0.326	2	116.5727	1.706	30
762	486	643	6:SP2_SP2_SP3	C[6]	C[3,5,6]	C[6,6a]	4:3:1:	4:3:3:2:	3:3:3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[3,5,6]-4:C[5]-3:C[6]-3:O[3]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,5,6](C[3,5,6]C[5,5,6]C[6]O[3])(C[5]C[5,5,6]O)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]O)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[3,5,6](C[3,5,6]C[5,5,6]C[6]O[3])(C[5]C[5,5,6]O)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	114.6120	0.000	1	114.6120	0.000	1	114.6120	0.000	1	114.6120	0.000	1	115.6881	2.085	7	116.5727	1.706	30
762	486	643	6:SP2_SP2_SP3	C[6]	C[3,5,6]	C[6,6a]	4:3:1:	4:4:3:2:	3:3:3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[3,5,6]-4:C[5,5,6]-4:C[6]-3:O[3]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[3,5,6]C[3,5,6]C[5,5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	C[6](C[3,5,6]C[3,5,6]C[5,5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,2|H<1>,4|C<3>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|H<1>,2|O<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	116.4330	0.000	1	116.4330	0.000	1	116.4330	0.000	1	115.8675	2.232	6	115.6881	2.085	7	116.5727	1.706	30
762	486	643	6:SP2_SP2_SP3	C[6]	C[3,5,6]	C[6,6a]	4:3:1:	4:4:3:2:	3:3:3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6,6a]O)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6,6a]O)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|O<1>,1|O<2>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	115.8970	0.000	1	115.8970	0.000	1	115.3995	2.753	4	115.8675	2.232	6	115.6881	2.085	7	116.5727	1.706	30
762	486	643	6:SP2_SP2_SP3	C[6]	C[3,5,6]	C[6,6a]	4:3:1:	4:4:3:2:	3:3:3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<4>,5|C<3>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){2|O<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	115.3070	0.000	1	115.3070	0.000	1	115.3995	2.753	4	115.8675	2.232	6	115.6881	2.085	7	116.5727	1.706	30
762	486	643	6:SP2_SP2_SP3	C[6]	C[3,5,6]	C[6,6a]	4:3:1:	4:4:3:2:	3:3:3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,6]C[5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,3|C<4>,4|C<3>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,6]C[5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	117.1870	0.000	1	117.1870	0.000	1	115.3995	2.753	4	115.8675	2.232	6	115.6881	2.085	7	116.5727	1.706	30
762	486	643	6:SP2_SP2_SP3	C[6]	C[3,5,6]	C[6,6a]	4:3:1:	4:4:3:2:	3:3:3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,5,6](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<4>,5|C<3>}	C[3,5,6](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	113.2070	0.000	1	113.2070	0.000	1	115.3995	2.753	4	115.8675	2.232	6	115.6881	2.085	7	116.5727	1.706	30
762	486	643	6:SP2_SP2_SP3	C[6]	C[3,5,6]	C[6,6a]	4:3:1:	4:4:3:2:	3:3:3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[3,5,6]-4:C[5]-4:C[6]-3:O[3]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(O[3]C[3,5,6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|C<3>,3|H<1>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	117.1740	0.000	1	117.1740	0.000	1	117.1740	0.000	1	115.8675	2.232	6	115.6881	2.085	7	116.5727	1.706	30
762	486	643	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6,6a]	3:4:1:	3:4:4:2:	3:3:3:	C[6,6a]-3:C[3,6]-4:O-1:	C[6]-3:C[3]-4:C[6]-4:O[3]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]O[3])(O)	C[3,6](C[6]C[6,6a]O)(C[3]O[3]CH)(C[6]C[6]HH)(O[3]C[3])	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]O[3])(O){2|C<3>,2|C<4>,4|H<1>}	C[3,6](C[6]C[6,6a]O)(C[3]O[3]CH)(C[6]C[6]HH)(O[3]C[3]){2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	116.6190	0.000	1	116.6190	0.000	1	116.6190	0.000	1	116.6190	0.000	1	116.9798	1.245	21	116.5727	1.706	30
762	486	643	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6,6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[3,6]-4:O-1:	C[6]-3:C[3]-4:C[3]-4:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O)	C[3,6](C[6]C[6,6a]O)(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[3,6](C[6]C[6,6a]O)(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HO){1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	117.0320	0.000	1	117.0320	0.000	1	117.0320	0.000	1	117.0320	0.000	1	116.9798	1.245	21	116.5727	1.706	30
762	486	643	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6,6a]	3:4:1:	4:3:2:2:	3:3:3:	C[6,6a]-3:C[3,6]-4:O-1:	C[3,6]-4:C[6]-3:O[3]-2:O-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]O)(O)	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[6]C[6,6a]O)(O[3]C[3,6])(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[3,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]O)(O){1|H<1>,2|C<3>,2|C<4>}	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[6]C[6,6a]O)(O[3]C[3,6])(OC){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[3,6]O){1|C<3>,1|C<4>,1|H<1>,5|O<2>}	116.7110	0.448	8	116.7110	0.200	8	116.7110	0.200	8	116.7110	0.200	8	116.9798	1.245	21	116.5727	1.706	30
762	486	643	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6,6a]	3:4:1:	4:3:4:2:	3:3:3:	C[6,6a]-3:C[3,6]-4:O-1:	C[3]-4:C[6]-3:C[6]-4:O[3]-2:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]O[3])(O)	C[3,6](C[3]C[6a]2O[3])(C[6]C[6,6a]O)(C[6]O[6]HH)(O[3]C[3])	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]O[3])(O){1|O<2>,3|H<1>,4|C<3>}	C[3,6](C[3]C[6a]2O[3])(C[6]C[6,6a]O)(C[6]O[6]HH)(O[3]C[3]){1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	113.2550	0.000	1	113.2550	0.000	1	113.2550	0.000	1	113.2550	0.000	1	116.9798	1.245	21	116.5727	1.706	30
762	486	643	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6,6a]	3:4:1:	4:3:4:4:	3:3:3:	C[6,6a]-3:C[3,6]-4:O-1:	C[3]-4:C[6]-3:C[3]-4:C[6]-4:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O)	C[3,6](C[3]C[6a]C[3]H)(C[6]C[6,6a]O)(C[3]C[3]Br2)(C[6]C[6]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O){2|Br<1>,1|C<4>,3|C<3>,4|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[6]C[6,6a]O)(C[3]C[3]Br2)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	116.8090	0.000	1	116.8090	0.000	1	116.8090	0.000	1	116.8090	0.000	1	116.9798	1.245	21	116.5727	1.706	30
762	486	643	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6,6a]-3:C[3,6]-4:O-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O)	C[3,6](C[3,6]C[3]C[6]Br)(C[3]C[3,6]C[6a]2)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O){1|Br<1>,1|H<1>,5|C<3>}	C[3,6](C[3,6]C[3]C[6]Br)(C[3]C[3,6]C[6a]2)(C[6]C[6,6a]O)(H){1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.2577	0.175	3	118.2577	0.030	3	118.0330	0.222	4	117.7703	0.257	7	116.9798	1.245	21	116.5727	1.706	30
762	486	643	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6,6a]-3:C[3,6]-4:O-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O){2|H<1>,5|C<3>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]C[6,6a]O)(H){1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	117.3590	0.000	1	117.3590	0.000	1	118.0330	0.222	4	117.7703	0.257	7	116.9798	1.245	21	116.5727	1.706	30
762	486	643	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6,6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6,6a]-3:C[3,6]-4:O-1:	C[3]-4:C[3,6]-4:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]Br)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(Br)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]Br)(O){2|H<1>,5|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(Br){1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	117.4200	0.339	3	117.4200	0.115	3	117.4200	0.115	3	117.7703	0.257	7	116.9798	1.245	21	116.5727	1.706	30
762	486	643	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6,6a]	4:3:1:	4:3:3:3:	3:3:3:	C[3,6]-4:C[6,6a]-3:O-1:	C[3,6]-4:C[6]-3:C[6a]-3:N[3]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[3,6]C[3,6]C[6a]N[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,6](C[3,6]N[3]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[3]C[3,6]H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]O)(C[6a]C[6a]C)	C[6](C[3,6]C[3,6]C[6a]N[3])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[3,6](C[3,6]N[3]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[3]C[3,6]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]O)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	116.2450	0.000	1	116.2450	0.000	1	116.2450	0.000	1	116.2450	0.000	1	116.9798	1.245	21	116.5727	1.706	30
762	486	643	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6,6a]	4:3:1:	4:4:3:3:	3:3:3:	C[3,6]-4:C[6,6a]-3:O-1:	C[3]-4:C[3,6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(O){3|H<1>,6|C<3>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]O)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	118.5350	0.000	1	118.5350	0.000	1	118.5350	0.000	1	118.5350	0.000	1	116.9798	1.245	21	116.5727	1.706	30
762	486	727	6:SP2_SP2_SP3	C[6]	C[3,6]	C[5a,6]	3:4:1:	4:3:2:1:	3:3:3:	C[5a,6]-3:C[3,6]-4:O-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[5a,6,6]-3:C[5a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[3,6]C[3,6]O[3]H)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5a,6]O)(O[3]C[3,6])(H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[3,6]O)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[3,6]C[3,6]O[3]H)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5a,6]O)(O[3]C[3,6])(H){1|C<4>,3|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[3,6]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	113.5100	0.000	1	113.5100	0.000	1	113.5100	0.000	1	113.5100	0.000	1	113.5100	0.000	1	113.5100	0.000	1
762	486	762	0:SP2_SP2_SP3	C[6,6]	C[3,6,6]	C[6]	4:4:3:	4:3:2:4:	3:4:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[3,6,6]-4:C[6,6]-3:O[3]-2:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6])(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]C[5,6]HH)(H)	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){5|C<4>,7|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6])(O[3]C[3,6,6])(C[6]C[6]HH){4|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]C[5,6]HH)(H){1|H<1>,1|O<2>,6|C<4>}	121.2920	0.000	1	121.2920	0.000	1	121.5920	0.180	2	121.5920	0.180	2	121.5920	0.180	2	121.4913	3.786	25
762	486	762	0:SP2_SP2_SP3	C[6,6]	C[3,6,6]	C[6]	4:4:3:	4:3:2:4:	3:4:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[3,6,6]-4:C[6,6]-3:O[3]-2:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6])(O[3]C[3,6,6])(C[6]C[6]HH)	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){5|C<4>,7|H<1>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6])(O[3]C[3,6,6])(C[6]C[6]HH){4|C<4>,8|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]C[6,6]HH)(H){1|H<1>,1|O<2>,6|C<4>}	121.8920	0.000	1	121.8920	0.000	1	121.5920	0.180	2	121.5920	0.180	2	121.5920	0.180	2	121.4913	3.786	25
762	486	762	0:SP2_SP2_SP3	C[6,6]	C[3,6]	C[6]	4:3:3:	4:3:2:1:	3:3:1:	C[3,6]-4:C[6,6]-3:C[6]-3:	C[3,6]-4:C[6,6]-3:O[3]-2:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]N[6])(C[6]C[6]H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H)	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]N[6])(C[6]C[6]H){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	121.7850	0.212	2	121.7850	0.045	2	121.7850	0.045	2	121.7850	0.045	2	120.0290	2.643	5	121.4913	3.786	25
762	486	762	0:SP2_SP2_SP3	C[6,6]	C[3,6]	C[6]	4:4:3:	4:3:2:1:	3:3:1:	C[3,6]-4:C[6,6]-4:C[6]-3:	C[3,6]-4:C[6,6]-3:O[3]-2:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H)	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]O)(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]O)(H){1|O<2>,3|H<1>,4|C<4>}	118.9000	0.000	1	118.9000	0.000	1	118.9000	0.000	1	118.9000	0.000	1	120.0290	2.643	5	121.4913	3.786	25
762	486	762	0:SP2_SP2_SP3	C[6,6]	C[3,6]	C[6]	4:4:3:	4:3:4:1:	3:3:1:	C[3,6]-4:C[6,6]-4:C[6]-3:	C[3,6]-4:C[6,6]-3:C[3]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[3,6](C[3,6]C[6,6]C[3]H)(C[6,6]C[6,6]C[6])(C[3]C[3,6]HH)(H)	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]O)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,3|C<4>,6|H<1>}	C[3,6](C[3,6]C[6,6]C[3]H)(C[6,6]C[6,6]C[6])(C[3]C[3,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]O)(H){3|H<1>,5|C<4>}	118.8375	0.497	2	118.8375	0.247	2	118.8375	0.247	2	118.8375	0.247	2	120.0290	2.643	5	121.4913	3.786	25
762	486	762	0:SP2_SP2_SP3	C[6,6]	C[3]	C[6,6]	4:3:4:	3:4:4:4:	4:3:1:	Ge[3x6]-4:C[6,6]-3:C[3]-4:	C[6,6]-3:C[3]-4:C[3]-4:C-4:	Ge[5,3x6]-4:C[6,6]-3:H-1:	C[6,6](Ge[3x6]C[3x6]C[6,6]C[6a])(C[6,6]Ge[5,3x6]H)(C[3]C[3]2C)	C[3](C[6,6]Ge[3x6]C[6,6])(C[3]C[6a]C[3]H)(C[3]C[3]HO)(CH3)	C[6,6](Ge[5,3x6]C[5,3x6]C[5,6a]C[6,6])(C[6,6]Ge[3x6]C[3])(H)	C[6,6](Ge[3x6]C[3x6]C[6,6]C[6a])(C[6,6]Ge[5,3x6]H)(C[3]C[3]2C){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[3](C[6,6]Ge[3x6]C[6,6])(C[3]C[6a]C[3]H)(C[3]C[3]HO)(CH3){1|Ge<4>,1|C<4>,1|H<1>,4|C<3>}	C[6,6](Ge[5,3x6]C[5,3x6]C[5,6a]C[6,6])(C[6,6]Ge[3x6]C[3])(H){5|C<3>,6|C<4>}	123.3760	0.000	1	123.3760	0.000	1	123.3760	0.000	1	123.6635	0.165	2	123.6635	0.165	2	121.4913	3.786	25
762	486	762	0:SP2_SP2_SP3	C[6,6]	C[3]	C[6,6]	4:3:4:	3:4:4:4:	4:3:1:	Ge[5,3x6]-4:C[6,6]-3:C[3]-4:	C[6,6]-3:C[3]-4:C[3]-4:C-4:	Ge[3x6]-4:C[6,6]-3:H-1:	C[6,6](Ge[5,3x6]C[5,3x6]C[5,6a]C[6,6])(C[6,6]Ge[3x6]H)(C[3]C[3]2C)	C[3](C[6,6]Ge[5,3x6]C[6,6])(C[3]C[6a]C[3]H)(C[3]C[3]HO)(CH3)	C[6,6](Ge[3x6]C[3x6]C[6,6]C[6a])(C[6,6]Ge[5,3x6]C[3])(H)	C[6,6](Ge[5,3x6]C[5,3x6]C[5,6a]C[6,6])(C[6,6]Ge[3x6]H)(C[3]C[3]2C){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[3](C[6,6]Ge[5,3x6]C[6,6])(C[3]C[6a]C[3]H)(C[3]C[3]HO)(CH3){1|Ge<4>,1|C<4>,1|H<1>,4|C<3>}	C[6,6](Ge[3x6]C[3x6]C[6,6]C[6a])(C[6,6]Ge[5,3x6]C[3])(H){1|H<1>,5|C<3>,5|C<4>}	123.9510	0.000	1	123.9510	0.000	1	123.9510	0.000	1	123.6635	0.165	2	123.6635	0.165	2	121.4913	3.786	25
762	486	762	0:SP2_SP2_SP3	C[6]	C[3,5,5]	C[6]	4:4:3:	4:4:4:3:	3:4:1:	C[3,5,5]-4:C[6]-4:C[6]-3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[3,5,5]C[3,5]2C[5,5])(C[6]C[6]HH)(C[6]C[6]H)	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]O[5]H)(C[6]C[6]2)	C[6](C[6]C[3,5,5]C[6])(C[6]C[6]HH)(H)	C[6](C[3,5,5]C[3,5]2C[5,5])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[3,5,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,5]C[5]O[5]H)(C[6]C[6]2){1|O<1>,2|C<4>,7|H<1>}	C[6](C[6]C[3,5,5]C[6])(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	122.1020	0.405	4	122.1020	0.164	4	122.1020	0.164	4	122.1020	0.164	4	122.1020	0.164	4	121.4913	3.786	25
762	486	762	0:SP2_SP2_SP3	C[6]	C[3,5]	C[6]	4:3:3:	4:4:3:3:	3:3:1:	C[3,5]-4:C[6]-3:C[6]-3:	C[3,5,6]-4:C[3]-4:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3,5]C[3,5,6]C[3]C[5])(C[6]C[6]H)2	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]O)(C[6]C[6]2)	C[6](C[6]C[3,5]C[6])(C[6]N[6]H)(H)	C[6](C[3,5]C[3,5,6]C[3]C[5])(C[6]C[6]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[3,5](C[3,5,6]C[5,6]C[3]C[6])(C[3]C[3,5,6]HH)(C[5]C[5]O)(C[6]C[6]2){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6]C[3,5]C[6])(C[6]N[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	121.4360	2.638	2	121.4360	6.956	2	121.4360	6.956	2	121.4360	6.956	2	121.4360	6.956	2	121.4913	3.786	25
762	486	762	0:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:3:	4:4:4:3:	3:3:1:	C[3,6]-4:C[6]-3:C[6]-3:	C[3,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]H)2	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)(C[6]C[6]2)	C[6](C[6]C[3,6]C[6])(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]H)2{1|C<2>,2|C<4>,7|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]HH)(C[6]C[6]2){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[3,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	121.2515	1.193	2	121.2515	1.423	2	121.2515	1.423	2	121.2515	1.423	2	121.2515	1.423	2	121.4913	3.786	25
762	486	762	0:SP2_SP2_SP3	C[6]	C[3]	C[6]	3:3:4:	3:4:4:1:	3:3:1:	N[6]-3:C[6]-3:C[3]-4:	C[6]-3:C[3]-4:C[3]-4:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(C[3]C[3]2H)	C[3](C[6]C[6]N[6])(C[3]C[3]HH)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]N[6])(H)	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(C[3]C[3]2H){2|O<1>,4|C<3>,4|H<1>}	C[3](C[6]C[6]N[6])(C[3]C[3]HH)2(H){1|H<1>,1|S<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]N[6])(H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	125.1780	0.000	1	125.1780	0.000	1	125.1780	0.000	1	125.1780	0.000	1	121.6055	7.029	8	121.4913	3.786	25
762	486	762	0:SP2_SP2_SP3	C[6]	C[3]	C[6]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-3:C[3]-4:	C[6]-3:C[3]-4:C[3]-4:H-1:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(C[3]C[3]2H)	C[3](C[6]C[6,6a]C[6])(C[3]C[3]HH)2(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a])(C[3]C[3]2H){5|H<1>,6|C<3>}	C[3](C[6]C[6,6a]C[6])(C[3]C[3]HH)2(H){1|N<3>,3|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[3])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	120.8200	0.000	1	120.8200	0.000	1	120.8200	0.000	1	120.8200	0.000	1	121.6055	7.029	8	121.4913	3.786	25
762	486	762	0:SP2_SP2_SP3	C[6]	C[3]	C[6]	4:3:2:	4:3:3:1:	3:3:1:	C[3]-4:C[6]-3:C[6]-2:	C[3]-4:C[3]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3]C[3]2H)(C[6]C[6]H)(C[6]C[6])	C[3](C[3]C[3]CH)(C[3]C[3]H)(C[6]C[6]2)(H)	C[6](C[6]C[3]C[6])(C[6]C[6]H)(H)	C[6](C[3]C[3]2H)(C[6]C[6]H)(C[6]C[6]){2|C<3>,4|H<1>}	C[3](C[3]C[3]CH)(C[3]C[3]H)(C[6]C[6]2)(H){1|H<1>,2|C<3>}	C[6](C[6]C[3]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	118.5400	0.000	1	118.5400	0.000	1	118.5400	0.000	1	118.5400	0.000	1	121.6055	7.029	8	121.4913	3.786	25
762	486	762	0:SP2_SP2_SP3	C[6]	C[3]	C[6]	4:3:3:	4:4:3:1:	3:2:1:	C[3]-4:C[6]-3:C[6]-3:	C[3]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[3]C[3]2H)(C[6]C[6]H)2	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[6]C[6]2)(H)	C[6](C[6]C[3]C[6])(C[6]C[6])(H)	C[6](C[3]C[3]2H)(C[6]C[6]H)2{3|C<3>,3|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[6]C[6]2)(H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[3]C[6])(C[6]C[6])(H){1|C<3>,2|C<4>,3|H<1>}	122.7970	0.000	1	122.7970	0.000	1	122.7970	0.000	1	122.7970	0.000	1	121.6055	7.029	8	121.4913	3.786	25
762	486	762	0:SP2_SP2_SP3	C[6]	C[3]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[3]-4:C[6]-3:C[6]-3:	C[3]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3]C[3]2H)(C[6]C[6]H)2	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[6]C[6]2)(H)	C[6](C[6]C[3]C[6])(C[6]C[6]H)(H)	C[6](C[3]C[3]2H)(C[6]C[6]H)2{3|C<3>,3|H<1>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(C[6]C[6]2)(H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[3]C[6])(C[6]C[6]H)(H){1|C<2>,2|C<4>,3|H<1>}	118.7270	0.000	1	118.7270	0.000	1	118.7270	0.000	1	118.7270	0.000	1	121.6055	7.029	8	121.4913	3.786	25
762	486	762	0:SP2_SP2_SP3	C[6]	C[3]	C[6]	4:3:3:	4:4:3:1:	3:4:3:	C[3]-4:C[6]-3:C[6]-3:	C[3,5]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[3]C[3,5]C[3]H)(C[6]C[6]C)(C[6]C[6]S)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6]C[6]2)(H)	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(CHH)	C[6](C[3]C[3,5]C[3]H)(C[6]C[6]C)(C[6]C[6]S){3|C<4>,6|H<1>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6]C[6]2)(H){1|C<3>,1|S<4>,4|C<4>,4|H<1>}	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(CHH){1|H<1>,1|S<4>,5|C<4>}	119.0580	0.000	1	119.0580	0.000	1	119.0580	0.000	1	119.0580	0.000	1	121.6055	7.029	8	121.4913	3.786	25
762	486	762	0:SP2_SP2_SP3	C[6]	C[3]	C[6]	4:3:3:	4:4:3:1:	3:4:4:	C[3]-4:C[6]-3:C[6]-3:	C[3,5]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:S-4:	C[6](C[3]C[3,5]C[3]H)(C[6]C[6]C)(C[6]C[6]S)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6]C[6]2)(H)	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[3]C[3,5]C[3]H)(C[6]C[6]C)(C[6]C[6]S){3|C<4>,6|H<1>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]HH)(C[6]C[6]2)(H){1|C<3>,1|S<4>,4|C<4>,4|H<1>}	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|H<1>,5|C<4>}	123.7130	0.000	1	123.7130	0.000	1	123.7130	0.000	1	123.7130	0.000	1	121.6055	7.029	8	121.4913	3.786	25
762	486	762	0:SP2_SP2_SP3	C[6]	C[3]	C[6]	4:3:4:	4:4:3:1:	3:3:2:	C[6]-4:C[6]-3:C[3]-4:	C[3]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(C[3]C[3]2H)	C[3](C[3]C[3]HH)2(C[6]C[6]2)(H)	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(C[3]C[3]2H){4|H<1>,6|C<3>}	C[3](C[3]C[3]HH)2(C[6]C[6]2)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(O[6]C[6]){3|C<4>,4|C<3>,4|H<1>}	124.0110	0.000	1	124.0110	0.000	1	124.0110	0.000	1	124.0110	0.000	1	121.6055	7.029	8	121.4913	3.786	25
762	486	762	6:SP2_SP2_SP3	C[3x6]	C[3,6,6]	C[6,6]	4:3:4:	4:3:4:2:	3:4:3:	C[3,6,6]-4:C[6,6]-3:C[6,6]-4:	C[3,6]-4:C[3x6]-3:C[6]-4:O[3]-2:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[3x6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)	C[3,6,6](C[3,6]C[6]O[3]H)(C[3x6]C[6,6]2)(C[6]C[6,6]HH)(O[3]C[3,6])	C[6,6](C[3x6]C[3,6,6]C[6,6])(C[6,6]C[6,6]C[6]O)(C[6]O[6]O)	C[3x6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C){1|C<3>,1|O<1>,2|O<2>,3|C<4>,6|H<1>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[3x6]C[6,6]2)(C[6]C[6,6]HH)(O[3]C[3,6]){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[3,6,6]C[6,6])(C[6,6]C[6,6]C[6]O)(C[6]O[6]O){1|C<3>,1|H<1>,2|O<2>,7|C<4>}	119.3330	0.000	1	119.3330	0.000	1	119.3330	0.000	1	119.3330	0.000	1	119.3330	0.000	1	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6,6]	C[3,6,6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3,6,6]-4:C[6,6]-3:H-1:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6,6]-3:H-1:	C[5,5,6,6]-4:C[6,6]-3:H-1:	C[6,6](C[3,6,6]C[3,5,6,6]2H)(C[6,6]C[5,5,6,6]H)(H)	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]Si)(C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,5,6,6]C[5,5,6,6]2H)(C[6,6]C[3,6,6]H)(H)	C[6,6](C[3,6,6]C[3,5,6,6]2H)(C[6,6]C[5,5,6,6]H)(H){1|Si<4>,2|C<4>,2|H<1>}	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]Si)(C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]H)(C[6,6]C[6,6]H)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6,6]2H)(C[6,6]C[3,6,6]H)(H){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	117.0110	0.000	1	117.0110	0.000	1	117.0110	0.000	1	117.2140	0.054	3	117.0500	0.475	5	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6,6]	C[3,6,6]	C[6,6]	4:3:1:	4:4:3:1:	4:3:1:	C[3,6,6]-4:C[6,6]-3:H-1:	C[3,5,6]-4:C[3,5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(H)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]H)(H)	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	117.3155	0.217	2	117.3155	0.047	2	117.3155	0.047	2	117.2140	0.054	3	117.0500	0.475	5	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6,6]	C[3,6,6]	C[6,6]	4:3:1:	4:4:3:3:	4:3:1:	C[3,6,6]-4:C[6,6]-3:H-1:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6,6]-3:C-3:	C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6](C[3,6,6]C[3,5,6,6]2C)(C[6,6]C[5,6,6]H)(H)	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])2(C[6,6]C[6,6]H)(COO)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]H)(H)	C[6,6](C[3,6,6]C[3,5,6,6]2C)(C[6,6]C[5,6,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])2(C[6,6]C[6,6]H)(COO){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	117.6960	0.000	1	117.6960	0.000	1	117.6960	0.000	1	117.6960	0.000	1	117.0500	0.475	5	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6,6]	C[3,6,6]	C[6,6]	4:3:4:	4:4:3:1:	4:3:1:	C[3,6,6]-4:C[6,6]-3:C-4:	C[3,5,6]-4:C[3,5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(CH3)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]C)(H)	C[6,6](C[5,6,6]C[5,6]2C)(C[6,6]C[3,6,6]C)(H)	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(CH3){1|H<1>,4|C<4>}	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2C)(C[6,6]C[3,6,6]C)(H){1|C<3>,3|C<4>,3|H<1>}	115.9120	0.000	1	115.9120	0.000	1	115.9120	0.000	1	115.9120	0.000	1	117.0500	0.475	5	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6,6]	C[3,6,6]	C[6]	4:4:3:	3:4:4:2:	3:3:1:	C[4x6]-4:C[3,6,6]-4:C[6]-3:	C[6,6]-3:C[3,6]-4:C[6]-4:O[3]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]H)	C[3,6,6](C[6,6]C[4x6]C[6])(C[3,6]C[6]O[3]H)(C[6]O[6]CC)(O[3]C[3,6])	C[6](C[6,6]C[3,6,6]C[4x6])(C[6]O[6]O)(H)	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]H){1|O<1>,3|H<1>,3|O<2>,7|C<4>}	C[3,6,6](C[6,6]C[4x6]C[6])(C[3,6]C[6]O[3]H)(C[6]O[6]CC)(O[3]C[3,6]){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[4x6])(C[6]O[6]O)(H){1|O<2>,5|C<4>}	116.6110	0.389	4	116.6110	0.152	4	116.6110	0.152	4	116.6110	0.152	4	117.8720	4.560	11	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6,6]	C[3,6,6]	C[6]	4:4:3:	4:3:4:2:	3:3:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[3,6]-4:C[6,6]-3:C[6]-4:O[3]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[3]C[3,6])	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]O[6]O)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HH)(O[3]C[3,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]O[6]O)(H){1|O<2>,5|C<4>}	116.0980	0.000	1	116.0980	0.000	1	116.2797	0.269	3	116.8115	1.311	4	117.8720	4.560	11	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6,6]	C[3,6,6]	C[6]	4:4:3:	4:3:4:2:	3:3:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[3,6]-4:C[6,6]-3:C[6]-4:O[3]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HO)(O[3]C[3,6])	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]O[6]O)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[3,6,6](C[3,6]C[5,6]O[3]H)(C[6,6]C[6,6]C[6])(C[6]O[6]HO)(O[3]C[3,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]O[6]O)(H){1|O<2>,5|C<4>}	116.3705	0.699	2	116.3705	0.489	2	116.2797	0.269	3	116.8115	1.311	4	117.8720	4.560	11	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6,6]	C[3,6,6]	C[6]	4:4:3:	4:3:4:2:	3:3:1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[3,6]-4:O[3]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[3,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]C[5,6]O)(H)	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,4|H<1>,6|C<4>}	C[3,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6]){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]C[5,6]O)(H){1|C<3>,1|O<2>,6|C<4>}	118.4070	0.000	1	118.4070	0.000	1	118.4070	0.000	1	116.8115	1.311	4	117.8720	4.560	11	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6,6]	C[3,6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[3,6,6]-4:C[6,6]-3:C[3]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)	C[6](C[6,6]C[3,6,6]C[5,6])(C[6]C[6,6]HH)(H)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H){6|C<4>,8|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH){1|O<2>,5|H<1>,6|C<4>}	C[6](C[6,6]C[3,6,6]C[5,6])(C[6]C[6,6]HH)(H){1|H<1>,7|C<4>}	121.5630	0.000	1	121.5630	0.000	1	121.4835	0.013	2	121.4835	0.013	2	117.8720	4.560	11	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6,6]	C[3,6,6]	C[6]	4:4:3:	4:3:4:4:	3:4:1:	C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[3,6,6]-4:C[6,6]-3:C[3]-4:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HO)	C[6](C[6,6]C[3,6,6]C[5,6])(C[6]C[6,6]HH)(H)	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[5,6]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HO){6|C<4>,6|H<1>}	C[6](C[6,6]C[3,6,6]C[5,6])(C[6]C[6,6]HH)(H){1|H<1>,7|C<4>}	121.4040	0.000	1	121.4040	0.000	1	121.4835	0.013	2	121.4835	0.013	2	117.8720	4.560	11	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6,6]	C[3,6,6]	C[6]	4:4:3:	4:4:4:3:	3:3:2:	C[3,6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[3,6]-4:C[3]-4:C[6,6]-3:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[6]CC)(C[6]C[6]O)	C[3,6,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2)	C[6](C[6,6]C[3,6,6]C[6])(C[6]C[6,6]O)(OH)	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[3,6,6](C[6,6]C[6,6]C[6]O)(C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6,6]C[6]2){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3,6,6]C[6])(C[6]C[6,6]O)(OH){2|C<3>,5|C<4>}	119.9350	0.000	1	119.9350	0.000	1	119.9350	0.000	1	119.9350	0.000	1	117.8720	4.560	11	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6,6]	C[3,6]	C[6,6]	4:3:2:	3:3:4:2:	3:3:4:	C[3,6]-4:C[6,6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:C[3]-4:O[3]-2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](C[3,6]C[6,6a]C[3]O[3])(C[6,6]C[6]2)(O[6]C[6])	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(C[3]O[3]HH)(O[3]C[3])	C[6,6](C[6,6]C[3,6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6](C[3,6]C[6,6a]C[3]O[3])(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(C[3]O[3]HH)(O[3]C[3]){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[3,6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.8680	0.000	1	122.8680	0.000	1	122.8680	0.000	1	122.8680	0.000	1	121.5252	3.058	5	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6,6]	C[3,6]	C[6,6]	4:3:2:	3:4:2:4:	3:4:3:	C[3,6]-4:C[6,6]-3:O[6]-2:	C[6,6]-3:C[3,6]-4:O[3]-2:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2)(O[6]C[6])	C[3,6](C[6,6]C[6,6]O[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CC3)	C[6,6](C[6,6]C[3,6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,2|C<4>,5|H<1>}	C[3,6](C[6,6]C[6,6]O[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CC3){1|C<3>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[3,6]O[6])(C[6]C[6]HH)(C[6]C[6]O){2|H<1>,2|O<2>,4|C<4>}	123.9230	0.000	1	123.9230	0.000	1	123.9230	0.000	1	123.9230	0.000	1	121.5252	3.058	5	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6,6]	C[3,6]	C[6,6]	4:3:3:	4:3:2:1:	3:3:3:	C[3,6]-4:C[6,6]-3:C[6]-3:	C[3,6]-4:C[6,6]-3:O[3]-2:H-1:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]N[6])(C[6]C[6]H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H)	C[6,6](C[6,6]C[3,6]C[6])(C[6,6]C[6,6]N[6])(N[6]C[6]Cu)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]N[6])(C[6]C[6]H){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6,6]C[6,6]C[6])(O[3]C[3,6])(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[3,6]C[6])(C[6,6]C[6,6]N[6])(N[6]C[6]Cu){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.3115	0.090	2	120.3115	0.008	2	120.3115	0.008	2	120.3115	0.008	2	121.5252	3.058	5	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6,6]	C[3,6]	C[6,6]	4:3:4:	3:4:4:3:	3:4:2:	C[3,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[3,6]-4:C[3]-4:C[6a]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[3,6]C[3,6]C[6a]C[3])(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[3,6](C[6,6]C[6,6]C[6])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6a]C[6a]2)	C[6,6](C[6,6]C[3,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[3,6]C[3,6]C[6a]C[3])(C[6,6]C[6]O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,6|H<1>}	C[3,6](C[6,6]C[6,6]C[6])(C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6a]C[6a]2){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[3,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<3>,3|C<4>,6|H<1>}	120.2120	0.000	1	120.2120	0.000	1	120.2120	0.000	1	120.2120	0.000	1	121.5252	3.058	5	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,4,4,6]	C[6]	4:3:3:	4:3:3:3:	3:3:1:	C[3,4,4,6]-4:C[6]-3:C-3:	C[4,4,3x6]-4:H[3,3,4]-3:H[3,3,4]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3,4,4,6]C[4,4,3x6]H[3,3,4]2)(C[6]C[6]H)(CC[5]C)	C[3,4,4,6](C[4,4,3x6]C[4,4,3x6]C[3,4,4]C[6,6])(H[3,3,4]C[3,4,4]H[3,3,4])2(C[6]C[6]C)	C[6](C[6]C[3,4,4,6]C)(C[6]C[4,4,3x6]H)(H)	C[6](C[3,4,4,6]C[4,4,3x6]H[3,3,4]2)(C[6]C[6]H)(CC[5]C){1|C<4>,1|H<1>,2|C<3>}	C[3,4,4,6](C[4,4,3x6]C[4,4,3x6]C[3,4,4]C[6,6])(H[3,3,4]C[3,4,4]H[3,3,4])2(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[3,4,4,6]C)(C[6]C[4,4,3x6]H)(H){1|C<3>,2|C<4>,2|H<3>}	125.1330	0.000	1	125.1330	0.000	1	125.1330	0.000	1	125.1330	0.000	1	125.1330	0.000	1	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,5,6,6]	C[6]	4:3:1:	4:4:4:3:	3:3:1:	C[3,5,6,6]-4:C[6]-3:H-1:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[5,6]H)(H)	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]2)(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,5,6,6]H)(H)	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[5,6]H)(H){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]2)(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[3,5,6,6]H)(H){1|O<2>,2|H<1>,4|C<4>}	120.9785	0.269	2	120.9785	0.073	2	120.9785	0.073	2	119.6777	5.113	3	119.6777	5.113	3	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,5,6,6]	C[6]	4:3:1:	4:4:4:3:	3:3:1:	C[3,5,6,6]-4:C[6]-3:O-1:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[6]H)(O)	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]O)	C[6](C[6]C[3,5,6,6]O)(C[6]C[6]H)(H)	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]O){2|C<3>,7|H<1>}	C[6](C[6]C[3,5,6,6]O)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	117.0760	0.000	1	117.0760	0.000	1	117.0760	0.000	1	119.6777	5.113	3	119.6777	5.113	3	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,5,6]	C[6]	4:3:1:	4:4:4:3:	3:3:1:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]H)(H)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]CF)(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[6]C[3,5,6]H)(C[6]C[6]H)(H)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]H)(H){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]CF)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,6|H<1>}	C[6](C[6]C[3,5,6]H)(C[6]C[6]H)(H){1|H<1>,3|C<4>}	121.3425	0.264	2	121.3425	0.070	2	121.3425	0.070	2	118.0102	16.291	4	120.5118	6.918	19	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,5,6]	C[6]	4:3:1:	4:4:4:3:	3:3:1:	C[3,5,6]-4:C[6]-3:O-1:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(O)	C[3,5,6](C[3,5]C[3]C[5]C[6])(C[5,6]C[5]C[6]H)(C[3]C[3,5]HH)(C[6]C[6]O)	C[6](C[6]C[3,5,6]O)(C[6]C[6]C)(H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	C[3,5,6](C[3,5]C[3]C[5]C[6])(C[5,6]C[5]C[6]H)(C[3]C[3,5]HH)(C[6]C[6]O){1|O<1>,3|C<3>,5|H<1>}	C[6](C[6]C[3,5,6]O)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	116.1590	0.000	1	116.1590	0.000	1	114.6780	4.387	2	118.0102	16.291	4	120.5118	6.918	19	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,5,6]	C[6]	4:3:1:	4:4:4:3:	3:3:1:	C[3,5,6]-4:C[6]-3:O-1:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(O)	C[3,5,6](C[3,5]C[3]C[5]H)(C[5,6]C[6]O[5]H)(C[3]C[3,5]HH)(C[6]C[6]O)	C[6](C[6]C[3,5,6]O)(C[6]C[6]C)(H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(O){1|O<2>,3|C<4>,4|H<1>}	C[3,5,6](C[3,5]C[3]C[5]H)(C[5,6]C[6]O[5]H)(C[3]C[3,5]HH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,5,6]O)(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<4>}	113.1970	0.000	1	113.1970	0.000	1	114.6780	4.387	2	118.0102	16.291	4	120.5118	6.918	19	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,5,6]	C[6]	4:3:1:	4:4:4:3:	3:3:2:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]O)(H)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[6]C[3,5,6]H)(C[6]C[6]C)(OC)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]O)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|O<2>,5|H<1>}	C[6](C[6]C[3,5,6]H)(C[6]C[6]C)(OC){1|H<1>,3|C<4>}	120.4720	0.000	1	120.4720	0.000	1	120.4720	0.000	1	121.2405	1.181	2	120.5118	6.918	19	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,5,6]	C[6]	4:3:1:	4:4:4:3:	3:3:2:	C[3,5,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,5]-4:C[5]-4:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6a]O[6])(H)	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[6]C[3,5,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6a]O[6])(H){2|C<4>,3|H<1>,4|C<3>}	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[3,5,6]H)(C[6a]C[6a]2)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	122.0090	0.000	1	122.0090	0.000	1	122.0090	0.000	1	121.2405	1.181	2	120.5118	6.918	19	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,5,6]	C[6]	4:3:1:	4:4:4:3:	3:3:4:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]C)(H)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[6]C[3,5,6]H)(C[6]C[6]O)(CClHH)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]C)(H){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[6]C[3,5,6]H)(C[6]C[6]O)(CClHH){1|H<1>,3|C<4>}	122.3690	0.000	1	122.3690	0.000	1	122.3690	0.000	1	122.6045	0.111	2	120.5118	6.918	19	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,5,6]	C[6]	4:3:1:	4:4:4:3:	3:3:4:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]C)(H)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)	C[6](C[6]C[3,5,6]H)(C[6]C[6]H)(CH3)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,5,6]H)(C[6]C[6]H)(CH3){4|C<4>}	122.8400	0.000	1	122.8400	0.000	1	122.8400	0.000	1	122.6045	0.111	2	120.5118	6.918	19	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:1:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(H)	C[3,5,6](C[3,5]C[5,6a]C[6a]C[3])(C[5,6]C[5,6a]N[6]H)(C[3]C[3,5]HH)(C[6]C[6]H)	C[6](C[6]C[3,5,6]H)(C[6]N[6]HH)(H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(H){1|N<3>,3|C<3>,5|H<1>}	C[3,5,6](C[3,5]C[5,6a]C[6a]C[3])(C[5,6]C[5,6a]N[6]H)(C[3]C[3,5]HH)(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[3,5,6]H)(C[6]N[6]HH)(H){1|C<3>,3|C<4>}	117.6810	0.000	1	117.6810	0.000	1	117.6810	0.000	1	117.8860	0.084	2	120.5118	6.918	19	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,5,6]	C[6]	4:3:1:	4:4:4:3:	3:4:1:	C[3,5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[3,5]-4:C[3]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[3,5,6]C[5,6,6]C[3,5]C[3])(C[6]C[6]H)(H)	C[3,5,6](C[5,6,6]C[5,6]N[6,6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]H)	C[6](C[6]C[3,5,6]H)(C[6]N[6,6]HH)(H)	C[6](C[3,5,6]C[5,6,6]C[3,5]C[3])(C[6]C[6]H)(H){1|N<3>,3|C<4>,5|H<1>}	C[3,5,6](C[5,6,6]C[5,6]N[6,6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[3,5,6]H)(C[6]N[6,6]HH)(H){4|C<4>}	118.0910	0.000	1	118.0910	0.000	1	118.0910	0.000	1	117.8860	0.084	2	120.5118	6.918	19	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,5,6]	C[6]	4:3:1:	4:4:4:3:	4:3:1:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6,6]H)(H)	C[3,5,6](C[3,5,6]C[6,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5]2H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]H)(H)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6,6]H)(H){4|H<1>,5|C<4>}	C[3,5,6](C[3,5,6]C[6,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5]2H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]H)(H){1|C<3>,7|C<4>}	121.1140	0.000	1	121.1140	0.000	1	121.1140	0.000	1	122.3805	0.411	6	120.5118	6.918	19	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,5,6]	C[6]	4:3:1:	4:4:4:3:	4:3:1:	C[3,5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]H)(H)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]H)(H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]H)(H){4|H<1>,5|C<4>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]H){2|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]H)(H){1|H<1>,1|O<2>,6|C<4>}	122.5065	0.098	2	122.6338	0.033	5	122.6338	0.033	5	122.3805	0.411	6	120.5118	6.918	19	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,5,6]	C[6]	4:3:1:	4:4:4:3:	4:3:1:	C[3,5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]H)(H)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]H)(H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]H)(H){4|H<1>,5|C<4>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]H){2|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]H)(H){2|H<1>,6|C<4>}	122.7187	0.183	3	122.6338	0.033	5	122.6338	0.033	5	122.3805	0.411	6	120.5118	6.918	19	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,5,6]	C[6]	4:3:2:	4:3:2:3:	3:3:1:	C[3,5,6]-4:C[6]-3:O-2:	C[3,5]-4:C[5,6]-3:O[3]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6]H)(OC)	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[5]C[6])(O[3]C[3,5])(C[6]C[6]O)	C[6](C[6]C[3,5,6]O)(C[6]C[6]O)(H)	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6]H)(OC){1|C<3>,1|O<1>,3|C<4>}	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[5]C[6])(O[3]C[3,5])(C[6]C[6]O){1|C<3>,6|H<1>}	C[6](C[6]C[3,5,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	120.0170	0.000	1	120.0170	0.000	1	120.0170	0.000	1	120.0170	0.000	1	120.5118	6.918	19	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,5,6]	C[6]	4:3:4:	4:3:3:3:	3:3:1:	C[3,5,6]-4:C[6]-3:C-4:	C[3,6]-4:N[5,6]-3:P[3,5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3,5,6]C[3,6]N[5,6]P[3,5])(C[6]C[6]H)(CH3)	C[3,5,6](C[3,6]P[3,5]C[6]C)(N[5,6]C[5,6]C[6])(P[3,5]C[3,6]C[5])(C[6]C[6]C)	C[6](C[6]C[3,5,6]C)(C[6]C[6]C)(H)	C[6](C[3,5,6]C[3,6]N[5,6]P[3,5])(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	C[3,5,6](C[3,6]P[3,5]C[6]C)(N[5,6]C[5,6]C[6])(P[3,5]C[3,6]C[5])(C[6]C[6]C){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[3,5,6]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|P<3>}	119.0200	0.000	1	119.0200	0.000	1	119.0200	0.000	1	119.0200	0.000	1	120.5118	6.918	19	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,5,6]	C[6]	4:3:4:	4:4:4:3:	3:4:1:	C[3,5,6]-4:C[6]-3:C-4:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]H)(CH3)	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)	C[6](C[6]C[3,5,6]C)(C[6]C[6]HH)(H)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]H)(CH3){3|C<4>,6|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]H)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[3,5,6]C)(C[6]C[6]HH)(H){5|C<4>}	120.9010	0.000	1	120.9010	0.000	1	120.9010	0.000	1	120.9010	0.000	1	120.5118	6.918	19	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6,6]	C[6]	4:3:1:	3:4:4:3:	3:3:1:	C[3,6,6]-4:C[6]-3:H-1:	N[3,6]-3:C[3]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6,6]C[6,6]N[3,6]C[3])(C[6]C[6]H)(H)	C[3,6,6](N[3,6]Si[6]C[3])(C[3]N[3,6]CH)(C[6,6]C[6]2H)(C[6]C[6]H)	C[6](C[6]C[3,6,6]H)(C[6]C[6]C)(H)	C[6](C[3,6,6]C[6,6]N[3,6]C[3])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	C[3,6,6](N[3,6]Si[6]C[3])(C[3]N[3,6]CH)(C[6,6]C[6]2H)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]H)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|C<4>}	120.7120	0.000	1	120.7120	0.000	1	120.7120	0.000	1	120.7120	0.000	1	120.4575	6.225	10	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6,6]	C[6]	4:3:1:	4:2:3:3:	3:3:4:	C[3,6,6]-4:C[6]-3:O-1:	C[3,6,6]-4:O[3]-2:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]C)(O)	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)2	C[6](C[6]C[3,6,6]O)(C[6]C[6]O)(CCCH)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]C)(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	119.4550	0.000	1	119.4550	0.000	1	119.4550	0.000	1	119.4550	0.000	1	120.4575	6.225	10	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6,6]	C[6]	4:3:1:	4:4:2:3:	3:3:2:	C[3,6,6]-4:C[6]-3:O-1:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[6]O)(O)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]O)	C[6](C[6]C[3,6,6]O)(C[6]C[6]C)(OH)	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[6]O)(O){2|C<3>,4|C<4>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]O){1|C<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[3,6,6]O)(C[6]C[6]C)(OH){1|O<1>,1|O<2>,2|C<4>}	119.4870	0.000	1	119.4870	0.000	1	119.4870	0.000	1	119.4870	0.000	1	120.4575	6.225	10	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6,6]	C[6]	4:3:1:	4:4:4:3:	3:3:1:	C[3,6,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]H)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]H)	C[6](C[6]C[3,6,6]H)(C[6]C[6]O)(H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]H)(H){1|O<1>,3|H<1>,4|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6]C[3,6,6]H)(C[6]C[6]O)(H){1|H<1>,4|C<4>}	122.4680	0.000	1	122.4680	0.000	1	122.4680	0.000	1	122.3450	9.396	4	120.4575	6.225	10	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6,6]	C[6]	4:3:1:	4:4:4:3:	3:3:1:	C[3,6,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]H)(H)	C[3,6,6](C[3,6]C[3,6]C[5a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[3,6,6]H)(C[6]C[6]O)(H)	C[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[3,6,6](C[3,6]C[3,6]C[5a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,2|N<3>,7|H<1>}	C[6](C[6]C[3,6,6]H)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	124.4340	0.973	2	124.4340	0.947	2	124.4340	0.947	2	122.3450	9.396	4	120.4575	6.225	10	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6,6]	C[6]	4:3:1:	4:4:4:3:	3:3:1:	C[3,6,6]-4:C[6]-3:O-1:	C[3,6,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6,6]H)(O)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[3,6,6]O)(H)	C[6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6,6]H)(O){4|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[3,6,6]O)(H){2|H<1>,6|C<4>}	118.0440	0.000	1	118.0440	0.000	1	118.0440	0.000	1	122.3450	9.396	4	120.4575	6.225	10	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6,6]	C[6]	4:3:4:	4:4:2:3:	3:4:1:	C[3,6,6]-4:C[6]-3:C-4:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(CH3)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C)	C[6](C[6]C[3,6,6]C)(C[6]C[6]HH)(H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]C[3,6,6]C)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	118.5137	0.347	3	118.5137	0.121	3	118.5137	0.121	3	118.5137	0.121	3	120.4575	6.225	10	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6,6]	3:4:1:	4:3:2:3:	4:3:4:	C[6,6]-3:C[3,6]-4:H-1:	C[3,6]-4:C[6]-3:O[3]-2:C-3:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[3,6]C[3,6]O[3]C)(H)	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[6,6]H)(O[3]C[3,6])(CCO)	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[3,6]H)(C[6]C[6]CC)	C[6](C[6,6]C[5,6,6]C[6])(C[3,6]C[3,6]O[3]C)(H){7|C<4>}	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[6,6]H)(O[3]C[3,6])(CCO){1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[3,6]H)(C[6]C[6]CC){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	124.5100	0.000	1	124.5100	0.000	1	124.5100	0.000	1	124.5100	0.000	1	118.7215	10.579	11	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6,6]	4:3:1:	4:2:3:1:	3:3:3:	C[3,6]-4:C[6,6]-3:O-1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6])(O)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]2)(C[6]C[3,6]O)(C[6]C[6,6]O)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6])(O){1|O<1>,4|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6,6]O)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]2)(C[6]C[3,6]O)(C[6]C[6,6]O){1|O<2>,2|H<1>,7|C<4>}	115.9230	0.000	1	115.9230	0.000	1	115.9230	0.000	1	115.9230	0.000	1	118.7215	10.579	11	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6,6]	4:3:1:	4:3:2:1:	3:3:4:	C[3,6]-4:C[6,6]-3:O-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[3,6]O)(C[6]C[6]2H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O){2|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[3,6]O)(C[6]C[6]2H){1|C<3>,3|O<2>,4|C<4>,5|H<1>}	116.5030	1.749	2	116.5030	3.060	2	116.5030	3.060	2	116.5030	3.060	2	118.7215	10.579	11	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6,6]	4:3:1:	4:3:2:1:	4:3:3:	C[3,6]-4:C[6,6]-3:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(H)	C[3,6](C[3,6]C[6a]C[6]O[3])(C[6]C[6,6]H)(O[3]C[3,6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]H)(C[6]O[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[3,6](C[3,6]C[6a]C[6]O[3])(C[6]C[6,6]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]H)(C[6]O[6]O){1|O<2>,2|C<4>,5|H<1>}	121.0700	0.000	1	121.0700	0.000	1	121.0700	0.000	1	117.5474	4.454	5	118.7215	10.579	11	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6,6]	4:3:1:	4:3:2:1:	4:3:3:	C[3,6]-4:C[6,6]-3:O-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O){3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]H){2|O<2>,4|C<4>,4|H<1>}	117.0653	0.447	3	117.0653	0.200	3	116.6668	0.769	4	117.5474	4.454	5	118.7215	10.579	11	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6,6]	4:3:1:	4:3:2:1:	4:3:3:	C[3,6]-4:C[6,6]-3:O-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O){3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	115.4710	0.000	1	115.4710	0.000	1	116.6668	0.769	4	117.5474	4.454	5	118.7215	10.579	11	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6,6]	4:3:2:	4:3:2:1:	4:3:3:	C[3,6]-4:C[6,6]-3:O-2:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(OH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]O)(O[3]C[3,6])(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[3,6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[3,6]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	122.3800	0.256	2	122.3800	0.066	2	122.3800	0.066	2	122.3800	0.066	2	118.7215	10.579	11	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	3:4:3:	3:3:4:4:	4:3:3:	C[6]-3:C[3,6]-4:C[6a]-3:	C[6]-3:C[6]-3:C[3]-4:C[3]-4:	C[4,5,6]-4:C[6]-3:C[6a]-3:	C[6](C[6]C[4,5,6]C[6a])(C[3,6]C[3]2C[6])(C[6a]C[6a]2)	C[3,6](C[6]C[4,5,6]O)(C[6]C[6a]C[6])(C[3]C[3]HH)2	C[6](C[4,5,6]C[4,5,6]C[4]C[5])(C[6]C[3,6]C[6a])(C[6a]C[6a]2)	C[6](C[6]C[4,5,6]C[6a])(C[3,6]C[3]2C[6])(C[6a]C[6a]2){1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[3,6](C[6]C[4,5,6]O)(C[6]C[6a]C[6])(C[3]C[3]HH)2{1|O<2>,2|C<4>,3|C<3>}	C[6](C[4,5,6]C[4,5,6]C[4]C[5])(C[6]C[3,6]C[6a])(C[6a]C[6a]2){1|O<2>,3|C<4>,4|H<1>,7|C<3>}	124.0970	0.000	1	124.0970	0.000	1	124.0970	0.000	1	124.0970	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	3:4:3:2:	3:3:1:	C[3,6]-4:C[6]-3:O-1:	C[6]-3:C[3]-4:C[6]-3:O[3]-2:	C[5,6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[5,6]H)(O)	C[3,6](C[6]C[5,6]H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3])	C[6](C[5,6]C[5,6]N[5])(C[6]C[3,6]O)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[5,6]H)(O){1|C<3>,1|N<3>,3|H<1>}	C[3,6](C[6]C[5,6]H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[3,6]O)(H){1|O<2>,2|C<4>,3|C<3>}	117.0060	0.000	1	117.0060	0.000	1	117.0060	0.000	1	117.0060	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	3:4:4:3:	3:3:1:	C[3,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[6]H)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[3,6]H)(H)	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[3,6]H)(H){2|C<3>,2|C<4>}	123.8000	0.269	2	123.8000	0.072	2	123.8000	0.072	2	123.8000	0.072	2	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:2:3:1:	3:3:1:	C[3,6]-4:C[6]-3:O-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]H)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	115.8770	0.000	2	115.8770	0.000	2	115.8770	0.000	2	116.5327	1.290	3	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:2:3:1:	3:3:1:	C[3,6]-4:C[6]-3:O-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(O)	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(H)	C[6](C[6]C[3,6]O)(C[6]C[6]O)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(O){1|O<2>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[3,6]O)(C[6]C[6]O)(H){1|C<4>,2|H<1>,2|O<2>}	117.8440	0.000	1	117.8440	0.000	1	117.8440	0.000	1	116.5327	1.290	3	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:2:3:1:	3:3:4:	C[3,6]-4:C[6]-3:O-1:	C[3,5,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]C)(O)	C[3,6](C[3,5,6]C[4,5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]O)(H)	C[6](C[6]C[4,5,6]H)(C[6]C[3,6]O)(CHHO)	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	C[3,6](C[3,5,6]C[4,5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[4,5,6]H)(C[6]C[3,6]O)(CHHO){1|H<1>,2|C<4>,2|O<2>}	117.4220	0.224	3	117.4220	0.050	3	117.4220	0.050	3	117.2770	0.118	4	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:2:3:1:	3:3:4:	C[3,6]-4:C[6]-3:O-1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]C)(O)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H)	C[6](C[6]C[3,6]O)(C[6]C[6,6]H)(CHHO)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]O)(C[6]C[6,6]H)(CHHO){1|H<1>,2|C<4>,2|O<2>}	116.8420	0.000	1	116.8420	0.000	1	116.8420	0.000	1	117.2770	0.118	4	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:2:3:1:	3:4:3:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(H)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H)	C[6](C[6]C[3,6]H)(C[6]C[6]HO)(COO)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[3,6]H)(C[6]C[6]HO)(COO){1|C<4>,2|H<1>,2|O<2>}	120.9310	0.000	1	120.9310	0.000	1	120.9310	0.000	1	120.9310	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:2:3:1:	4:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6,6]H)(H)	C[3,6](C[3,6]C[5,6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[3,6]H)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[3,6](C[3,6]C[5,6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[3,6]H)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	121.8760	0.076	2	121.8760	0.006	2	121.8760	0.006	2	121.8760	0.006	2	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:2:3:1:	4:3:3:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(H)	C[3,6](C[3,6]C[6a]C[6]O[3])(O[3]C[3,6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(COO)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[3,6](C[3,6]C[6a]C[6]O[3])(O[3]C[3,6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(COO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	122.0930	0.000	1	122.0930	0.000	1	122.0930	0.000	1	122.0930	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:2:3:2:	3:3:1:	C[3,6]-4:C[6]-3:O-1:	C[3,6]-4:O[3]-2:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3,6]O[3]O)(C[6]C[6]H)(O)	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(OC)	C[6](C[6]C[3,6]O)(C[6]C[6]N)(H)	C[6](C[3,6]C[3,6]O[3]O)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>}	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(OC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[3,6]O)(C[6]C[6]N)(H){1|C<4>,1|O<1>,2|O<2>}	118.5455	0.500	2	118.5455	0.250	2	118.5455	0.250	2	118.5455	0.250	2	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:2:3:2:	3:3:4:	C[3,6]-4:C[6]-3:H-1:	C[3]-4:N[6]-2:C[6]-3:H[3]-2:	N[5,6]-3:C[6]-3:C-4:	C[6](C[3,6]C[3]H[3]N[6])(C[6]N[5,6]C)(H)	C[3,6](C[3]H[3]HH)(N[6]C[5,6])(C[6]C[6]H)(H[3]C[3])	C[6](N[5,6]C[5,6]N[5])(C[6]C[3,6]H)(CH3)	C[6](C[3,6]C[3]H[3]N[6])(C[6]N[5,6]C)(H){1|C<3>,1|N<2>,2|H<1>}	C[3,6](C[3]H[3]HH)(N[6]C[5,6])(C[6]C[6]H)(H[3]C[3]){1|C<4>,2|N<3>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[3,6]H)(CH3){1|C<3>,1|C<4>,1|H<2>,1|N<2>,1|N<3>}	120.4250	0.000	1	120.4250	0.000	1	120.4250	0.000	1	120.4250	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:2:3:3:	3:3:1:	C[3,6]-4:C[6]-3:O-1:	C[3,6]-4:O[3]-2:C[6]-3:C-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[5,6]H)(O)	C[3,6](C[3,6]C[5,6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(COO)	C[6](C[5,6]C[5,6]P[5])(C[6]C[3,6]O)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[5,6]H)(O){1|C<3>,1|C<4>,1|P<4>}	C[3,6](C[3,6]C[5,6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(COO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]P[5])(C[6]C[3,6]O)(H){1|O<2>,1|W<6>,2|C<3>,4|C<4>}	115.0020	0.000	1	115.0020	0.000	1	115.0020	0.000	1	115.0020	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:2:3:4:	3:3:1:	C[3,6]-4:C[6]-3:O-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[6]-3:C[6]-3:Br-1:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]Br)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHH)	C[6](C[6]C[3,6]O)(C[6]C[6,6]C)(Br)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]Br)(O){1|H<1>,2|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHH){1|Br<1>,1|C<3>,2|O<2>}	C[6](C[6]C[3,6]O)(C[6]C[6,6]C)(Br){2|C<4>,3|O<2>}	116.5590	0.000	1	116.5590	0.000	1	116.5590	0.000	1	116.5590	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:2:3:4:	3:3:3:	C[3,6]-4:C[6]-3:O-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO)	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHO)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(O){1|Br<1>,1|C<4>,1|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO){2|C<3>,2|O<2>}	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHO){2|C<4>,3|O<2>}	118.4420	0.000	2	118.4420	0.000	2	118.4420	0.000	2	118.6700	0.179	4	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:2:3:4:	3:3:3:	C[3,6]-4:C[6]-3:O-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]N)(O)	C[3,6](C[3,6]C[6]O[3]O)(O[3]C[3,6])(C[6]C[6]O)(CCHH)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(NCH)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	C[3,6](C[3,6]C[6]O[3]O)(O[3]C[3,6])(C[6]C[6]O)(CCHH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[3,6]O)(C[6]C[6]H)(NCH){1|O<1>,1|O<2>,2|C<4>}	118.8980	0.573	2	118.8980	0.328	2	118.8980	0.328	2	118.6700	0.179	4	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:2:3:4:	3:3:4:	C[3,6]-4:C[6]-3:O-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6,6]C)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHO)	C[6](C[6,6]C[6,6]O[6])(C[6]C[3,6]O)(CH3)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6,6]C)(O){1|C<4>,1|H<1>,1|O<2>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHO){1|C<3>,1|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[3,6]O)(CH3){3|C<4>,3|O<2>}	120.2380	0.000	1	120.2380	0.000	1	120.2380	0.000	1	119.2473	0.736	3	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:2:3:4:	3:3:4:	C[3,6]-4:C[6]-3:O-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO)	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHHO)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(O){1|Br<1>,1|C<4>,1|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO){1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHHO){2|C<4>,3|O<2>}	118.7520	0.000	2	118.7520	0.000	2	118.7520	0.000	2	119.2473	0.736	3	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:3:3:1:	3:4:1:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:N[3]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]H)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]H)(H)	C[6](C[6]C[3,6]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[3,6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	118.2280	0.000	1	118.2280	0.000	1	118.2280	0.000	1	118.2280	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:3:3:1:	4:3:3:	C[3,6]-4:C[6]-3:H-1:	C[3,5,6]-4:N[3,5]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[3,6]C[3,5,6]N[3,5]H)(C[6]C[6]C)(H)	C[3,6](C[3,5,6]C[5,6a]N[3,5]C[6])(N[3,5]C[3,5,6]S[5])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(COO)	C[6](C[3,6]C[3,5,6]N[3,5]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[3,6](C[3,5,6]C[5,6a]N[3,5]C[6])(N[3,5]C[3,5,6]S[5])(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(COO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.6230	0.000	1	121.6230	0.000	1	121.6230	0.000	1	121.6230	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:3:3:2:	3:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[6]-3:C[6]-3:O[3]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]H)(H)	C[3,6](C[3]C[5]O[3]H)(C[6]C[6]C)(C[6]C[6]H)(O[3]C[3])	C[6](C[6]C[3,6]H)(C[6]C[6]O)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[3,6](C[3]C[5]O[3]H)(C[6]C[6]C)(C[6]C[6]H)(O[3]C[3]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	122.2170	0.000	1	122.2170	0.000	1	122.2170	0.000	1	122.2170	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:3:3:4:	3:3:4:	C[3,6]-4:C[6]-3:H-1:	C[3,5,6]-4:P[3,5]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[3,6]C[3,5,6]P[3,5]C)(C[6]C[6]C)(H)	C[3,6](C[3,5,6]N[5,6]P[3,5]C[6])(P[3,5]C[3,5,6]C[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6]H)(C[6]C[6]H)(CH3)	C[6](C[3,6]C[3,5,6]P[3,5]C)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[3,6](C[3,5,6]N[5,6]P[3,5]C[6])(P[3,5]C[3,5,6]C[5])(C[6]C[6]H)(CH3){3|C<3>,3|C<4>}	C[6](C[6]C[3,6]H)(C[6]C[6]H)(CH3){1|P<3>,3|C<4>}	124.2470	0.000	1	124.2470	0.000	1	124.2470	0.000	1	124.2470	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:2:3:	3:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[3]-4:O[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6]H)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(O[6]C[6,6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]H)(H)	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6]H)(H){3|C<3>,3|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(O[6]C[6,6])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]H)(H){1|O<1>,1|O<2>,4|C<4>}	119.7410	0.000	1	119.7410	0.000	1	119.7410	0.000	1	119.7410	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:1:	3:2:1:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]H)(N[6]C[6])(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H){1|C<4>,3|C<3>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[3,6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,2|C<4>}	120.9230	0.000	1	120.9230	0.000	1	120.9230	0.000	1	120.9230	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]H)(C[6]C[6]O)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]H)(H){1|O<1>,4|C<4>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[3,6]H)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	123.9550	0.000	1	123.9550	0.000	1	123.9550	0.000	1	120.9984	6.469	14	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]H)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	122.3180	0.000	1	122.3180	0.000	1	122.2378	0.081	4	120.9984	6.469	14	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]H)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]H)(H){2|H<1>,3|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	122.4050	0.088	2	122.2110	0.117	3	122.2378	0.081	4	120.9984	6.469	14	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]H)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]H)(H){2|H<1>,3|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.8230	0.000	1	122.2110	0.117	3	122.2378	0.081	4	120.9984	6.469	14	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H){2|C<3>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H){1|H<1>,3|C<4>}	121.3950	0.000	1	121.3950	0.000	1	121.3567	0.003	3	120.9984	6.469	14	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H){1|C<3>,1|P<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	121.3375	0.064	2	121.3375	0.004	2	121.3567	0.003	3	120.9984	6.469	14	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H){1|N<3>,3|H<1>}	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H){2|C<4>,3|H<1>}	122.7950	0.000	1	122.7950	0.000	1	122.7950	0.000	1	120.9984	6.469	14	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)	C[3,6](C[3]C[3,6]C[6a]C)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[3,6](C[3]C[3,6]C[6a]C)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	122.0240	0.000	1	122.0240	0.000	1	122.0240	0.000	1	120.9984	6.469	14	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H){2|C<4>,3|H<1>}	122.5300	0.000	1	122.5300	0.000	1	122.5300	0.000	1	120.9984	6.469	14	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3,6]-4:C[6]-3:O-1:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]Br)(O)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]O)(H)	C[6](C[6]C[3,6]O)(C[6]C[5,6]H)(Br)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]Br)(O){1|C<4>,2|C<3>,2|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[3,6]O)(C[6]C[5,6]H)(Br){1|H<1>,1|O<2>,3|C<4>}	115.2390	0.000	1	115.2390	0.000	1	115.2390	0.000	1	120.9984	6.469	14	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3,6]-4:C[6]-3:O-1:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(O)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]O)(H)	C[6](C[6]C[3,6]O)(C[6]C[5,6]H)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]O)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[3,6]O)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	117.3240	0.000	1	117.3240	0.000	1	117.3240	0.000	1	120.9984	6.469	14	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:1:	3:3:1:	C[3,6]-4:C[6]-3:O-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]H)(O)	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]H)(O){1|C<3>,1|C<4>,3|H<1>}	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(H){1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	117.0900	0.000	1	117.0900	0.000	1	117.0900	0.000	1	120.9984	6.469	14	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:1:	3:3:4:	C[3,6]-4:C[6]-3:O-1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CH3)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|O<1>,5|C<3>}	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	118.8600	0.000	1	118.8600	0.000	1	118.8600	0.000	1	118.8600	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[3,6]-4:C[6]-3:F-1:	C[3]-4:C[3,6]-4:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6](C[3,6]C[3,6]C[3]F)(C[6]C[6]F)(F)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]F)(C[6]C[6]F)(F)	C[6](C[6]C[6]ClF)(C[6]C[3,6]F)(F)	C[6](C[3,6]C[3,6]C[3]F)(C[6]C[6]F)(F){1|Cl<1>,1|H<1>,2|C<3>,2|F<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]F)(C[6]C[6]F)(F){1|C<4>,1|F<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6]ClF)(C[6]C[3,6]F)(F){1|F<1>,1|O<1>,2|C<4>}	123.3250	1.189	2	123.3250	1.415	2	123.3250	1.415	2	121.5373	0.765	32	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[3,6]H)(H)	C[3,6](C[3,5,6]C[3,5,6]C[3,5]H)(C[3,5]C[3,5,6]C[5]Si)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[3,6]H)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[3,6]H)(H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,5,6]C[3,5,6]C[3,5]H)(C[3,5]C[3,5,6]C[5]Si)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[3,6]H)(H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	122.0570	0.349	2	122.0570	0.122	2	122.0570	0.122	2	121.5373	0.765	32	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(H)	C[3,6](C[3,5,6]C[3,5]C[5,6]C)(C[3,5]C[3,5,6]O[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[3,6]H)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,5,6]C[3,5]C[5,6]C)(C[3,5]C[3,5,6]O[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[3,6]H)(H){1|C<3>,2|C<4>,2|H<1>}	122.4770	0.000	1	122.4770	0.000	1	122.4770	0.000	1	121.5373	0.765	32	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]H)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]H)(H){1|O<2>,2|H<1>,3|C<4>}	123.3650	0.000	1	123.3650	0.000	1	122.9103	0.185	3	121.5373	0.765	32	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]H)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]H)(H){1|O<2>,2|H<1>,3|C<4>}	122.6830	0.243	2	122.6830	0.059	2	122.9103	0.185	3	121.5373	0.765	32	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]H)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.8656	0.340	12	120.8985	0.123	14	121.1343	0.193	24	121.5373	0.765	32	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]H)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H){2|H<1>,4|C<3>}	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.0960	0.484	2	120.8985	0.123	14	121.1343	0.193	24	121.5373	0.765	32	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:1:	4:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[3,6]H)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[3,6]H)(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	121.4644	0.328	10	121.4644	0.108	10	121.1343	0.193	24	121.5373	0.765	32	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:1:	4:3:4:	C[3,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]C)(H)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]O[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[3,6]H)(CH3)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]C)(H){1|O<2>,2|C<4>,3|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]O[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[3,6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	123.4240	0.000	1	123.4240	0.000	1	123.4240	0.000	1	123.4240	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:2:	3:3:1:	C[3,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[3]-4:C[6]-3:O[3]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6]C[5,6,6]C[3]O[3])(C[6]C[6]H)(H)	C[3,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[3]O[3]HH)(C[6]C[6]H)(O[3]C[3])	C[6](C[6]C[5,6,6]O)(C[6]C[3,6]H)(H)	C[6](C[3,6]C[5,6,6]C[3]O[3])(C[6]C[6]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[3,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[3]O[3]HH)(C[6]C[6]H)(O[3]C[3]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6,6]O)(C[6]C[3,6]H)(H){1|H<1>,1|O<2>,3|C<4>}	123.9670	0.000	1	123.9670	0.000	1	123.9670	0.000	1	123.9670	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:2:	3:3:4:	C[3,6]-4:C[6]-3:O-1:	C[3x6]-4:C[3]-4:C[6]-3:O[3]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]C)(O)	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3])	C[6](C[6]C[3,6]O)(C[6]C[3x6]C)(CH3)	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]C)(O){3|C<4>,3|H<1>}	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3]){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]O)(C[6]C[3x6]C)(CH3){1|H<1>,1|O<2>,3|C<4>}	112.7580	0.000	1	112.7580	0.000	1	113.0303	0.466	3	113.0303	0.466	3	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:2:	3:3:4:	C[3,6]-4:C[6]-3:O-1:	C[3x6]-4:C[3]-4:C[6]-3:O[3]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]C)(O)	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3])	C[6](C[6]C[3,6]O)(C[6]C[3x6]H)(CCHH)	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]C)(O){2|C<4>,4|H<1>}	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3]){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,6]O)(C[6]C[3x6]H)(CCHH){1|H<1>,1|O<2>,3|C<4>}	113.1665	0.906	2	113.1665	0.820	2	113.0303	0.466	3	113.0303	0.466	3	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:3:	3:2:1:	C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[6]-3:O[6]-2:H-1:	C[6](C[3,6]C[3,6,6]C[3,6]C[6a])(C[6]O[6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[6]O[6])(C[3,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[3,6]H)(O[6]C[6])(H)	C[6](C[3,6]C[3,6,6]C[3,6]C[6a])(C[6]O[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[3,6](C[3,6,6]C[3,6]C[6]O[6])(C[3,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[3,6]H)(O[6]C[6])(H){2|C<4>,3|C<3>}	120.9930	0.000	1	120.9930	0.000	1	120.9930	0.000	1	121.3935	0.321	2	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:3:	3:2:1:	C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[6]-3:O[6]-2:H-1:	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]O[6]H)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[3,6]H)(O[6]C[6])(H)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]O[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[3,6]H)(O[6]C[6])(H){1|C<3>,1|H<1>,3|C<4>}	121.7940	0.000	1	121.7940	0.000	1	121.7940	0.000	1	121.3935	0.321	2	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:3:	3:2:4:	C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]O[6]C)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[3,6]H)(O[6]C[6])(CCCH)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]O[6]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[3,6]H)(O[6]C[6])(CCCH){1|C<3>,2|C<4>,2|H<1>}	122.1920	0.000	1	122.1920	0.000	1	122.1920	0.000	1	122.1920	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]N)(C[6]C[6,6a]H)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(NOO)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[3,6]H)(H)	C[6](C[3,6]C[3,6]C[3]N)(C[6]C[6,6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(NOO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[3,6]H)(H){1|N<3>,2|C<3>,2|C<4>}	120.8765	0.272	2	120.8765	0.074	2	120.8765	0.074	2	121.6660	1.907	3	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:3:	3:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]H)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H){1|C<3>,2|C<4>,2|H<1>}	123.2450	0.000	1	123.2450	0.000	1	123.2450	0.000	1	121.6660	1.907	3	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:3:	3:3:2:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(OC)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(OC){1|H<1>,2|C<4>,3|C<3>}	122.5075	0.283	4	122.5075	0.080	4	122.5075	0.080	4	122.5075	0.080	4	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:3:	3:3:4:	C[3,6]-4:C[6]-3:H-1:	C[3,5]-4:C[3]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[3,6]C[3,5]C[3]C[6])(C[6]C[6]C)(H)	C[3,6](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6]C[6]H)2	C[6](C[6]C[3,6]H)(C[6]C[6]O)(CC3)	C[6](C[3,6]C[3,5]C[3]C[6])(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[3,6](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6]C[6]H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[3,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	123.4090	0.916	2	123.4090	0.840	2	123.4090	0.840	2	122.9014	2.661	9	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:3:	3:3:4:	C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H)2	C[6](C[6]C[3,6]H)(C[6]C[6]O)(CC3)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H){1|O<1>,3|C<3>,3|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H)2{2|C<4>,3|C<3>}	C[6](C[6]C[3,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	123.4365	0.269	6	123.4365	0.072	6	123.4365	0.072	6	122.9014	2.661	9	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:3:	3:3:4:	C[3,6]-4:C[6]-3:O-1:	C[3,6]-4:C[3]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(CCO)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CH3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(CCO){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>}	118.6760	0.000	1	118.6760	0.000	1	118.6760	0.000	1	122.9014	2.661	9	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:3:	3:4:1:	C[3,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(C[6]C[6]H)(H)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[3,5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[3,6]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[3,5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[3,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	124.3560	0.066	2	124.3560	0.004	2	124.0650	0.256	3	124.0650	0.256	3	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:3:	3:4:1:	C[3,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(C[6]C[6]H)(H)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[3,6]H)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(C[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[6]C[3,6]H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	123.4830	0.000	1	123.4830	0.000	1	124.0650	0.256	3	124.0650	0.256	3	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:3:	3:4:2:	C[3,6]-4:C[6]-3:C-1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C-2:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(C)	C[3,6](C[3]C[3]HH)2(C[6]C[6]C)(C[6]N[6]O)	C[6](C[6]C[3,6]C)(C[6]N[6]HH)(CN)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(C){1|N<3>,1|O<1>,6|H<1>}	C[3,6](C[3]C[3]HH)2(C[6]C[6]C)(C[6]N[6]O){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[3,6]C)(C[6]N[6]HH)(CN){2|C<3>,2|C<4>}	118.6210	0.000	1	118.6210	0.000	1	118.6210	0.000	1	118.6210	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:3:	4:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3,4,6]-4:O[3,4]-4:C[6]-3:C-3:	C[4,6]-4:C[6]-3:H-1:	C[6](C[3,6]C[3,4,6]O[3,4]C)(C[6]C[4,6]H)(H)	C[3,6](C[3,4,6]C[4,4,6]O[3,4]H)(O[3,4]C[3,4,6]C[4,4]H)(C[6]C[6]H)(CC[5a]2)	C[6](C[4,6]C[4,4,6]H[4]H)(C[6]C[3,6]H)(H)	C[6](C[3,6]C[3,4,6]O[3,4]C)(C[6]C[4,6]H)(H){1|C<4>,1|C<5>,1|H<2>,3|H<1>}	C[3,6](C[3,4,6]C[4,4,6]O[3,4]H)(O[3,4]C[3,4,6]C[4,4]H)(C[6]C[6]H)(CC[5a]2){1|C<4>,1|H<2>,4|H<1>}	C[6](C[4,6]C[4,4,6]H[4]H)(C[6]C[3,6]H)(H){1|C<3>,1|C<4>,1|C<5>,1|H<1>,1|O<4>}	122.4940	0.000	1	122.4940	0.000	1	122.4940	0.000	1	122.4940	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:3:	4:3:4:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:C[6]-3:S-4:	C[6](C[3,6]C[3,6,6]C[3,6]C[6a])(C[6]C[6,6]S)(H)	C[3,6](C[3,6]C[3,6,6]C[6,6a]H)(C[3,6,6]C[3,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[3,6]H)(SC[6a]OO)	C[6](C[3,6]C[3,6,6]C[3,6]C[6a])(C[6]C[6,6]S)(H){1|C<4>,3|H<1>,4|C<3>}	C[3,6](C[3,6]C[3,6,6]C[6,6a]H)(C[3,6,6]C[3,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[3,6]H)(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	121.6270	0.000	1	121.6270	0.000	1	121.6270	0.000	1	121.6270	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]C)(C[6]N[6]H)(H)	C[3,6](C[3,6]C[3]2C[6])(C[3]C[3,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]N[6]H)(H){1|S<4>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]2C[6])(C[3]C[3,6]HH)(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H){2|H<1>,3|C<4>}	123.2910	0.000	1	123.2910	0.000	1	123.7720	0.463	2	122.3297	6.472	3	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]C)(C[6]N[6]H)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]N[6]H)(H){1|S<4>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(CH3){1|N<3>,3|H<1>}	C[6](C[6]C[3,6]H)(N[6]C[6]S)(H){2|H<1>,3|C<4>}	124.2530	0.000	1	124.2530	0.000	1	123.7720	0.463	2	122.3297	6.472	3	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:4:	3:3:1:	C[3,6]-4:C[6]-3:O-1:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]H)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[3,6]O)(C[6]C[6]C)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[3,6]O)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	119.4450	0.000	1	119.4450	0.000	1	119.4450	0.000	1	122.3297	6.472	3	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:4:	3:3:4:	C[3,6]-4:C[6]-3:O-1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(CC3)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CC3)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CC3){5|C<4>}	117.7720	0.000	1	117.7720	0.000	1	117.7720	0.000	1	117.7720	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	4:4:3:4:	4:3:4:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:S-4:	C[6]-4:C[6]-3:S-4:	C[6](C[3,6]C[3,6]C[3]S)(C[6]C[6]S)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(SC[6a]OO)	C[6](C[3,6]C[3,6]C[3]S)(C[6]C[6]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[3,6]H)(SC[6a]OO){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	121.7840	0.000	1	121.7840	0.000	1	121.7840	0.000	1	121.7840	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:1:	6:4:3:3:	3:3:1:	C[3,6]-4:C[6]-3:H-1:	Nb[3,4]-6:C[3]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6]Nb[3,4]C[3]C[6])(C[6]C[6]H)(H)	C[3,6](Nb[3,4]C[3]N[4]2CN)(C[3]Nb[3,4]HH)(C[6]C[6]H)2	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H)	C[6](C[3,6]Nb[3,4]C[3]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	C[3,6](Nb[3,4]C[3]N[4]2CN)(C[3]Nb[3,4]HH)(C[6]C[6]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H){1|Nb<6>,1|C<3>,1|C<4>,1|H<1>}	122.2245	0.960	2	122.2245	0.921	2	122.2245	0.921	2	122.2245	0.921	2	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:2:	4:4:3:1:	3:3:1:	C[3,6]-4:C[6]-3:N-2:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(NS)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[3,6]N)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(NS){2|H<1>,3|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]N)(H){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6]C[3,6]N)(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<4>}	118.6480	0.048	2	118.6480	0.002	2	118.6480	0.002	2	119.7097	3.383	3	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:2:	4:4:3:1:	3:3:1:	C[3,6]-4:C[6]-3:O-2:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(OC)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(OC){2|C<3>,3|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(H){1|H<1>,4|C<3>}	C[6](C[6]C[3,6]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	121.8330	0.000	1	121.8330	0.000	1	121.8330	0.000	1	119.7097	3.383	3	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:3:	4:3:3:3:	3:4:2:	C[3,6]-4:C[6]-3:C-3:	C[3]-4:C[3]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C-2:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(CHH)	C[3,6](C[3]C[3]HH)(C[3]C[3]H)(C[6]C[6]C)(C[6]N[6]O)	C[6](C[6]C[3,6]C)(C[6]N[6]HH)(CN)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(CHH){1|N<3>,1|O<1>,5|H<1>}	C[3,6](C[3]C[3]HH)(C[3]C[3]H)(C[6]C[6]C)(C[6]N[6]O){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[3,6]C)(C[6]N[6]HH)(CN){1|C<4>,3|C<3>}	118.6150	0.000	1	118.6150	0.000	1	118.6150	0.000	1	118.6150	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:3:	4:4:3:1:	3:3:1:	C[3,6]-4:C[6]-3:C-3:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CNO)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[3,6]C)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CNO){2|C<3>,3|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[3,6]C)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>}	119.7840	0.000	1	119.7840	0.000	1	119.7840	0.000	1	119.7840	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:3:	4:4:3:2:	4:3:1:	C[3,6]-4:C[6]-3:C-3:	C[5,6]-4:C[3]-4:C[6]-3:O[3]-2:	C[6]-4:C[6]-3:O-1:	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]O)(CCC)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3]O[3]CC)(C[6]C[6]C)(O[3]C[3])	C[6](C[6]C[5,6]HH)(C[6]C[3,6]C)(O)	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]O)(CCC){3|H<1>,4|C<4>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3]O[3]CC)(C[6]C[6]C)(O[3]C[3]){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[3,6]C)(O){1|H<1>,1|O<2>,3|C<4>}	108.7250	0.000	1	108.7250	0.000	1	108.7250	0.000	1	108.7250	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:4:	2:4:4:3:	3:3:4:	C[3,6]-4:C[6]-3:C-4:	O[6]-2:C[3]-4:C[3]-4:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]C)(CCHH)	C[3,6](O[6]C[6,6a])(C[3]C[3]HH)2(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(CH3)	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]C)(CCHH){2|C<3>,4|H<1>}	C[3,6](O[6]C[6,6a])(C[3]C[3]HH)2(C[6]C[6]C){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	116.2880	0.000	1	116.2880	0.000	1	116.2880	0.000	1	116.2880	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[3,6]-4:C[6]-3:C-4:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(CH3)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]C)(H)	C[6](C[6]C[3,6]C)(C[6]C[6]C)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(CH3){1|C<3>,4|C<4>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](C[6]C[3,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>}	120.6660	0.000	1	120.6660	0.000	1	120.6660	0.000	1	120.0400	0.784	2	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:4:	4:4:3:1:	3:3:1:	C[3,6]-4:C[6]-3:C-4:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CHHN)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[3,6]C)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CHHN){2|C<3>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[3,6]C)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	119.4140	0.000	1	119.4140	0.000	1	119.4140	0.000	1	120.0400	0.784	2	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:4:	4:4:3:1:	3:4:1:	C[3,6]-4:C[6]-3:C-4:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[3,6]C)(C[6]C[6]HH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CC[6]HH){3|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]C[6]H)(C[6]C[6]C)(H){3|C<4>,4|H<1>}	C[6](C[6]C[3,6]C)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	119.6090	0.000	1	119.6090	0.000	1	119.6090	0.000	1	119.6090	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:3:4:	4:4:3:1:	4:3:1:	C[3,6]-4:C[6]-3:C-4:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]H)(CH3)	C[3,6](C[3,6]C[5,6]C[3]H)(C[3]C[3,6]OO)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]C)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]H)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[3,6](C[3,6]C[5,6]C[3]H)(C[3]C[3,6]OO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]C)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	121.4430	0.000	1	121.4430	0.000	1	121.4430	0.000	1	121.4430	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	762	6:SP2_SP2_SP3	C[6]	C[3,6]	C[6]	4:4:3:	4:3:3:2:	3:3:1:	C[3,6]-4:C-4:C[6]-3:	C[3]-4:C[6]-3:C[6]-3:O[3]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3]C[6]O[3])(CC[5,6]HH)(C[6]C[6]H)	C[3,6](C[3]C[5]O[3]H)(C[6]C[6]C)(C[6]C[6]H)(O[3]C[3])	C[6](C[6]C[3,6]C)(C[6]C[6]O)(H)	C[6](C[3,6]C[3]C[6]O[3])(CC[5,6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3,6](C[3]C[5]O[3]H)(C[6]C[6]C)(C[6]C[6]H)(O[3]C[3]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.4830	0.000	1	118.4830	0.000	1	118.4830	0.000	1	118.4830	0.000	1	120.6619	7.357	129	120.3004	7.701	195
762	486	790	0:SP2_SP-NON_SP3	C[6]	C[3,6]	Cl	4:2:1:	4:4:3:1:	3:	C[3,6]-4:N[6]-2:Cl-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(N[6]N[5a,6])(Cl)	C[3,6](C[3,6]C[5a,6]C[3]H)(C[3]C[3,6]CH)(C[6]N[6]Cl)(H)	Cl(C[6]C[3,6]N[6])	C[6](C[3,6]C[3,6]C[3]H)(N[6]N[5a,6])(Cl){2|H<1>,3|C<3>}	C[3,6](C[3,6]C[5a,6]C[3]H)(C[3]C[3,6]CH)(C[6]N[6]Cl)(H){1|N<2>,1|N<3>}	Cl(C[6]C[3,6]N[6])	115.7175	0.265	2	115.7175	0.070	2	115.7175	0.070	2	115.7175	0.070	2	115.7175	0.070	2	115.7175	0.070	2
762	486	818	6:SP2_SP2_SP3	C[6]	C[3,6]	C[5,6]	4:3:1:	3:4:3:2:	3:3:4:	C[3,6]-4:C[5,6]-3:H-1:	C[6]-3:C[3]-4:C[6]-3:O[3]-2:	C[5,6]-3:C[6]-3:C[5]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5,6]C[5])(H)	C[3,6](C[6]C[5,6]H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3])	C[5,6](C[5,6]C[6]N[5])(C[6]C[3,6]H)(C[5]C[5]CC)	C[6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5,6]C[5])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[6]C[5,6]H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3]){1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[3,6]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	119.5690	0.000	1	119.5690	0.000	1	119.5690	0.000	1	119.5690	0.000	1	119.5690	0.000	1	119.5690	0.000	1
762	486	830	0:SP2_SP-NON_SP3	C[6]	C[3,6]	F	4:3:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-3:F-1:	C[3]-4:C[3,6]-4:C[6]-3:F-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]F)(C[6]C[6]F)(F)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]F)(C[6]C[6]F)(F)	F(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]F)(C[6]C[6]F)(F){1|Cl<1>,1|H<1>,2|C<3>,2|F<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]F)(C[6]C[6]F)(F){1|C<4>,1|F<1>,1|O<1>,2|C<3>}	F(C[6]C[3,6]C[6])	115.1800	0.083	2	115.1800	0.007	2	115.1800	0.007	2	115.1800	0.007	2	115.1800	0.007	2	115.1800	0.007	2
762	486	849	6:SP2_SP3_SP3	C[6]	C[3,6]	P[6]	4:4:3:	4:4:3:3:	3:3:3:4:	C[3,6]-4:P[6]-4:C-3:	C[3,6]-4:C[3]-4:C[6]-3:C-3:	C[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(P[6]C[6a]2C[6])(COO)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]P[6]C)(COO)	P[6](C[6]C[3,6]C)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](C[3,6]C[3,6]C[3]C)(P[6]C[6a]2C[6])(COO){1|C<4>,4|C<3>,5|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]P[6]C)(COO){1|C<4>,2|C<3>,2|H<1>}	P[6](C[6]C[3,6]C)(C[6a]C[6a]2)2(C[6]C[6]HH){2|H<1>,5|C<3>,6|C<4>}	120.9540	0.000	1	120.9540	0.000	1	120.9540	0.000	1	120.9540	0.000	1	120.9540	0.000	1	120.9540	0.000	1
762	486	856	0:SP2_SP2_SP3	C[6]	C[3]	N[6,6]	3:2:4:	3:4:4:1:	3:4:3:	N[6,6]-3:N[6]-2:C[3]-4:	C[6]-3:C[3]-4:C[3]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6a])(C[3]C[3]2H)	C[3](C[6]N[6,6]N[6])(C[3]C[3]HH)2(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[3]N[6])	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6a])(C[3]C[3]2H){1|N<3>,4|C<3>,5|H<1>}	C[3](C[6]N[6,6]N[6])(C[3]C[3]HH)2(H){1|C<4>,2|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[3]N[6]){2|C<4>,3|H<1>,5|C<3>}	117.9440	0.000	1	117.9440	0.000	1	117.9440	0.000	1	117.9440	0.000	1	117.9440	0.000	1	117.9440	0.000	1
762	486	856	0:SP2_SP3_SP3	C[6]	C[3]	N[6]	3:3:4:	3:4:4:1:	4:3:3:	N[6]-3:C[6]-3:C[3]-4:	C[6]-3:C[3]-4:C[3]-4:H-1:	S[6]-4:C[6]-3:C[6a]-3:	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(C[3]C[3]2H)	C[3](C[6]C[6]N[6])(C[3]C[3]HH)2(H)	N[6](S[6]C[6,6a]OO)(C[6]C[3]C[6])(C[6a]C[6a]2)	C[6](N[6]C[6a]S[6])(C[6]C[6,6a]H)(C[3]C[3]2H){2|O<1>,4|C<3>,4|H<1>}	C[3](C[6]C[6]N[6])(C[3]C[3]HH)2(H){1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[3]C[6])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	114.2470	0.000	1	114.2470	0.000	1	114.2470	0.000	1	114.2470	0.000	1	114.2470	0.000	1	114.2470	0.000	1
762	486	856	6:SP2_SP2_SP3	C[6]	C[3,6,6]	N[6,6]	4:3:1:	4:2:3:4:	3:4:4:	C[3,6,6]-4:N[6,6]-3:O-1:	C[3,6,6]-4:O[3]-2:C[6]-3:C[6]-4:	C[6]-3:C[6,6]-4:C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(N[6,6]C[6,6]C[6])(O)	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]N[6,6]O)(C[6]C[6]HH)	N[6,6](C[6]C[3,6,6]O)(C[6,6]C[6]2H)(C[6]C[6]CH)	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>}	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]N[6,6]O)(C[6]C[6]HH){4|H<1>,5|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>}	118.9390	0.000	1	118.9390	0.000	1	118.9390	0.000	1	118.9390	0.000	1	118.9390	0.000	1	116.2893	2.226	25
762	486	856	6:SP2_SP2_SP3	C[6]	C[3,6,6]	N[6]	4:3:1:	4:3:2:3:	3:4:4:	C[3,6,6]-4:N[6]-3:O-1:	C[3,6]-4:N[6,6]-3:O[3]-2:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[3,6,6]C[3,6]N[6,6]O[3])(N[6]C[6]C)(O)	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O)	N[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CC[6a]HH)	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>}	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|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>}	115.8783	0.348	3	115.8783	0.121	3	115.8783	0.121	3	115.8783	0.121	3	115.8783	0.121	3	116.2893	2.226	25
762	486	856	6:SP2_SP2_SP3	C[6]	C[3,6]	N[6,6]	4:3:1:	3:3:4:4:	3:3:4:	C[3,6]-4:N[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[3]-4:C[3]-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[3,6]C[6,6a]C[3]2)(N[6,6]C[6,6]C[6])(O)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[3]C[3]HH)2	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[3,6]O)(C[6]C[6]HH)	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>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[3]C[3]HH)2{1|C<4>,1|H<1>,3|C<3>}	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>}	118.3690	0.000	1	118.3690	0.000	1	118.3690	0.000	1	118.3690	0.000	1	117.5890	1.217	2	116.2893	2.226	25
762	486	856	6:SP2_SP2_SP3	C[6]	C[3,6]	N[6,6]	4:3:1:	4:3:2:1:	4:3:4:	C[3,6]-4:N[6,6]-3:O-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(N[6,6]C[6,6]C[6])(O)	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6,6]O)(O[3]C[3,6])(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH)	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>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6,6]O)(O[3]C[3,6])(H){2|C<4>,2|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>}	116.8090	0.000	1	116.8090	0.000	1	116.8090	0.000	1	116.8090	0.000	1	117.5890	1.217	2	116.2893	2.226	25
762	486	856	6:SP2_SP2_SP3	C[6]	C[3,6]	N[6]	4:3:1:	3:3:3:2:	3:3:3:	C[3,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[3]-3:C[6]-3:O[3]-2:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[3,6]C[6,6a]C[3]O[3])(N[6]C[6a]C[6])(O)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]O[3])(C[6]N[6]O)(O[3]C[3])	N[6](C[6]C[6,6a]N)(C[6]C[3,6]O)(C[6a]C[6a]2)	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>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]O[3])(C[6]N[6]O)(O[3]C[3]){1|H<1>,6|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>}	114.5200	0.000	1	114.5200	0.000	1	114.5200	0.000	1	114.5200	0.000	1	116.0779	2.234	19	116.2893	2.226	25
762	486	856	6:SP2_SP2_SP3	C[6]	C[3,6]	N[6]	4:3:1:	4:2:3:1:	3:4:4:	C[3,6]-4:N[6]-3:O-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(O)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H)	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H){1|H<1>,1|O<2>,2|C<4>}	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>}	117.3880	0.119	2	117.3880	0.014	2	117.3880	0.014	2	117.3880	0.014	2	116.0779	2.234	19	116.2893	2.226	25
762	486	856	6:SP2_SP2_SP3	C[6]	C[3,6]	N[6]	4:3:1:	4:2:3:1:	4:3:4:	C[3,6]-4:N[6]-3:O-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[5,6]C)(O)	C[3,6](C[3,6]C[5,6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H)	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[3,6]O)(CC[6a]HH)	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[5,6]C)(O){2|C<4>,2|H<1>}	C[3,6](C[3,6]C[5,6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H){1|H<1>,1|O<2>,2|C<4>}	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>}	117.6340	0.000	1	117.6340	0.000	1	117.6340	0.000	1	117.6340	0.000	1	116.0779	2.234	19	116.2893	2.226	25
762	486	856	6:SP2_SP2_SP3	C[6]	C[3,6]	N[6]	4:3:1:	4:2:3:4:	3:4:4:	C[3,6]-4:N[6]-3:O-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[6]-3:C[6]-4:C-4:	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]C)(O)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(CHHO)	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH)	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(CHHO){2|C<4>,2|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>}	116.0780	0.000	1	116.0780	0.000	1	116.0780	0.000	1	116.0780	0.000	1	116.0779	2.234	19	116.2893	2.226	25
762	486	856	6:SP2_SP2_SP3	C[6]	C[3,6]	N[6]	4:3:1:	4:3:2:2:	3:4:4:	C[3,6]-4:N[6]-3:O-1:	C[3]-4:C[6]-3:O[3]-2:O[6]-2:	C[6]-3:C[6]-4:C-4:	C[6](C[3,6]C[3]O[3]O[6])(N[6]C[6]C)(O)	C[3,6](C[3]O[3]CH)(C[6]N[6]O)(O[3]C[3])(O[6]C[6])	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3)	C[6](C[3,6]C[3]O[3]O[6])(N[6]C[6]C)(O){2|H<1>,3|C<4>}	C[3,6](C[3]O[3]CH)(C[6]N[6]O)(O[3]C[3])(O[6]C[6]){1|C<3>,1|H<1>,2|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>}	116.7870	0.000	1	116.7870	0.000	1	116.7870	0.000	1	116.7870	0.000	1	116.0779	2.234	19	116.2893	2.226	25
762	486	856	6:SP2_SP2_SP3	C[6]	C[3,6]	N[6]	4:3:1:	4:3:3:2:	4:3:4:	C[3,6]-4:N[6]-3:O-1:	C[3]-4:C[6]-3:N[6]-3:O[3]-2:	C[3,6]-4:C[6]-3:C-4:	C[6](C[3,6]C[3]N[6]O[3])(N[6]C[3,6]C)(O)	C[3,6](C[3]C[6a]O[3]H)(C[6]N[6]O)(N[6]C[6]C)(O[3]C[3])	N[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]O)(CH3)	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>}	C[3,6](C[3]C[6a]O[3]H)(C[6]N[6]O)(N[6]C[6]C)(O[3]C[3]){1|O<1>,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>}	113.8960	0.272	3	113.8960	0.074	3	113.8960	0.074	3	113.8960	0.074	3	116.0779	2.234	19	116.2893	2.226	25
762	486	856	6:SP2_SP2_SP3	C[6]	C[3,6]	N[6]	4:3:1:	4:3:3:3:	3:3:4:	C[3,6]-4:N[6]-3:O-1:	C[3]-4:C[3]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[3,6]C[3]2C[6])(N[6]C[6a]C[6])(O)	C[3,6](C[3]C[3]HH)(C[3]C[3]H)(C[6]C[6]C)(C[6]N[6]O)	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[3,6]C[3]2C[6])(N[6]C[6a]C[6])(O){4|C<3>,5|H<1>}	C[3,6](C[3]C[3]HH)(C[3]C[3]H)(C[6]C[6]C)(C[6]N[6]O){1|C<2>,1|C<3>,1|C<4>}	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>}	117.9220	0.000	1	117.9220	0.000	1	117.9220	0.000	1	117.9220	0.000	1	116.0779	2.234	19	116.2893	2.226	25
762	486	856	6:SP2_SP2_SP3	C[6]	C[3,6]	N[6]	4:3:1:	4:4:3:3:	3:3:4:	C[3,6]-4:N[6]-3:O-1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[3,6]C[3]2C[6])(N[6]C[6]C)(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[6]N[6]O)2	N[6](C[6]C[3,6]O)(C[6]N[6]O)(CH3)	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>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[6]N[6]O)2{2|C<4>,3|C<3>}	N[6](C[6]C[3,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	116.2095	0.716	2	116.2262	0.172	4	116.2262	0.172	4	116.5414	0.625	5	116.0779	2.234	19	116.2893	2.226	25
762	486	856	6:SP2_SP2_SP3	C[6]	C[3,6]	N[6]	4:3:1:	4:4:3:3:	3:3:4:	C[3,6]-4:N[6]-3:O-1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[3,6]C[3]2C[6])(N[6]C[6]C)(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[6]N[6]O)2	N[6](C[6]C[3,6]O)(C[6]N[6]O)(CH3)	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>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[6]N[6]O)2{2|C<4>,3|C<3>}	N[6](C[6]C[3,6]O)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	116.2430	0.035	2	116.2262	0.172	4	116.2262	0.172	4	116.5414	0.625	5	116.0779	2.234	19	116.2893	2.226	25
762	486	856	6:SP2_SP2_SP3	C[6]	C[3,6]	N[6]	4:3:1:	4:4:3:3:	3:3:4:	C[3,6]-4:N[6]-3:O-1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[3,6]C[3]2C[6])(N[6]C[6a]C[6])(O)	C[3,6](C[3]C[3]HH)2(C[6]C[6]C)(C[6]N[6]O)	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	C[3,6](C[3]C[3]HH)2(C[6]C[6]C)(C[6]N[6]O){1|C<2>,1|C<3>,1|C<4>}	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>}	117.8020	0.000	1	117.8020	0.000	1	117.8020	0.000	1	116.5414	0.625	5	116.0779	2.234	19	116.2893	2.226	25
762	486	856	6:SP2_SP2_SP3	C[6]	C[3,6]	N[6]	4:3:1:	4:4:3:3:	3:4:1:	C[3,6]-4:N[6]-3:O-1:	C[3,6]-4:C[3]-4:C[6]-3:N-3:	C[6]-3:C[6]-4:H-1:	C[6](C[3,6]C[3,6]C[3]N)(N[6]C[6]H)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]N[6]O)(NOO)	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(H)	C[6](C[3,6]C[3,6]C[3]N)(N[6]C[6]H)(O){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]N[6]O)(NOO){1|C<4>,3|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>}	116.0620	0.280	2	116.0620	0.078	2	116.0620	0.078	2	116.0620	0.078	2	116.0779	2.234	19	116.2893	2.226	25
762	486	856	6:SP2_SP2_SP3	C[6]	C[3,6]	N[6]	4:3:1:	4:4:3:3:	3:4:4:	C[3,6]-4:N[6]-3:O-1:	C[3]-4:C[3]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[3,6]C[3]2N[6])(N[6]C[6]C)(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]N[6]O)(N[6]C[6]C)	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CC[6a]HH)	C[6](C[3,6]C[3]2N[6])(N[6]C[6]C)(O){2|C<3>,2|C<4>,4|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]N[6]O)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>}	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>}	113.4410	0.000	1	113.4410	0.000	1	113.4410	0.000	1	113.4410	0.000	1	116.0779	2.234	19	116.2893	2.226	25
762	486	856	6:SP2_SP2_SP3	C[6]	C[3,6]	N[6]	4:3:1:	4:4:3:4:	3:4:4:	C[3,6]-4:N[6]-3:O-1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[6]-3:C[6]-4:S-4:	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]N[6]O)(CH3)	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(SC[6a]OO)	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>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]N[6]O)(CH3){1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<4>}	117.8030	0.000	1	117.8030	0.000	1	117.8030	0.000	1	117.8030	0.000	1	116.0779	2.234	19	116.2893	2.226	25
762	486	856	6:SP2_SP3_SP3	C[6]	C[3,6]	N[6]	4:3:3:	4:4:3:1:	3:3:4:	C[3,6]-4:N[6]-3:C-3:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6,6a]S)(CHH)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(SC[6a]OO)	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6,6a]S)(CHH){2|H<1>,3|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]N[6]C)(H){1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	115.6280	0.000	1	115.6280	0.000	1	115.6280	0.000	1	115.6280	0.000	1	115.6280	0.000	1	115.6280	0.000	1
762	486	863	0:SP2_SP2_SP3	C[6,6]	C[3,6,6]	O	4:4:1:	3:4:4:2:	3:	C[5,4x6]-4:C[3,6,6]-4:O-1:	C[6,6]-3:C[3x6]-4:C[3]-4:O[3]-2:	C[6,6]-3:	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[3,6,6]C[3x6]C[3]O[3])(O)	C[3,6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(C[3]O[3]HH)(O[3]C[3])	O(C[6,6]C[3,6,6]C[5,4x6])	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[3,6,6]C[3x6]C[3]O[3])(O){1|C<3>,4|C<4>,6|H<1>}	C[3,6,6](C[6,6]C[5,4x6]O)(C[3x6]C[6,6]2H)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[3,6,6]C[5,4x6])	124.2335	0.060	2	124.2335	0.004	2	124.2335	0.004	2	124.2335	0.004	2	123.2958	1.597	15	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6,6]	C[3,6,6]	O	4:4:1:	4:3:4:2:	3:	C[3,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[6,6]-3:	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[3x6]C[6,6]C)(O)	C[3,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	O(C[6,6]C[3,6,6]C[3x6])	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[3x6]C[6,6]C)(O){1|C<4>,2|C<3>,5|H<1>}	C[3,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|H<1>,3|C<4>}	O(C[6,6]C[3,6,6]C[3x6])	122.6100	0.713	2	122.7770	0.338	3	123.8712	1.625	6	123.6949	1.200	9	123.2958	1.597	15	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6,6]	C[3,6,6]	O	4:4:1:	4:3:4:2:	3:	C[3,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[6,6]-3:	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[3x6]C[6,6]C)(O)	C[3,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	O(C[6,6]C[3,6,6]C[3x6])	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[3x6]C[6,6]C)(O){2|C<3>,2|C<4>,4|H<1>}	C[3,6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|H<1>,3|C<4>}	O(C[6,6]C[3,6,6]C[3x6])	123.1110	0.000	1	122.7770	0.338	3	123.8712	1.625	6	123.6949	1.200	9	123.2958	1.597	15	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6,6]	C[3,6,6]	O	4:4:1:	4:3:4:2:	3:	C[3,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[6,6]-3:	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]C)(O)	C[3,6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	O(C[6,6]C[3,6,6]C[3x6])	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]C)(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[3,6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6,6]C[3,6,6]C[3x6])	124.8100	0.000	1	124.7565	0.006	2	123.8712	1.625	6	123.6949	1.200	9	123.2958	1.597	15	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6,6]	C[3,6,6]	O	4:4:1:	4:3:4:2:	3:	C[3,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[6,6]-3:	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]C)(O)	C[3,6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	O(C[6,6]C[3,6,6]C[3x6])	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]C)(O){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[3,6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(C[6,6]C[3,6,6]C[3x6])	124.7030	0.000	1	124.7565	0.006	2	123.8712	1.625	6	123.6949	1.200	9	123.2958	1.597	15	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6,6]	C[3,6,6]	O	4:4:1:	4:3:4:2:	3:	C[3,6,6]-4:C[3x6]-4:O-1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[6,6]-3:	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]H)(O)	C[3,6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3])	O(C[6,6]C[3,6,6]C[3x6])	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[3x6]C[6,6]O[6,6]H)(O){1|C<3>,1|N<3>,4|H<1>}	C[3,6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(C[3]O[3]HH)(O[3]C[3]){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	O(C[6,6]C[3,6,6]C[3x6])	125.3830	0.000	1	125.3830	0.000	1	123.8712	1.625	6	123.6949	1.200	9	123.2958	1.597	15	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6,6]	C[3,6,6]	O	4:4:1:	4:3:4:2:	3:	C[3,6,6]-4:C[4x6]-4:O-1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[6,6]-3:	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[4x6]C[3x6]C[6,6]C[6])(O)	C[3,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(C[3]O[3]HH)(O[3]C[3])	O(C[6,6]C[3,6,6]C[4x6])	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[4x6]C[3x6]C[6,6]C[6])(O){1|C<3>,3|C<4>,7|H<1>}	C[3,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[3,6,6]C[4x6])	122.5990	0.000	1	123.3423	0.458	3	123.3423	0.458	3	123.6949	1.200	9	123.2958	1.597	15	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6,6]	C[3,6,6]	O	4:4:1:	4:3:4:2:	3:	C[3,6,6]-4:C[4x6]-4:O-1:	C[3x6]-4:C[6,6]-3:C[3]-4:O[3]-2:	C[6,6]-3:	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[4x6]C[3x6]C[6,6]C[6])(O)	C[3,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(C[3]O[3]HH)(O[3]C[3])	O(C[6,6]C[3,6,6]C[4x6])	C[6,6](C[3,6,6]C[3x6]C[3]O[3])(C[4x6]C[3x6]C[6,6]C[6])(O){2|C<4>,3|C<3>,6|H<1>}	C[3,6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(C[3]O[3]HH)(O[3]C[3]){1|C<3>,2|C<4>,3|H<1>}	O(C[6,6]C[3,6,6]C[4x6])	123.7140	0.296	2	123.3423	0.458	3	123.3423	0.458	3	123.6949	1.200	9	123.2958	1.597	15	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6,6]	C[3,6,6]	O	4:4:1:	4:4:3:2:	3:	C[3,6,6]-4:C[6,6]-4:O-1:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6,6]-3:C-2:	C[6,6]-3:	C[6,6](C[3,6,6]C[3,5,6,6]2C)(C[6,6]C[5,6,6]HH)(O)	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])(C[3,5,6,6]C[3,5,6,6]C[5,6]2)(C[6,6]C[6,6]O)(CN)	O(C[6,6]C[3,6,6]C[6,6])	C[6,6](C[3,6,6]C[3,5,6,6]2C)(C[6,6]C[5,6,6]HH)(O){1|H<1>,2|C<3>,2|C<4>}	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])(C[3,5,6,6]C[3,5,6,6]C[5,6]2)(C[6,6]C[6,6]O)(CN){2|C<3>,2|C<4>,7|H<1>}	O(C[6,6]C[3,6,6]C[6,6])	121.2680	0.310	2	121.2680	0.096	2	121.2680	0.096	2	121.2680	0.096	2	123.2958	1.597	15	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6,6]	C[3,6,6]	O	4:4:1:	4:4:3:3:	3:	C[3,6,6]-4:C[6,6]-4:O-1:	C[3,6]-4:C[3,6]-4:C[6,6]-3:C[6a]-3:	C[6,6]-3:	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(O)	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6,6]C[6,6]O)(C[6a]C[6a]2)	O(C[6,6]C[3,6,6]C[6,6])	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(O){4|C<3>,4|H<1>}	C[3,6,6](C[3,6]C[3,6]C[6]H)2(C[6,6]C[6,6]O)(C[6a]C[6a]2){4|C<3>,5|H<1>}	O(C[6,6]C[3,6,6]C[6,6])	122.9430	0.000	1	122.9430	0.000	1	122.9430	0.000	1	122.9430	0.000	1	123.2958	1.597	15	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6,6]	C[3,6,6]	O	4:4:1:	4:4:3:4:	3:	C[3,6,6]-4:C[6,6]-4:O-1:	C[3,5,6]-4:C[3,5,6]-4:C[6,6]-3:C-4:	C[6,6]-3:	C[6,6](C[3,6,6]C[3,5,6]2C)(C[6,6]C[5,6,6]HO)(O)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6,6]C[6a])(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]O)(CH3)	O(C[6,6]C[3,6,6]C[6,6])	C[6,6](C[3,6,6]C[3,5,6]2C)(C[6,6]C[5,6,6]HO)(O){1|H<1>,2|C<3>,2|C<4>}	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6,6]C[6a])(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O(C[6,6]C[3,6,6]C[6,6])	122.2370	0.000	1	122.2370	0.000	1	122.2370	0.000	1	122.2370	0.000	1	123.2958	1.597	15	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,3x6]	O	4:3:1:	4:4:3:2:	3:	C[3,3x6]-4:C[6,6a]-3:O-1:	C[5,4x6]-4:C[3,6,6]-4:C[6]-3:O[3]-2:	C[6]-3:	C[6](C[3,3x6]C[3,6,6]C[5,4x6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,3x6](C[5,4x6]C[5,6,6]2O[6])(C[3,6,6]C[3x6]O[3]H)(C[6]C[6,6a]O)(O[3]C[3,6,6])	O(C[6]C[3,3x6]C[6,6a])	C[6](C[3,3x6]C[3,6,6]C[5,4x6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[3,3x6](C[5,4x6]C[5,6,6]2O[6])(C[3,6,6]C[3x6]O[3]H)(C[6]C[6,6a]O)(O[3]C[3,6,6]){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	O(C[6]C[3,3x6]C[6,6a])	120.3185	0.209	2	120.3185	0.044	2	120.3185	0.044	2	120.3185	0.044	2	120.3185	0.044	2	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,5,6,6]	O	4:2:1:	4:4:4:3:	3:	C[3,5,6,6]-4:O[6]-2:O-1:	C[3,3x6]-4:C[3,5,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[5,6])(O[6]C[6])(O)	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]O[6]O)	O(C[6]C[3,5,6,6]O[6])	C[6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[5,6])(O[6]C[6])(O){4|C<4>,5|H<1>}	C[3,5,6,6](C[3,3x6]C[3,5,6]C[6,6]2)(C[3,5,6]C[3,3x6]C[5,6]H)(C[5,6]C[5,6,6]HH)(C[6]O[6]O){4|C<4>,5|H<1>}	O(C[6]C[3,5,6,6]O[6])	122.8210	0.000	1	122.8210	0.000	1	122.8210	0.000	1	122.8210	0.000	1	122.3225	0.497	2	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,5,6,6]	O	4:3:1:	4:4:4:3:	3:	C[3,5,6,6]-4:C[6]-3:O-1:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[6]H)(O)	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]O)	O(C[6]C[3,5,6,6]C[6])	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]O){2|C<3>,7|H<1>}	O(C[6]C[3,5,6,6]C[6])	121.8240	0.000	1	121.8240	0.000	1	121.8240	0.000	1	121.8240	0.000	1	122.3225	0.497	2	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,5,6]	O	4:2:1:	4:4:4:3:	3:	C[3,5,6]-4:O[6]-2:O-1:	C[5,5,6]-4:C[3,5]-4:C[3]-4:C[6]-3:	C[6]-3:	C[6](C[3,5,6]C[5,5,6]C[3,5]C[3])(O[6]C[6])(O)	C[3,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(C[6]O[6]O)	O(C[6]C[3,5,6]O[6])	C[6](C[3,5,6]C[5,5,6]C[3,5]C[3])(O[6]C[6])(O){3|C<4>,6|H<1>}	C[3,5,6](C[5,5,6]C[3x5]C[5,6]H)(C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(C[6]O[6]O){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[3,5,6]O[6])	126.0630	0.000	1	126.0630	0.000	1	126.0630	0.000	1	126.0630	0.000	1	122.1171	4.338	12	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,5,6]	O	4:3:1:	4:3:3:2:	3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[3,5,6]-4:C[5]-3:C[6]-3:O[3]-2:	C[6]-3:	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,5,6](C[3,5,6]C[5,5,6]C[6]O[3])(C[5]C[5,5,6]O)(C[6]C[6,6a]O)(O[3]C[3,5,6])	O(C[6]C[3,5,6]C[6,6a])	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[3,5,6](C[3,5,6]C[5,5,6]C[6]O[3])(C[5]C[5,5,6]O)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	O(C[6]C[3,5,6]C[6,6a])	121.0760	0.000	1	121.0760	0.000	1	121.0760	0.000	1	121.0760	0.000	1	122.1171	4.338	12	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,5,6]	O	4:3:1:	4:4:3:2:	3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[3,5,6]-4:C[5,5,6]-4:C[6]-3:O[3]-2:	C[6]-3:	C[6](C[3,5,6]C[3,5,6]C[5,5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(O[3]C[3,5,6])	O(C[6]C[3,5,6]C[6,6a])	C[6](C[3,5,6]C[3,5,6]C[5,5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,2|H<1>,4|C<3>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,5,6]C[5,5,6]2H)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|H<1>,2|O<1>,3|C<3>,3|C<4>}	O(C[6]C[3,5,6]C[6,6a])	120.4190	0.000	1	120.4190	0.000	1	120.4190	0.000	1	121.1393	2.972	6	122.1171	4.338	12	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,5,6]	O	4:3:1:	4:4:3:2:	3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[6]-3:	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6,6a]O)(C[6]C[6,6a]O)(O[3]C[3,5,6])	O(C[6]C[3,5,6]C[6,6a])	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6,6a]O)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|O<1>,1|O<2>,7|C<3>}	O(C[6]C[3,5,6]C[6,6a])	120.0320	0.000	1	120.0320	0.000	1	121.6170	4.004	4	121.1393	2.972	6	122.1171	4.338	12	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,5,6]	O	4:3:1:	4:4:3:2:	3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[6]-3:	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	O(C[6]C[3,5,6]C[6,6a])	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<4>,5|C<3>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5,6]C[5,5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){2|O<1>,2|O<2>,5|C<3>}	O(C[6]C[3,5,6]C[6,6a])	121.3230	0.000	1	121.3230	0.000	1	121.6170	4.004	4	121.1393	2.972	6	122.1171	4.338	12	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,5,6]	O	4:3:1:	4:4:3:2:	3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[6]-3:	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,6]C[5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	O(C[6]C[3,5,6]C[6,6a])	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,3|C<4>,4|C<3>}	C[3,5,6](C[3,5,6]C[5]C[6]O[3])(C[5,6]C[5,6]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){2|O<1>,3|H<1>,4|C<3>}	O(C[6]C[3,5,6]C[6,6a])	120.6010	0.000	1	120.6010	0.000	1	121.6170	4.004	4	121.1393	2.972	6	122.1171	4.338	12	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,5,6]	O	4:3:1:	4:4:3:2:	3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[3,5,6]-4:C[5,6]-4:C[6]-3:O[3]-2:	C[6]-3:	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,5,6](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6])	O(C[6]C[3,5,6]C[6,6a])	C[6](C[3,5,6]C[3,5,6]C[5,6]O[3])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<4>,5|C<3>}	C[3,5,6](C[3,5,6]C[6,6a]C[5,6]O[3])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|O<1>,2|H<1>,5|C<3>}	O(C[6]C[3,5,6]C[6,6a])	124.5120	0.000	1	124.5120	0.000	1	121.6170	4.004	4	121.1393	2.972	6	122.1171	4.338	12	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,5,6]	O	4:3:1:	4:4:3:2:	3:	C[3,5,6]-4:C[6,6a]-3:O-1:	C[3,5,6]-4:C[5]-4:C[6]-3:O[3]-2:	C[6]-3:	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(O[3]C[3,5,6])	O(C[6]C[3,5,6]C[6,6a])	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|C<3>,3|H<1>}	C[3,5,6](C[3,5,6]C[5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(O[3]C[3,5,6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[3,5,6]C[6,6a])	119.9490	0.000	1	119.9490	0.000	1	119.9490	0.000	1	121.1393	2.972	6	122.1171	4.338	12	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,5,6]	O	4:3:1:	4:4:4:3:	3:	C[3,5,6]-4:C[6]-3:O-1:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-3:	C[6]-3:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(O)	C[3,5,6](C[3,5]C[3]C[5]C[6])(C[5,6]C[5]C[6]H)(C[3]C[3,5]HH)(C[6]C[6]O)	O(C[6]C[3,5,6]C[6])	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	C[3,5,6](C[3,5]C[3]C[5]C[6])(C[5,6]C[5]C[6]H)(C[3]C[3,5]HH)(C[6]C[6]O){1|O<1>,3|C<3>,5|H<1>}	O(C[6]C[3,5,6]C[6])	121.4830	0.000	1	121.4830	0.000	1	123.3790	7.190	2	123.3790	7.190	2	122.1171	4.338	12	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,5,6]	O	4:3:1:	4:4:4:3:	3:	C[3,5,6]-4:C[6]-3:O-1:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-3:	C[6]-3:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(O)	C[3,5,6](C[3,5]C[3]C[5]H)(C[5,6]C[6]O[5]H)(C[3]C[3,5]HH)(C[6]C[6]O)	O(C[6]C[3,5,6]C[6])	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(O){1|O<2>,3|C<4>,4|H<1>}	C[3,5,6](C[3,5]C[3]C[5]H)(C[5,6]C[6]O[5]H)(C[3]C[3,5]HH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[3,5,6]C[6])	125.2750	0.000	1	125.2750	0.000	1	123.3790	7.190	2	123.3790	7.190	2	122.1171	4.338	12	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,5,6]	O	4:4:1:	4:4:4:3:	3:	C[3,5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-3:	C[6]-3:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[5,6,6]HI)(O)	C[3,5,6](C[5,6]C[5,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]O)	O(C[6]C[3,5,6]C[6])	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[5,6,6]HI)(O){1|C<3>,3|H<1>,5|C<4>}	C[3,5,6](C[5,6]C[5,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]O){1|I<1>,2|C<4>,6|H<1>}	O(C[6]C[3,5,6]C[6])	122.3520	0.000	1	122.3520	0.000	1	122.3360	0.001	2	122.3360	0.001	2	122.1171	4.338	12	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,5,6]	O	4:4:1:	4:4:4:3:	3:	C[3,5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-3:	C[6]-3:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(O)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]O)	O(C[6]C[3,5,6]C[6])	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(O){4|H<1>,5|C<4>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]O){2|C<4>,7|H<1>}	O(C[6]C[3,5,6]C[6])	122.3200	0.000	1	122.3200	0.000	1	122.3360	0.001	2	122.3360	0.001	2	122.1171	4.338	12	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6,6]	O	4:2:1:	4:3:4:3:	3:	C[3,6,6]-4:O[6]-2:O-1:	C[3,6]-4:N[3,6]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[3,6,6]C[3,6]N[3,6]C[6])(O[6]C[6])(O)	C[3,6,6](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6]C[6]HH)(C[6]O[6]O)	O(C[6]C[3,6,6]O[6])	C[6](C[3,6,6]C[3,6]N[3,6]C[6])(O[6]C[6])(O){3|C<4>,5|H<1>}	C[3,6,6](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(C[6]C[6]HH)(C[6]O[6]O){1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[3,6,6]O[6])	122.1450	0.000	1	122.1450	0.000	1	122.1450	0.000	1	122.1450	0.000	1	120.3717	3.013	13	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6,6]	O	4:3:1:	4:2:3:3:	3:	C[3,6,6]-4:C[6]-3:O-1:	C[3,6,6]-4:O[3]-2:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]C)(O)	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)2	O(C[6]C[3,6,6]C[6])	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]C)(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[3,6,6]C[6])	117.0380	0.000	1	117.0380	0.000	1	117.0380	0.000	1	117.0380	0.000	1	120.3717	3.013	13	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6,6]	O	4:3:1:	4:2:3:4:	3:	C[3,6,6]-4:N[6,6]-3:O-1:	C[3,6,6]-4:O[3]-2:C[6]-3: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)	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]N[6,6]O)(C[6]C[6]HH)	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>}	C[3,6,6](C[3,6,6]C[6]2O[3])(O[3]C[3,6,6])(C[6]N[6,6]O)(C[6]C[6]HH){4|H<1>,5|C<4>}	O(C[6]C[3,6,6]N[6,6])	118.3440	0.000	1	118.3440	0.000	1	118.3440	0.000	1	118.3440	0.000	1	120.3717	3.013	13	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6,6]	O	4:3:1:	4:3:2:3:	3:	C[3,6,6]-4:N[6]-3:O-1:	C[3,6]-4:N[6,6]-3:O[3]-2:C[6]-3:	C[6]-3:	C[6](C[3,6,6]C[3,6]N[6,6]O[3])(N[6]C[6]C)(O)	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O)	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>}	C[3,6,6](C[3,6]C[6a]C[6]O[3])(N[6,6]C[6,6a]C[6])(O[3]C[3,6])(C[6]N[6]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	O(C[6]C[3,6,6]N[6])	119.5997	0.361	3	119.5997	0.130	3	119.5997	0.130	3	119.5997	0.130	3	120.3717	3.013	13	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6,6]	O	4:3:1:	4:4:2:3:	3:	C[3,6,6]-4:C[6]-3:O-1:	C[3,6,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[6]-3:	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[6]O)(O)	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]O)	O(C[6]C[3,6,6]C[6])	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[6]O)(O){2|C<3>,4|C<4>}	C[3,6,6](C[3,6,6]C[6]2O[3])(C[6,6]C[6,6]C[6]C)(O[3]C[3,6,6])(C[6]C[6]O){1|C<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	O(C[6]C[3,6,6]C[6])	123.1980	0.000	1	123.1980	0.000	1	123.1980	0.000	1	123.1980	0.000	1	120.3717	3.013	13	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6,6]	O	4:3:1:	4:4:4:3:	3:	C[3,6,6]-4:C[6]-3:O-1:	C[3,6,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6,6]H)(O)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[3,6,6]C[6])	C[6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6,6]H)(O){4|C<4>,4|H<1>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[3,6,6]C[6])	120.9250	0.000	1	120.9250	0.000	1	120.9250	0.000	1	120.9250	0.000	1	120.3717	3.013	13	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6,6]	O	4:4:1:	4:2:3:3:	3:	C[3,6,6]-4:C[6]-4:O-1:	C[3,6,6]-4:O[3]-2:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(O)	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)2	O(C[6]C[3,6,6]C[6])	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[3,6,6]C[6])	119.4100	0.000	1	119.4100	0.000	1	119.4100	0.000	1	119.4100	0.000	1	120.3717	3.013	13	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6,6]	O	4:4:1:	4:4:2:3:	3:	C[3,6,6]-4:C[6]-4:O-1:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[6]-3:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CH)(O)	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]O)	O(C[6]C[3,6,6]C[6])	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CH)(O){1|C<3>,2|H<1>,4|C<4>}	C[3,6,6](C[3,6]C[6]O[3]C)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	O(C[6]C[3,6,6]C[6])	122.2880	0.000	1	122.2880	0.000	1	122.2880	0.000	1	122.2880	0.000	1	120.3717	3.013	13	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6,6]	O	4:4:1:	4:4:3:2:	3:	C[3,6,6]-4:C[3,6]-4:O-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:O[3]-2:	C[6]-3:	C[6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(O)	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])	O(C[6]C[3,6,6]C[3,6])	C[6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(O){1|O<2>,2|H<1>,3|C<4>}	C[3,6,6](C[3,6,6]C[3,6]C[6,6]O[3])(C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6]){1|O<2>,3|H<1>,5|C<4>}	O(C[6]C[3,6,6]C[3,6])	119.7400	0.000	1	119.7400	0.000	1	119.7400	0.000	1	119.7400	0.000	1	120.3717	3.013	13	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6,6]	O	4:4:1:	4:4:4:3:	3:	C[3,6,6]-4:C[6]-4:O-1:	C[3,3x6]-4:C[6,6]-4:C[3]-4:C[6]-3:	C[6]-3:	C[6](C[3,6,6]C[3,3x6]C[6,6]C[3])(C[6]C[5,6]HH)(O)	C[3,6,6](C[3,3x6]C[3x6]C[4x6]C[3])(C[6,6]C[5,6]C[6]H)(C[3]C[3,3x6]BrH)(C[6]C[6]O)	O(C[6]C[3,6,6]C[6])	C[6](C[3,6,6]C[3,3x6]C[6,6]C[3])(C[6]C[5,6]HH)(O){1|Br<1>,2|H<1>,6|C<4>}	C[3,6,6](C[3,3x6]C[3x6]C[4x6]C[3])(C[6,6]C[5,6]C[6]H)(C[3]C[3,3x6]BrH)(C[6]C[6]O){2|O<2>,5|C<4>,6|H<1>}	O(C[6]C[3,6,6]C[6])	121.3560	0.000	1	121.3560	0.000	1	121.3560	0.000	1	121.4725	0.027	2	120.3717	3.013	13	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6,6]	O	4:4:1:	4:4:4:3:	3:	C[3,6,6]-4:C[6]-4:O-1:	C[3,6,6]-4:C[6,6]-4:C[3]-4:C[6]-3:	C[6]-3:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HO)(O)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]O)	O(C[6]C[3,6,6]C[6])	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HO)(O){4|H<1>,5|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[6,6]C[6,6]C[6]H)(C[3]C[3,6,6]HH)(C[6]C[6]O){1|O<2>,4|H<1>,8|C<4>}	O(C[6]C[3,6,6]C[6])	121.5890	0.000	1	121.5890	0.000	1	121.5890	0.000	1	121.4725	0.027	2	120.3717	3.013	13	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	3:4:1:	3:4:4:2:	3:	C[6,6a]-3:C[3,6]-4:O-1:	C[6]-3:C[3]-4:C[6]-4:O[3]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]O[3])(O)	C[3,6](C[6]C[6,6a]O)(C[3]O[3]CH)(C[6]C[6]HH)(O[3]C[3])	O(C[6]C[6,6a]C[3,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]O[3])(O){2|C<3>,2|C<4>,4|H<1>}	C[3,6](C[6]C[6,6a]O)(C[3]O[3]CH)(C[6]C[6]HH)(O[3]C[3]){2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[3,6])	120.9010	0.000	1	120.9010	0.000	1	120.9010	0.000	1	120.9010	0.000	1	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	3:4:1:	3:4:4:4:	3:	C[6,6a]-3:C[3,6]-4:O-1:	C[6]-3:C[3]-4:C[3]-4:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O)	C[3,6](C[6]C[6,6a]O)(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HO)	O(C[6]C[6,6a]C[3,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[3,6](C[6]C[6,6a]O)(C[3]C[3]CH)(C[3]C[3]HH)(C[6]C[6]HO){1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[3,6])	123.2130	0.000	1	123.2130	0.000	1	123.2130	0.000	1	123.2130	0.000	1	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	3:4:1:	4:3:2:1:	3:	C[5a,6]-3:C[3,6]-4:O-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6]-3:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[3,6]C[3,6]O[3]H)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5a,6]O)(O[3]C[3,6])(H)	O(C[6]C[5a,6]C[3,6])	C[6](C[5a,6]C[5a,6,6]C[5a])(C[3,6]C[3,6]O[3]H)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[5a,6]O)(O[3]C[3,6])(H){1|C<4>,3|C<3>}	O(C[6]C[5a,6]C[3,6])	120.3800	0.000	1	120.3800	0.000	1	120.3800	0.000	1	120.3800	0.000	1	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	3:4:1:	4:3:2:2:	3:	C[6,6a]-3:C[3,6]-4:O-1:	C[3,6]-4:C[6]-3:O[3]-2:O-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]O)(O)	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[6]C[6,6a]O)(O[3]C[3,6])(OC)	O(C[6]C[6,6a]C[3,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]O)(O){1|H<1>,2|C<3>,2|C<4>}	C[3,6](C[3,6]C[3,6]C[6]O[3])(C[6]C[6,6a]O)(O[3]C[3,6])(OC){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	O(C[6]C[6,6a]C[3,6])	120.6188	0.409	8	120.6188	0.167	8	120.6188	0.167	8	120.6188	0.167	8	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	3:4:1:	4:3:4:2:	3:	C[6,6a]-3:C[3,6]-4:O-1:	C[3]-4:C[6]-3:C[6]-4:O[3]-2:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]O[3])(O)	C[3,6](C[3]C[6a]2O[3])(C[6]C[6,6a]O)(C[6]O[6]HH)(O[3]C[3])	O(C[6]C[6,6a]C[3,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]C[6]O[3])(O){1|O<2>,3|H<1>,4|C<3>}	C[3,6](C[3]C[6a]2O[3])(C[6]C[6,6a]O)(C[6]O[6]HH)(O[3]C[3]){1|N<2>,5|C<3>}	O(C[6]C[6,6a]C[3,6])	122.3090	0.000	1	122.3090	0.000	1	122.3090	0.000	1	122.3090	0.000	1	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	3:4:1:	4:3:4:4:	3:	C[6,6a]-3:C[3,6]-4:O-1:	C[3]-4:C[6]-3:C[3]-4:C[6]-4:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O)	C[3,6](C[3]C[6a]C[3]H)(C[6]C[6,6a]O)(C[3]C[3]Br2)(C[6]C[6]HH)	O(C[6]C[6,6a]C[3,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3]2C[6])(O){2|Br<1>,1|C<4>,3|C<3>,4|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[6]C[6,6a]O)(C[3]C[3]Br2)(C[6]C[6]HH){2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[3,6])	121.4640	0.000	1	121.4640	0.000	1	121.4640	0.000	1	121.4640	0.000	1	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	3:4:1:	4:4:3:1:	3:	C[6,6a]-3:C[3,6]-4:O-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O)	C[3,6](C[3,6]C[3]C[6]Br)(C[3]C[3,6]C[6a]2)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]C[3,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O){1|Br<1>,1|H<1>,5|C<3>}	C[3,6](C[3,6]C[3]C[6]Br)(C[3]C[3,6]C[6a]2)(C[6]C[6,6a]O)(H){1|O<1>,6|C<3>}	O(C[6]C[6,6a]C[3,6])	119.6913	0.408	3	119.6913	0.166	3	120.0285	0.566	4	120.5970	0.912	7	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	3:4:1:	4:4:3:1:	3:	C[6,6a]-3:C[3,6]-4:O-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O)	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]C[6,6a]O)(H)	O(C[6]C[6,6a]C[3,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(O){2|H<1>,5|C<3>}	C[3,6](C[3,6]C[6a]C[3]C[6])(C[3]C[3,6]C[6a]H)(C[6]C[6,6a]O)(H){1|O<1>,6|C<3>}	O(C[6]C[6,6a]C[3,6])	121.0400	0.000	1	121.0400	0.000	1	120.0285	0.566	4	120.5970	0.912	7	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	3:4:1:	4:4:3:1:	3:	C[6,6a]-3:C[3,6]-4:O-1:	C[3]-4:C[3,6]-4:C[6]-3:Br-1:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]Br)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(Br)	O(C[6]C[6,6a]C[3,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]Br)(O){2|H<1>,5|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(Br){1|O<1>,6|C<3>}	O(C[6]C[6,6a]C[3,6])	121.3550	0.615	3	121.3550	0.378	3	121.3550	0.378	3	120.5970	0.912	7	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:2:1:	4:2:3:1:	3:	C[3,6]-4:O[6]-2:O-1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	O(C[6]C[3,6]O[6])	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,5|C<4>}	O(C[6]C[3,6]O[6])	122.1583	0.433	3	122.2363	0.312	9	122.1696	0.267	13	122.1696	0.267	13	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:2:1:	4:2:3:1:	3:	C[3,6]-4:O[6]-2:O-1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	O(C[6]C[3,6]O[6])	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){6|C<4>}	O(C[6]C[3,6]O[6])	122.2753	0.647	6	122.2363	0.312	9	122.1696	0.267	13	122.1696	0.267	13	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:2:1:	4:2:3:1:	3:	C[3,6]-4:O[6]-2:O-1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H)	O(C[6]C[3,6]O[6])	C[6](C[3,6]C[3,6,6]O[3]H)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]O[6]O)(H){1|C<3>,4|C<4>}	O(C[6]C[3,6]O[6])	122.0195	0.439	4	122.0195	0.193	4	122.1696	0.267	13	122.1696	0.267	13	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:2:1:	4:4:3:1:	3:	C[3,6]-4:O[6]-2:O-1:	C[3,3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,3,6]C[3]H)(O[6]C[6])(O)	C[3,6](C[3,3,6]C[3,6]C[3]2)(C[3]C[3,3,6]HH)(C[6]O[6]O)(H)	O(C[6]C[3,6]O[6])	C[6](C[3,6]C[3,3,6]C[3]H)(O[6]C[6])(O){2|C<4>,4|H<1>}	C[3,6](C[3,3,6]C[3,6]C[3]2)(C[3]C[3,3,6]HH)(C[6]O[6]O)(H){1|C<4>,3|H<1>}	O(C[6]C[3,6]O[6])	123.8495	0.381	2	123.8495	0.145	2	123.8495	0.145	2	123.4242	0.744	6	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:2:1:	4:4:3:1:	3:	C[3,6]-4:O[6]-2:O-1:	C[3,5,6,6]-4:C[3,5,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,5,6,6]C[3,5,6]H)(O[6]C[6,6])(O)	C[3,6](C[3,5,6,6]C[3,5,6]C[6,6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]O[6]O)(H)	O(C[6]C[3,6]O[6])	C[6](C[3,6]C[3,5,6,6]C[3,5,6]H)(O[6]C[6,6])(O){1|H<1>,5|C<4>}	C[3,6](C[3,5,6,6]C[3,5,6]C[6,6]C[5])(C[3,5,6]C[3,5,6,6]C[5]C[6])(C[6]O[6]O)(H){1|O<2>,4|H<1>,6|C<4>}	O(C[6]C[3,6]O[6])	122.4680	0.000	1	122.4680	0.000	1	122.4680	0.000	1	123.4242	0.744	6	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:2:1:	4:4:3:1:	3:	C[3,6]-4:O[6]-2:O-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6,6]C[3,6]H)(O[6]C[6])(O)	C[3,6](C[3,6,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]O[6]O)(H)	O(C[6]C[3,6]O[6])	C[6](C[3,6]C[3,6,6]C[3,6]H)(O[6]C[6])(O){2|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[5,6,6]C[3,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]O[6]O)(H){1|H<1>,1|O<2>,4|C<4>}	O(C[6]C[3,6]O[6])	124.1540	0.000	1	124.1540	0.000	1	124.1540	0.000	1	123.4242	0.744	6	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:2:1:	4:4:3:1:	3:	C[3,6]-4:O[6]-2:O-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(O)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]B[5]H)(C[6]O[6]O)(H)	O(C[6]C[3,6]O[6])	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(O){1|B<3>,2|C<3>,2|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]B[5]H)(C[6]O[6]O)(H){2|C<3>,2|O<2>}	O(C[6]C[3,6]O[6])	123.9990	0.000	1	123.9990	0.000	1	123.9990	0.000	1	123.4242	0.744	6	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:2:1:	4:4:3:1:	3:	C[3,6]-4:O[6]-2:O-1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(O)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]O[6]O)(H)	O(C[6]C[3,6]O[6])	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(O){1|C<3>,1|C<4>,4|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[3,6]O[6])	122.2250	0.000	1	122.2250	0.000	1	122.2250	0.000	1	123.4242	0.744	6	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:2:1:	4:4:3:2:	3:	C[3,6]-4:O[6]-2:O-1:	C[3]-4:C[3]-4:C[6]-3:N[6]-2:	C[6]-3:	C[6](C[3,6]C[3]2N[6])(O[6]C[6])(O)	C[3,6](C[3]C[3]CH)(C[3]C[3]HH)(C[6]O[6]O)(N[6]C[6])	O(C[6]C[3,6]O[6])	C[6](C[3,6]C[3]2N[6])(O[6]C[6])(O){1|C<3>,3|C<4>,3|H<1>}	C[3,6](C[3]C[3]CH)(C[3]C[3]HH)(C[6]O[6]O)(N[6]C[6]){1|C<4>,1|O<2>}	O(C[6]C[3,6]O[6])	123.8490	0.058	2	123.8490	0.003	2	123.8490	0.003	2	123.8490	0.003	2	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:2:1:	4:4:3:3:	3:	C[3,6]-4:O[6]-2:O-1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(O[6]C[6])(O)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]O)	O(C[6]C[3,6]O[6])	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(O[6]C[6])(O){1|H<1>,2|C<4>,4|C<3>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]O){1|C<4>,3|C<3>,7|H<1>}	O(C[6]C[3,6]O[6])	123.7050	0.000	1	123.7050	0.000	1	123.0933	0.362	3	123.6886	1.267	9	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:2:1:	4:4:3:3:	3:	C[3,6]-4:O[6]-2:O-1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(O[6]C[6])(O)	C[3,6](C[3,5,6]C[5,6a]C[3,5]C[6])(C[3,5]C[3,5,6]N[5]H)(C[6a]C[6a]2)(C[6]O[6]O)	O(C[6]C[3,6]O[6])	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(O[6]C[6])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[3,6](C[3,5,6]C[5,6a]C[3,5]C[6])(C[3,5]C[3,5,6]N[5]H)(C[6a]C[6a]2)(C[6]O[6]O){1|C<4>,4|H<1>,5|C<3>}	O(C[6]C[3,6]O[6])	122.7875	0.404	2	122.7875	0.163	2	123.0933	0.362	3	123.6886	1.267	9	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:2:1:	4:4:3:3:	3:	C[3,6]-4:O[6]-2:O-1:	C[3,6]-4:C[3]-4:C[6]-3:S-3:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]S)(O[6]C[6])(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]O[6]O)(SC[6a]O)	O(C[6]C[3,6]O[6])	C[6](C[3,6]C[3,6]C[3]S)(O[6]C[6])(O){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]O[6]O)(SC[6a]O){1|C<4>,2|H<1>}	O(C[6]C[3,6]O[6])	122.5020	0.000	1	122.5020	0.000	1	122.4015	0.020	2	123.6886	1.267	9	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:2:1:	4:4:3:3:	3:	C[3,6]-4:O[6]-2:O-1:	C[3,6]-4:C[3]-4:C[6]-3:S-3:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]S)(O[6]C[6])(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]O[6]O)(SC[6a]O)	O(C[6]C[3,6]O[6])	C[6](C[3,6]C[3,6]C[3]S)(O[6]C[6])(O){1|C<4>,5|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]O[6]O)(SC[6a]O){1|C<4>,2|H<1>}	O(C[6]C[3,6]O[6])	122.3010	0.000	1	122.3010	0.000	1	122.4015	0.020	2	123.6886	1.267	9	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:2:1:	4:4:3:3:	3:	C[3,6]-4:O[6]-2:O-1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]O[6]O)2	O(C[6]C[3,6]O[6])	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]O[6]O)2{1|C<4>,2|C<3>}	O(C[6]C[3,6]O[6])	124.8170	0.412	2	124.7785	0.087	4	124.7785	0.087	4	123.6886	1.267	9	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:2:1:	4:4:3:3:	3:	C[3,6]-4:O[6]-2:O-1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]O[6]O)2	O(C[6]C[3,6]O[6])	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]O[6]O)2{1|C<4>,2|C<3>}	O(C[6]C[3,6]O[6])	124.7400	0.293	2	124.7785	0.087	4	124.7785	0.087	4	123.6886	1.267	9	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:2:1:	4:4:4:3:	3:	C[3,6]-4:O[6]-2:O-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]O[6]O)	O(C[6]C[3,6]O[6])	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O){1|C<3>,2|C<4>,6|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[3,6]O[6])	123.6610	0.000	1	123.6610	0.000	1	123.2255	0.379	2	123.2255	0.379	2	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:2:1:	4:4:4:3:	3:	C[3,6]-4:O[6]-2:O-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]HH)(C[6]O[6]O)	O(C[6]C[3,6]O[6])	C[6](C[3,6]C[3]2C[6])(O[6]C[6])(O){1|C<3>,1|C<4>,7|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[3,6]O[6])	122.7900	0.000	1	122.7900	0.000	1	123.2255	0.379	2	123.2255	0.379	2	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	3:3:3:2:	3:	C[3,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[3]-3:C[6]-3:O[3]-2:	C[6]-3:	C[6](C[3,6]C[6,6a]C[3]O[3])(N[6]C[6a]C[6])(O)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]O[3])(C[6]N[6]O)(O[3]C[3])	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>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]O[3])(C[6]N[6]O)(O[3]C[3]){1|H<1>,6|C<3>}	O(C[6]C[3,6]N[6])	123.4850	0.000	1	123.4850	0.000	1	123.4850	0.000	1	123.4850	0.000	1	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	3:3:4:4:	3:	C[3,6]-4:N[6,6]-3:O-1:	C[6,6a]-3:C[6]-3:C[3]-4:C[3]-4:	C[6]-3:	C[6](C[3,6]C[6,6a]C[3]2)(N[6,6]C[6,6]C[6])(O)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[3]C[3]HH)2	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>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(C[3]C[3]HH)2{1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[3,6]N[6,6])	121.3900	0.000	1	121.3900	0.000	1	121.3900	0.000	1	121.3900	0.000	1	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	3:4:3:2:	3:	C[3,6]-4:C[6]-3:O-1:	C[6]-3:C[3]-4:C[6]-3:O[3]-2:	C[6]-3:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[5,6]H)(O)	C[3,6](C[6]C[5,6]H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3])	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[5,6]H)(O){1|C<3>,1|N<3>,3|H<1>}	C[3,6](C[6]C[5,6]H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3]){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[3,6]C[6])	119.6380	0.000	1	119.6380	0.000	1	119.6380	0.000	1	119.6380	0.000	1	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:2:3:1:	3:	C[3,6]-4:C[6,6]-3:O-1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6])(O)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6,6]O)(H)	O(C[6]C[3,6]C[6,6])	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6])(O){1|O<1>,4|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6,6]O)(H){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[3,6]C[6,6])	119.4860	0.000	1	119.4860	0.000	1	119.4860	0.000	1	119.9294	0.848	11	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:2:3:1:	3:	C[3,6]-4:C[6]-3:O-1:	C[3,5,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]C)(O)	C[3,6](C[3,5,6]C[4,5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]O)(H)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	C[3,6](C[3,5,6]C[4,5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[3,6]C[6])	120.8200	0.028	3	120.8200	0.001	3	120.8200	0.001	3	119.9294	0.848	11	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:2:3:1:	3:	C[3,6]-4:C[6]-3:O-1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]C)(O)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[3,6]C[6])	120.0510	0.000	1	120.0510	0.000	1	120.0510	0.000	1	119.9294	0.848	11	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:2:3:1:	3:	C[3,6]-4:C[6]-3:O-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]H)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[3,6]C[6])	120.8190	0.000	2	120.8190	0.000	2	120.1730	1.252	3	119.9294	0.848	11	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:2:3:1:	3:	C[3,6]-4:C[6]-3:O-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(O)	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(H)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(O){1|O<2>,2|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>}	O(C[6]C[3,6]C[6])	118.8810	0.000	1	118.8810	0.000	1	120.1730	1.252	3	119.9294	0.848	11	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:2:3:1:	3:	C[3,6]-4:N[6]-3:O-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[5,6]C)(O)	C[3,6](C[3,6]C[5,6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H)	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>}	C[3,6](C[3,6]C[5,6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[3,6]N[6])	118.9340	0.000	1	118.9340	0.000	1	118.9023	0.019	3	119.9294	0.848	11	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:2:3:1:	3:	C[3,6]-4:N[6]-3:O-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(O)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H)	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>}	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[3,6]N[6])	118.8865	0.189	2	118.8865	0.036	2	118.9023	0.019	3	119.9294	0.848	11	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:2:3:2:	3:	C[3,6]-4:C[6]-3:O-1:	C[3,6]-4:O[3]-2:C[6]-3:O-2:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]O)(C[6]C[6]H)(O)	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(OC)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]O[3]O)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>}	C[3,6](C[3,6]C[6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(OC){1|C<3>,1|H<1>,1|O<1>}	O(C[6]C[3,6]C[6])	120.7885	0.404	2	120.7885	0.163	2	120.7885	0.163	2	120.7885	0.163	2	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:2:3:3:	3:	C[3,6]-4:C[6]-3:O-1:	C[3,6]-4:O[3]-2:C[6]-3:C-3:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[5,6]H)(O)	C[3,6](C[3,6]C[5,6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(COO)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[5,6]H)(O){1|C<3>,1|C<4>,1|P<4>}	C[3,6](C[3,6]C[5,6]O[3]C)(O[3]C[3,6])(C[6]C[6]O)(COO){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[3,6]C[6])	120.8610	0.000	1	120.8610	0.000	1	120.8610	0.000	1	120.8610	0.000	1	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:2:3:4:	3:	C[3,6]-4:C[6]-3:O-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6,6]C)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHO)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6,6]C)(O){1|C<4>,1|H<1>,1|O<2>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHO){1|C<3>,1|C<4>,2|O<2>}	O(C[6]C[3,6]C[6])	118.0230	0.000	1	118.0230	0.000	1	120.3312	2.068	8	120.1988	1.967	9	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:2:3:4:	3:	C[3,6]-4:C[6]-3:O-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]Br)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHH)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]Br)(O){1|H<1>,2|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHH){1|Br<1>,1|C<3>,2|O<2>}	O(C[6]C[3,6]C[6])	121.5460	0.000	1	121.5460	0.000	1	120.3312	2.068	8	120.1988	1.967	9	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:2:3:4:	3:	C[3,6]-4:C[6]-3:O-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(O){1|Br<1>,1|C<4>,1|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO){1|C<3>,1|C<4>,2|O<2>}	O(C[6]C[3,6]C[6])	119.1110	0.000	2	119.8810	0.791	4	120.3312	2.068	8	120.1988	1.967	9	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:2:3:4:	3:	C[3,6]-4:C[6]-3:O-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(O){1|Br<1>,1|C<4>,1|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO){2|C<3>,2|O<2>}	O(C[6]C[3,6]C[6])	120.6510	0.000	2	119.8810	0.791	4	120.3312	2.068	8	120.1988	1.967	9	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:2:3:4:	3:	C[3,6]-4:C[6]-3:O-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]N)(O)	C[3,6](C[3,6]C[6]O[3]O)(O[3]C[3,6])(C[6]C[6]O)(CCHH)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	C[3,6](C[3,6]C[6]O[3]O)(O[3]C[3,6])(C[6]C[6]O)(CCHH){1|C<3>,1|N<3>,1|O<1>}	O(C[6]C[3,6]C[6])	121.7785	0.548	2	121.7785	0.300	2	120.3312	2.068	8	120.1988	1.967	9	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:2:3:4:	3:	C[3,6]-4:N[6]-3:O-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]C)(O)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(CHHO)	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>}	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(CHHO){2|C<4>,2|H<1>}	O(C[6]C[3,6]N[6])	119.1390	0.000	1	119.1390	0.000	1	119.1390	0.000	1	120.1988	1.967	9	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:3:2:1:	3:	C[3,6]-4:C[6,6]-3:O-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	O(C[6]C[3,6]C[6,6])	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O){2|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[3,6]C[6,6])	120.5075	1.269	2	120.1063	0.779	6	120.1063	0.779	6	120.1469	0.660	7	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:3:2:1:	3:	C[3,6]-4:C[6,6]-3:O-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	O(C[6]C[3,6]C[6,6])	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O){3|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[3,6]C[6,6])	119.9057	0.774	4	120.1063	0.779	6	120.1063	0.779	6	120.1469	0.660	7	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:3:2:1:	3:	C[3,6]-4:N[6,6]-3:O-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]H)(N[6,6]C[6,6]C[6])(O)	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6,6]O)(O[3]C[3,6])(H)	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>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6,6]O)(O[3]C[3,6])(H){2|C<4>,2|H<1>}	O(C[6]C[3,6]N[6,6])	120.3900	0.000	1	120.3900	0.000	1	120.3900	0.000	1	120.1469	0.660	7	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:3:2:2:	3:	C[3,6]-4:N[6]-3:O-1:	C[3]-4:C[6]-3:O[3]-2:O[6]-2:	C[6]-3:	C[6](C[3,6]C[3]O[3]O[6])(N[6]C[6]C)(O)	C[3,6](C[3]O[3]CH)(C[6]N[6]O)(O[3]C[3])(O[6]C[6])	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>}	C[3,6](C[3]O[3]CH)(C[6]N[6]O)(O[3]C[3])(O[6]C[6]){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[3,6]N[6])	119.4540	0.000	1	119.4540	0.000	1	119.4540	0.000	1	119.4540	0.000	1	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:3:3:2:	3:	C[3,6]-4:N[6]-3:O-1:	C[3]-4:C[6]-3:N[6]-3:O[3]-2:	C[6]-3:	C[6](C[3,6]C[3]N[6]O[3])(N[6]C[3,6]C)(O)	C[3,6](C[3]C[6a]O[3]H)(C[6]N[6]O)(N[6]C[6]C)(O[3]C[3])	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>}	C[3,6](C[3]C[6a]O[3]H)(C[6]N[6]O)(N[6]C[6]C)(O[3]C[3]){1|O<1>,2|C<3>,2|C<4>}	O(C[6]C[3,6]N[6])	121.7380	0.338	3	121.7380	0.115	3	121.7380	0.115	3	121.7380	0.115	3	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:3:3:3:	3:	C[3,6]-4:C[6,6a]-3:O-1:	C[3,6]-4:C[6]-3:C[6a]-3:N[3]-3:	C[6]-3:	C[6](C[3,6]C[3,6]C[6a]N[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,6](C[3,6]N[3]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[3]C[3,6]H)	O(C[6]C[6,6a]C[3,6])	C[6](C[3,6]C[3,6]C[6a]N[3])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[3,6](C[3,6]N[3]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[3]C[3,6]H){2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[3,6])	119.4110	0.000	1	119.4110	0.000	1	119.4110	0.000	1	120.2705	1.477	2	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:3:3:3:	3:	C[3,6]-4:N[6]-3:O-1:	C[3]-4:C[3]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3]2C[6])(N[6]C[6a]C[6])(O)	C[3,6](C[3]C[3]HH)(C[3]C[3]H)(C[6]C[6]C)(C[6]N[6]O)	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>}	C[3,6](C[3]C[3]HH)(C[3]C[3]H)(C[6]C[6]C)(C[6]N[6]O){1|C<2>,1|C<3>,1|C<4>}	O(C[6]C[3,6]N[6])	121.1300	0.000	1	121.1300	0.000	1	121.1300	0.000	1	120.2705	1.477	2	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-3:O-1:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]Br)(O)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]O)(H)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]Br)(O){1|C<4>,2|C<3>,2|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>}	O(C[6]C[3,6]C[6])	122.1320	0.000	1	122.1320	0.000	1	121.3465	1.234	2	121.7733	1.392	4	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-3:O-1:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(O)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]O)(H)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]C[5]C)(C[6]C[6]O)(H){1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[3,6]C[6])	120.5610	0.000	1	120.5610	0.000	1	121.3465	1.234	2	121.7733	1.392	4	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-3:O-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]H)(O)	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(C[6]C[6]O)(H)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]H)(O){1|C<3>,1|C<4>,3|H<1>}	C[3,6](C[3,6]C[6,6]C[3]H)(C[3]C[3,6]HH)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[3,6]C[6])	123.2520	0.000	1	123.2520	0.000	1	123.2520	0.000	1	121.7733	1.392	4	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-3:O-1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[6]O)(H)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|O<1>,5|C<3>}	O(C[6]C[3,6]C[6])	121.1480	0.000	1	121.1480	0.000	1	121.1480	0.000	1	121.7733	1.392	4	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:4:3:2:	3:	C[3,6]-4:C[6]-3:O-1:	C[3x6]-4:C[3]-4:C[6]-3:O[3]-2:	C[6]-3:	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]C)(O)	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3])	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]C)(O){2|C<4>,4|H<1>}	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3]){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[3,6]C[6])	122.7295	0.911	2	122.5977	0.468	3	122.5977	0.468	3	122.5977	0.468	3	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:4:3:2:	3:	C[3,6]-4:C[6]-3:O-1:	C[3x6]-4:C[3]-4:C[6]-3:O[3]-2:	C[6]-3:	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]C)(O)	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3])	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]C)(O){3|C<4>,3|H<1>}	C[3,6](C[3x6]C[3x6]2H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3]){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[3,6]C[6])	122.3340	0.000	1	122.5977	0.468	3	122.5977	0.468	3	122.5977	0.468	3	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:4:3:3:	3:	C[3,6]-4:C[6,6a]-3:O-1:	C[3]-4:C[3,6]-4:C[6]-3:C[6a]-3:	C[6]-3:	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(O)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	O(C[6]C[6,6a]C[3,6])	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6,6a]C[6,6a]C[6a])(O){3|H<1>,6|C<3>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[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]C[3,6])	121.0690	0.000	1	121.0690	0.000	1	121.0690	0.000	1	121.7413	0.938	10	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:4:3:3:	3:	C[3,6]-4:C[6]-3:O-1:	C[3,6]-4:C[3]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(CCO)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(CCO){1|C<3>,1|O<2>,2|C<4>}	O(C[6]C[3,6]C[6])	120.6950	0.000	1	120.6950	0.000	1	120.6950	0.000	1	121.7413	0.938	10	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:4:3:3:	3:	C[3,6]-4:N[6]-3:O-1:	C[3,6]-4:C[3]-4:C[6]-3:N-3:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]N)(N[6]C[6]H)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]N[6]O)(NOO)	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>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]N[6]O)(NOO){1|C<4>,3|H<1>}	O(C[6]C[3,6]N[6])	121.3135	0.333	2	121.3135	0.111	2	121.3135	0.111	2	121.7413	0.938	10	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:4:3:3:	3:	C[3,6]-4:N[6]-3:O-1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3]2C[6])(N[6]C[6]C)(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[6]N[6]O)2	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>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[6]N[6]O)2{2|C<4>,3|C<3>}	O(C[6]C[3,6]N[6])	121.8085	1.370	2	122.0850	0.746	4	121.8918	0.746	5	121.7413	0.938	10	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:4:3:3:	3:	C[3,6]-4:N[6]-3:O-1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3]2C[6])(N[6]C[6]C)(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[6]N[6]O)2	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>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[6]N[6]O)2{2|C<4>,3|C<3>}	O(C[6]C[3,6]N[6])	122.3615	0.235	2	122.0850	0.746	4	121.8918	0.746	5	121.7413	0.938	10	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:4:3:3:	3:	C[3,6]-4:N[6]-3:O-1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3]2C[6])(N[6]C[6a]C[6])(O)	C[3,6](C[3]C[3]HH)2(C[6]C[6]C)(C[6]N[6]O)	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>}	C[3,6](C[3]C[3]HH)2(C[6]C[6]C)(C[6]N[6]O){1|C<2>,1|C<3>,1|C<4>}	O(C[6]C[3,6]N[6])	121.1190	0.000	1	121.1190	0.000	1	121.8918	0.746	5	121.7413	0.938	10	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:4:3:3:	3:	C[3,6]-4:N[6]-3:O-1:	C[3]-4:C[3]-4:C[6]-3:N[6]-3:	C[6]-3:	C[6](C[3,6]C[3]2N[6])(N[6]C[6]C)(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]N[6]O)(N[6]C[6]C)	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>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]N[6]O)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>}	O(C[6]C[3,6]N[6])	123.5630	0.000	1	123.5630	0.000	1	123.5630	0.000	1	121.7413	0.938	10	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:4:3:4:	3:	C[3,6]-4:C[6]-3:O-1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(CC3)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	O(C[6]C[3,6]C[6])	122.0310	0.000	1	122.0310	0.000	1	122.0310	0.000	1	121.4210	0.420	3	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:4:3:4:	3:	C[3,6]-4:C[6]-3:O-1:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]H)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,5|C<3>}	O(C[6]C[3,6]C[6])	120.7410	0.000	1	120.7410	0.000	1	120.7410	0.000	1	121.4210	0.420	3	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:1:	4:4:3:4:	3:	C[3,6]-4:N[6]-3:O-1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]N[6]O)(CH3)	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>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]N[6]O)(CH3){1|C<4>,1|S<4>,2|H<1>}	O(C[6]C[3,6]N[6])	121.4910	0.000	1	121.4910	0.000	1	121.4910	0.000	1	121.4210	0.420	3	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	3:3:4:4:	3:	C[4,5,6]-4:C[3,6]-4:O-1:	C[6]-3:C[6]-3:C[3]-4:C[3]-4:	C[6]-3:	C[6](C[4,5,6]C[4,5,6]C[4]O[5])(C[3,6]C[3]2C[6])(O)	C[3,6](C[6]C[4,5,6]O)(C[6]C[6a]C[6])(C[3]C[3]HH)2	O(C[6]C[4,5,6]C[3,6])	C[6](C[4,5,6]C[4,5,6]C[4]O[5])(C[3,6]C[3]2C[6])(O){1|C<4>,4|C<3>,6|H<1>}	C[3,6](C[6]C[4,5,6]O)(C[6]C[6a]C[6])(C[3]C[3]HH)2{1|O<2>,2|C<4>,3|C<3>}	O(C[6]C[4,5,6]C[3,6])	122.9310	0.000	1	122.9310	0.000	1	122.9310	0.000	1	122.9310	0.000	1	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	3:4:4:3:	3:	C[3,6]-4:C[6]-4:O-1:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[6]-3:	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[5,6]HH)(O)	C[3,6](C[6,6a]C[5,6,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]O)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[5,6]HH)(O){2|C<3>,3|C<4>,3|H<1>}	C[3,6](C[6,6a]C[5,6,6a]C[6a])(C[3]C[3]CC)(C[3]C[3]HH)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[3,6]C[6])	121.1340	0.000	1	121.1340	0.000	1	121.1340	0.000	1	121.1340	0.000	1	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:2:3:1:	3:	C[3,6]-4:C[3,6]-4:O-1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(O)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[3,6]O)(H)	O(C[6]C[3,6]2)	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(O){1|H<1>,2|C<4>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[3,6]O)(H){2|H<1>,2|O<2>,4|C<4>}	O(C[6]C[3,6]2)	120.3980	0.000	1	120.3980	0.000	1	120.3980	0.000	1	119.1518	1.042	6	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:2:3:1:	3:	C[3,6]-4:C[6]-4:O-1:	C[3,5,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(O)	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]O)(H)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[3,6]C[6])	120.2820	0.000	1	120.2820	0.000	1	120.2820	0.000	1	119.1518	1.042	6	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:2:3:1:	3:	C[3,6]-4:C[6]-4:O-1:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]HH)(O)	C[3,6](C[3,6,6]C[5,6]C[6,6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[3,6](C[3,6,6]C[5,6]C[6,6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(H){2|H<1>,2|O<2>,4|C<4>}	O(C[6]C[3,6]C[6])	118.7550	0.000	1	118.7550	0.000	1	118.7550	0.000	1	119.1518	1.042	6	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:2:3:1:	3:	C[3,6]-4:C[6]-4:O-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CC)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]CC)(O){1|C<3>,1|C<4>,1|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,4|C<4>}	O(C[6]C[3,6]C[6])	119.0830	0.000	1	119.0830	0.000	1	118.4920	0.457	3	119.1518	1.042	6	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:2:3:1:	3:	C[3,6]-4:C[6]-4:O-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CC)(O)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CC)(O){1|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(H){1|C<3>,4|C<4>}	O(C[6]C[3,6]C[6])	118.1965	0.624	2	118.1965	0.390	2	118.4920	0.457	3	119.1518	1.042	6	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:2:3:4:	3:	C[3,6]-4:C[6]-4:O-1:	C[3,6,6]-4:O[3]-2:C[6]-3:C-4:	C[6]-3:	C[6](C[3,6]C[3,6,6]O[3]C)(C[6]C[6]HH)(O)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(CH3)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6,6]O[3]C)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(CH3){1|O<1>,2|H<1>,4|C<4>}	O(C[6]C[3,6]C[6])	119.2990	0.000	1	119.2990	0.000	1	119.2990	0.000	1	119.7980	0.191	3	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:2:3:4:	3:	C[3,6]-4:C[6]-4:O-1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(O)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CH3)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CH3){1|C<4>,4|H<1>}	O(C[6]C[3,6]C[6])	120.0475	0.087	2	120.0475	0.008	2	120.0475	0.008	2	119.7980	0.191	3	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:3:2:1:	3:	C[3,6]-4:C[3,6]-4:O-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]O[3]H)(O)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]O)(O[3]C[3,6])(H)	O(C[6]C[3,6]2)	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]O[3]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]O)(O[3]C[3,6])(H){1|O<1>,3|C<4>}	O(C[6]C[3,6]2)	118.5592	0.447	4	118.5592	0.200	4	119.2097	1.146	6	119.3457	0.963	16	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:3:2:1:	3:	C[3,6]-4:C[3,6]-4:O-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]H)2(O)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(H)	O(C[6]C[3,6]2)	C[6](C[3,6]C[3,6]O[3]H)2(O){1|C<4>,2|H<1>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(H){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[3,6]2)	120.5105	0.231	2	120.5105	0.053	2	119.2097	1.146	6	119.3457	0.963	16	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:3:2:1:	3:	C[3,6]-4:C[6,6]-4:O-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(O)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	O(C[6]C[3,6]C[6,6])	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(O){1|N<3>,2|C<4>,4|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[3,6]C[6,6])	120.1320	0.000	1	120.1320	0.000	1	120.1320	0.000	1	119.3457	0.963	16	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:3:2:1:	3:	C[4,6]-4:C[3,6]-4:O-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6]-3:	C[6](C[4,6]C[4,5,5,6]C[4,5]H)(C[3,6]C[3,6]O[3]H)(O)	C[3,6](C[3,6]C[5,5,6]O[3]H)(C[6]C[4,6]O)(O[3]C[3,6])(H)	O(C[6]C[3,6]C[4,6])	C[6](C[4,6]C[4,5,5,6]C[4,5]H)(C[3,6]C[3,6]O[3]H)(O){1|H<1>,1|O<2>,4|C<4>}	C[3,6](C[3,6]C[5,5,6]O[3]H)(C[6]C[4,6]O)(O[3]C[3,6])(H){1|H<1>,1|N<3>,3|C<4>}	O(C[6]C[3,6]C[4,6])	121.1420	0.000	1	121.1420	0.000	1	121.1420	0.000	1	119.3457	0.963	16	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:3:2:1:	3:	C[5,6,6]-4:C[3,6]-4:O-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6]-3:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[3,6]C[3,6]O[3]H)(O)	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6,6]O)(O[3]C[3,6])(H)	O(C[6]C[5,6,6]C[3,6])	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[3,6]C[3,6]O[3]H)(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[3,6](C[3,6]C[5,6]O[3]H)(C[6]C[5,6,6]O)(O[3]C[3,6])(H){1|H<1>,1|O<2>,3|C<4>}	O(C[6]C[5,6,6]C[3,6])	118.9570	0.445	3	118.9570	0.198	3	118.9570	0.198	3	119.3457	0.963	16	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:3:2:1:	3:	C[5,6]-4:C[3,6]-4:O-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6]-3:	C[6](C[5,6]C[5,5,6]C[5]C)(C[3,6]C[3,6]O[3]H)(O)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]O)(O[3]C[3,6])(H)	O(C[6]C[3,6]C[5,6])	C[6](C[5,6]C[5,5,6]C[5]C)(C[3,6]C[3,6]O[3]H)(O){3|H<1>,4|C<4>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]O)(O[3]C[3,6])(H){1|H<1>,4|C<4>}	O(C[6]C[3,6]C[5,6])	118.1710	0.354	2	118.1710	0.125	2	118.1710	0.125	2	119.3457	0.963	16	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:3:2:1:	3:	C[6,6]-4:C[3,6]-4:O-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6]-3:	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[3,6]C[3,6]O[3]H)(O)	C[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	O(C[6]C[3,6]C[6,6])	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[3,6]C[3,6]O[3]H)(O){1|H<1>,4|C<3>}	C[3,6](C[3,6]C[6,6a]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|O<2>,3|C<3>}	O(C[6]C[3,6]C[6,6])	119.9350	0.076	2	119.9350	0.006	2	119.9290	0.003	3	119.3457	0.963	16	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:3:2:1:	3:	C[6,6]-4:C[3,6]-4:O-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6]-3:	C[6](C[6,6]C[6,6]C[6]Br)(C[3,6]C[3,6]O[3]H)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H)	O(C[6]C[3,6]C[6,6])	C[6](C[6,6]C[6,6]C[6]Br)(C[3,6]C[3,6]O[3]H)(O){2|C<4>,2|O<2>,3|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|Br<1>,1|O<2>,3|C<4>}	O(C[6]C[3,6]C[6,6])	119.9170	0.000	1	119.9170	0.000	1	119.9290	0.003	3	119.3457	0.963	16	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:3:2:4:	3:	C[3,6,6]-4:C[3,6]-4:O-1:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[6]-3:	C[6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(O)	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6,6]O)(O[3]C[3,6])(CCCH)	O(C[6]C[3,6,6]C[3,6])	C[6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(O){1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6,6]O)(O[3]C[3,6])(CCCH){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[3,6,6]C[3,6])	122.4920	0.000	1	122.4920	0.000	1	122.4920	0.000	1	120.6220	1.165	6	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:3:2:4:	3:	C[3,6]-4:C[3,6]-4:O-1:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[6]-3:	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CHHO)	O(C[6]C[3,6]2)	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(O){1|H<1>,2|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CHHO){1|H<1>,2|C<4>,2|O<2>}	O(C[6]C[3,6]2)	120.9190	0.000	1	120.9190	0.000	1	120.2480	0.408	5	120.6220	1.165	6	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:3:2:4:	3:	C[3,6]-4:C[3,6]-4:O-1:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]C)(O)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CH3)	O(C[6]C[3,6]2)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CH3){1|H<1>,1|O<1>,2|C<4>}	O(C[6]C[3,6]2)	120.0803	0.596	4	120.0803	0.356	4	120.2480	0.408	5	120.6220	1.165	6	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:3:3:1:	3:	C[3,6]-4:C[6]-4:O-1:	C[3,6]-4:N[3]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(O)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]O)(H)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(O){2|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	O(C[6]C[3,6]C[6])	120.2390	0.000	1	120.2390	0.000	1	120.2390	0.000	1	120.2390	0.000	1	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:3:1:	3:	C[3,6]-4:C[3,6]-4:O-1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]C)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[3,6]O)(H)	O(C[6]C[3,6]2)	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[3,6]O)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	O(C[6]C[3,6]2)	121.1328	0.700	4	121.1328	0.489	4	121.1328	0.489	4	120.8807	1.888	21	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:3:1:	3:	C[3,6]-4:C[4,6]-4:O-1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(C[4,6]C[4,6]C[4]C)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[4,6]O)(H)	O(C[6]C[3,6]C[4,6])	C[6](C[3,6]C[3,6]C[3]H)(C[4,6]C[4,6]C[4]C)(O){2|H<1>,3|C<3>,3|C<4>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[4,6]O)(H){1|O<1>,3|C<4>,4|C<3>}	O(C[6]C[3,6]C[4,6])	118.8770	0.460	2	118.8770	0.211	2	118.8770	0.211	2	120.8807	1.888	21	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:3:1:	3:	C[3,6]-4:C[6,6]-4:O-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6,6]C[6,6]C[6]H)(O)	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6,6]O)(H)	O(C[6]C[3,6]C[6,6])	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6,6]C[6,6]C[6]H)(O){4|H<1>,5|C<4>}	C[3,6](C[3,6,6]C[3,6]C[6]2)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6,6]O)(H){1|O<2>,4|C<4>,6|H<1>}	O(C[6]C[3,6]C[6,6])	120.7740	0.000	1	120.7740	0.000	1	120.7740	0.000	1	120.8807	1.888	21	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:3:1:	3:	C[3,6]-4:C[6,6]-4:O-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]O)(H)	O(C[6]C[3,6]C[6,6])	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(O){1|O<2>,4|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6,6]O)(H){2|C<4>,3|H<1>}	O(C[6]C[3,6]C[6,6])	120.5760	0.000	1	120.5760	0.000	1	120.5760	0.000	1	120.8807	1.888	21	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-4:O-1:	C[3,5,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,5,6]C[3]H)(C[6]C[6,6a]CO)(O)	C[3,6](C[3,5,6]C[5,6,6a]C[3]C[5])(C[3]C[3,5,6]CC)(C[6]C[6]O)(H)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,5,6]C[3]H)(C[6]C[6,6a]CO)(O){2|C<4>,3|C<3>}	C[3,6](C[3,5,6]C[5,6,6a]C[3]C[5])(C[3]C[3,5,6]CC)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[3,6]C[6])	119.2140	0.000	1	119.2140	0.000	1	120.7830	4.924	2	120.8807	1.888	21	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-4:O-1:	C[3,5,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,5,6]C[3]H)(C[6]C[6]HH)(O)	C[3,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[6]C[6]O)(H)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,5,6]C[3]H)(C[6]C[6]HH)(O){2|C<4>,4|H<1>}	C[3,6](C[3,5,6]C[5,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[6]C[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[3,6]C[6])	122.3520	0.000	1	122.3520	0.000	1	120.7830	4.924	2	120.8807	1.888	21	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-4:O-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(O)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O(C[6]C[3,6]C[6])	120.6225	0.474	2	120.6225	0.225	2	120.6225	0.225	2	120.8807	1.888	21	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-4:O-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]O)(H)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(O){1|C<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	O(C[6]C[3,6]C[6])	120.2390	0.000	1	120.2390	0.000	1	120.0413	0.146	3	120.8807	1.888	21	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-4:O-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]O)(H)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(O){1|C<2>,2|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	O(C[6]C[3,6]C[6])	120.2840	0.000	1	120.2840	0.000	1	120.0413	0.146	3	120.8807	1.888	21	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-4:O-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HN)(C[6]C[6]O)(H)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HN)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	O(C[6]C[3,6]C[6])	119.6010	0.000	1	119.6010	0.000	1	120.0413	0.146	3	120.8807	1.888	21	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-4:O-1:	C[3,6]-4:C[3]-4:C[6]-3:I-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]I)(C[6]C[6]CC)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(I)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]I)(C[6]C[6]CC)(O){1|C<4>,5|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(I){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[3,6]C[6])	122.2673	0.100	3	122.2673	0.010	3	122.2673	0.010	3	120.8807	1.888	21	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-4:O-1:	C[3]-4:C[3,6]-4:C[6]-3:F-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]F)(C[6]C[6]ClF)(O)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]F)(C[6]C[6]O)(F)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]F)(C[6]C[6]ClF)(O){1|H<1>,2|C<3>,2|F<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]F)(C[6]C[6]O)(F){1|Cl<1>,2|F<1>,3|C<3>}	O(C[6]C[3,6]C[6])	123.1095	0.595	2	123.1095	0.354	2	123.1095	0.354	2	120.8807	1.888	21	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-4:O-1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[6]O)(H)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(O){1|C<4>,2|H<1>,3|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]C)(C[6]C[6]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	O(C[6]C[3,6]C[6])	118.9030	0.000	1	118.9030	0.000	1	118.9030	0.000	1	120.8807	1.888	21	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:3:3:	3:	C[3,6]-4:C[6]-4:O-1:	C[3,6]-4:C[3]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]CC)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]O)(COO)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]CC)(O){1|C<3>,1|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]O)(COO){2|H<1>,3|C<4>}	O(C[6]C[3,6]C[6])	120.0110	0.000	1	120.0110	0.000	1	119.9680	0.004	2	120.7519	1.382	7	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:3:3:	3:	C[3,6]-4:C[6]-4:O-1:	C[3,6]-4:C[3]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]O)(COO)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O){2|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]O)(COO){1|C<4>,4|H<1>}	O(C[6]C[3,6]C[6])	119.9250	0.000	1	119.9250	0.000	1	119.9680	0.004	2	120.7519	1.382	7	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:3:3:	3:	C[3,6]-4:C[6]-4:O-1:	C[3,6]-4:C[3]-4:C[6]-3:N[5]-3:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]N[5])(C[6]C[6]HH)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(N[5]C[5]2)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]N[5])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[3,6]C[6])	119.7670	0.000	2	119.7670	0.000	2	119.7670	0.000	2	120.7519	1.382	7	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:3:3:	3:	C[3,6]-4:C[6]-4:O-1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]HH)(O)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]HH)(O){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,2|C<3>,6|H<1>}	O(C[6]C[3,6]C[6])	122.6210	0.000	1	122.6210	0.000	1	122.6210	0.000	1	120.7519	1.382	7	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:3:3:	3:	C[3,6]-4:C[6]-4:O-1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]O)2	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]O)2{1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[3,6]C[6])	121.5860	0.485	2	121.5860	0.235	2	121.5860	0.235	2	120.7519	1.382	7	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:3:4:	3:	C[3,6]-4:C[3,6]-4:O-1:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]O[3]H)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[3,6]O)(CH3)	O(C[6]C[3,6]2)	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]O[3]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[3,6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O(C[6]C[3,6]2)	121.6540	0.320	4	121.6540	0.103	4	121.6540	0.103	4	120.6925	1.071	10	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:3:4:	3:	C[3,6]-4:C[4,6]-4:O-1:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]C)(C[4,6]C[4,6]C[4]H)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[4,6]O)(CH3)	O(C[6]C[3,6]C[4,6])	C[6](C[3,6]C[3,6]C[3]C)(C[4,6]C[4,6]C[4]H)(O){2|C<4>,3|C<3>,3|H<1>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[4,6]O)(CH3){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	O(C[6]C[3,6]C[4,6])	119.3170	0.612	2	119.3170	0.375	2	119.3170	0.375	2	120.6925	1.071	10	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:3:4:	3:	C[3,6]-4:C[6]-4:O-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[3,6]C[3,6,6]C[3,6]C)(C[6]C[6]HH)(O)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6,6]C[3,6]C)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O(C[6]C[3,6]C[6])	119.8180	0.000	1	119.8180	0.000	1	119.8180	0.000	1	120.6925	1.071	10	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:3:4:	3:	C[3,6]-4:C[6]-4:O-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[3,6]C[3,6,6]C[3,6]S)(C[6]C[6]HH)(O)	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6,6]C[3,6]S)(C[6]C[6]HH)(O){2|C<4>,4|H<1>}	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[3,6]C[6])	120.0260	0.000	1	120.0260	0.000	1	120.0260	0.000	1	120.6925	1.071	10	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:3:4:	3:	C[3,6]-4:C[6]-4:O-1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[5,5,6]HH)(O)	C[3,6](C[3,6]C[5,5,6]C[3]C)(C[3]C[3,6]HH)(C[6]C[6]O)(CH3)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[5,5,6]HH)(O){2|H<1>,4|C<4>}	C[3,6](C[3,6]C[5,5,6]C[3]C)(C[3]C[3,6]HH)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[3,6]C[6])	121.2040	0.000	1	121.2040	0.000	1	121.2040	0.000	1	120.6925	1.071	10	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:3:4:	3:	C[3,6]-4:C[6]-4:O-1:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	O(C[6]C[3,6]C[6])	120.6270	0.000	1	120.6270	0.000	1	120.6270	0.000	1	120.6925	1.071	10	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:4:3:	3:	C[3,6]-4:C[6]-4:O-1:	C[3,5]-4:C[3,5]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(O)	C[3,6](C[3,5]C[3,5]C[5]H)2(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,6|H<1>}	C[3,6](C[3,5]C[3,5]C[5]H)2(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<4>,6|H<1>}	O(C[6]C[3,6]C[6])	120.4190	0.000	1	120.4190	0.000	1	120.4190	0.000	1	121.0558	0.378	5	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:4:3:	3:	C[3,6]-4:C[6]-4:O-1:	C[3,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]CC)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]CC)(O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O){1|I<1>,2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[3,6]C[6])	121.0905	0.173	2	120.9483	0.076	3	120.9483	0.076	3	121.0558	0.378	5	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:4:3:	3:	C[3,6]-4:C[6]-4:O-1:	C[3,6]-4:C[3]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]CC)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]CC)(O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]2O)(C[6]C[6]O){3|C<3>,3|C<4>,4|H<1>}	O(C[6]C[3,6]C[6])	120.6640	0.000	1	120.9483	0.076	3	120.9483	0.076	3	121.0558	0.378	5	121.0217	2.319	188	121.1942	2.751	232
762	486	863	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:4:1:	4:4:4:3:	3:	C[3,6]-4:C[6]-4:O-1:	C[3]-4:C[3]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(O)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]O)	O(C[6]C[3,6]C[6])	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,6|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[3,6]C[6])	122.0150	0.000	1	122.0150	0.000	1	122.0150	0.000	1	121.0558	0.378	5	121.0217	2.319	188	121.1942	2.751	232
762	486	893	0:SP2_SP2_SP3	C[6]	C[3,5,6]	O	4:2:2:	4:4:3:3:	3:4:	C[3,5,6]-4:O[6]-2:O-2:	C[3,5]-4:C[3,6]-4:C[5]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(O[6]B[6])(OC)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]P[5]C)(C[6]O[6]O)	O(C[6]C[3,5,6]O[6])(CH3)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(O[6]B[6])(OC){1|H<1>,1|P<4>,3|C<3>,3|C<4>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]P[5]C)(C[6]O[6]O){1|B<4>,2|C<4>,4|H<1>}	O(C[6]C[3,5,6]O[6])(CH3)	116.3370	0.000	1	116.3370	0.000	1	116.3370	0.000	1	116.3370	0.000	1	114.7070	5.314	2	113.9126	3.224	5
762	486	893	0:SP2_SP2_SP3	C[6]	C[3,5,6]	O	4:3:2:	4:3:2:3:	3:4:	C[3,5,6]-4:C[6]-3:O-2:	C[3,5]-4:C[5,6]-3:O[3]-2:C[6]-3:	C[6]-3:C-4:	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6]H)(OC)	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[5]C[6])(O[3]C[3,5])(C[6]C[6]O)	O(C[6]C[3,5,6]C[6])(CH3)	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6]H)(OC){1|C<3>,1|O<1>,3|C<4>}	C[3,5,6](C[3,5]C[5]O[3]C)(C[5,6]C[5]C[6])(O[3]C[3,5])(C[6]C[6]O){1|C<3>,6|H<1>}	O(C[6]C[3,5,6]C[6])(CH3)	113.0770	0.000	1	113.0770	0.000	1	113.0770	0.000	1	113.0770	0.000	1	114.7070	5.314	2	113.9126	3.224	5
762	486	893	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:2:	4:3:2:1:	3:1:	C[3,6]-4:C[6,6]-3:O-2:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6]-3:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(OH)	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]O)(O[3]C[3,6])(H)	O(C[6]C[3,6]C[6,6])(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]O)(O[3]C[3,6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[6]C[3,6]C[6,6])(H)	114.3380	0.081	2	114.3380	0.006	2	114.3380	0.006	2	114.3380	0.006	2	113.3830	2.739	3	113.9126	3.224	5
762	486	893	0:SP2_SP2_SP3	C[6]	C[3,6]	O	4:3:2:	4:4:3:1:	3:4:	C[3,6]-4:C[6]-3:O-2:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:C-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(OC)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[3,6]C[6])(CH3)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(OC){2|C<3>,3|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(H){1|H<1>,4|C<3>}	O(C[6]C[3,6]C[6])(CH3)	111.4730	0.000	1	111.4730	0.000	1	111.4730	0.000	1	111.4730	0.000	1	113.3830	2.739	3	113.9126	3.224	5
762	486	899	0:SP2_SP-NON_SP3	C[6]	C[3,6]	C	4:3:1:	4:4:3:3:	3:	C[3,6]-4:C[6]-3:C-1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(C)	C[3,6](C[3]C[3]HH)2(C[6]C[6]C)(C[6]N[6]O)	C(C[6]C[3,6]C[6])	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(C){1|N<3>,1|O<1>,6|H<1>}	C[3,6](C[3]C[3]HH)2(C[6]C[6]C)(C[6]N[6]O){1|C<2>,1|C<3>,1|C<4>}	C(C[6]C[3,6]C[6])	118.4310	0.000	1	118.4310	0.000	1	118.4310	0.000	1	118.4310	0.000	1	118.4310	0.000	1	118.4310	0.000	1
762	486	914	0:SP2_SP2_SP3	C[6]	C[3]	N[6]	3:2:4:	3:4:4:1:	3:3:	N[6,6]-3:N[6]-2:C[3]-4:	C[6]-3:C[3]-4:C[3]-4:H-1:	C[6,6a]-3:C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6a])(C[3]C[3]2H)	C[3](C[6]N[6,6]N[6])(C[3]C[3]HH)2(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[3])	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6a])(C[3]C[3]2H){1|N<3>,4|C<3>,5|H<1>}	C[3](C[6]N[6,6]N[6])(C[3]C[3]HH)2(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[3]){2|H<1>,3|C<3>,3|C<4>}	117.7530	0.000	1	117.7530	0.000	1	117.7530	0.000	1	117.7530	0.000	1	116.5387	0.792	4	116.5387	0.792	4
762	486	914	0:SP2_SP2_SP3	C[6]	C[3]	N[6]	3:4:2:	3:4:4:1:	3:4:	C[6,6a]-3:C[3]-4:N[6]-2:	C[6]-3:C[3]-4:C[3]-4:H-1:	C[6]-3:S[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(N[6]S[6])	C[3](C[6]C[6,6a]N[6])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(H)	N[6](C[6]C[6,6a]C[3])(S[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3]2H)(N[6]S[6]){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[3](C[6]C[6,6a]N[6])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(H){1|S<4>,4|C<3>}	N[6](C[6]C[6,6a]C[3])(S[6]O[6]OO){1|H<1>,2|C<3>,2|C<4>}	115.9850	0.528	2	115.9850	0.278	2	115.9850	0.278	2	115.9850	0.278	2	116.5387	0.792	4	116.5387	0.792	4
762	486	914	0:SP2_SP2_SP3	C[6]	C[3]	N[6]	3:4:2:	4:4:3:1:	3:4:	C[6,6a]-3:C[3]-4:N[6]-2:	C[3,6]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:S[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]2H)(N[6]S[6])	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(C[6]C[6,6a]N[6])(H)	N[6](C[6]C[6,6a]C[3])(S[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[3]C[3,6]2H)(N[6]S[6]){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(C[6]C[6,6a]N[6])(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[3])(S[6]O[6]OO){1|H<1>,2|C<3>,2|C<4>}	116.4320	0.000	1	116.4320	0.000	1	116.4320	0.000	1	116.4320	0.000	1	116.5387	0.792	4	116.5387	0.792	4
762	486	914	6:SP2_SP2_SP3	C[6]	C[3,6]	N[6]	4:2:1:	4:4:3:1:	3:3:	C[3,6]-4:N[6]-2:Cl-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(N[6]N[5a,6])(Cl)	C[3,6](C[3,6]C[5a,6]C[3]H)(C[3]C[3,6]CH)(C[6]N[6]Cl)(H)	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[3,6]Cl)	C[6](C[3,6]C[3,6]C[3]H)(N[6]N[5a,6])(Cl){2|H<1>,3|C<3>}	C[3,6](C[3,6]C[5a,6]C[3]H)(C[3]C[3,6]CH)(C[6]N[6]Cl)(H){1|N<2>,1|N<3>}	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[3,6]Cl){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,2|C<4>}	128.8460	0.011	2	128.8460	0.000	2	128.8460	0.000	2	128.8460	0.000	2	125.5130	9.649	5	125.5130	9.649	5
762	486	914	6:SP2_SP2_SP3	C[6]	C[3,6]	N[6]	4:3:2:	4:3:4:1:	3:4:	C[3,6]-4:C[6a]-3:N[6]-2:	C[3,6]-4:C[6]-3:C[3]-4:H-1:	C[6]-3:C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(N[6]C[6])	C[3,6](C[3,6]C[3]N[6]H)(C[6]C[6a]N[6])(C[3]C[3,6]CC)(H)	N[6](C[6]C[3,6]C[6a])(C[6]N[6]CC)	C[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[3,6](C[3,6]C[3]N[6]H)(C[6]C[6a]N[6])(C[3]C[3,6]CC)(H){1|C<4>,3|C<3>}	N[6](C[6]C[3,6]C[6a])(C[6]N[6]CC){1|H<1>,2|C<4>,3|C<3>}	122.7880	0.222	2	122.7880	0.049	2	122.7880	0.049	2	122.7880	0.049	2	125.5130	9.649	5	125.5130	9.649	5
762	486	914	6:SP2_SP2_SP3	C[6]	C[3,6]	N[6]	4:3:2:	4:3:4:3:	3:3:	C[3,6]-4:C[6a]-3:N[6]-2:	C[3,6]-4:C[6]-3:C[3]-4:C-3:	C[6]-3:C[6]-3:	C[6](C[3,6]C[3,6]C[3]C)(C[6a]C[6a]2)(N[6]C[6])	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]N[6])(C[3]C[3,6]CC)(CC[6a]O)	N[6](C[6]C[3,6]C[6a])(C[6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[6]C[6a]N[6])(C[3]C[3,6]CC)(CC[6a]O){1|H<1>,3|C<3>}	N[6](C[6]C[3,6]C[6a])(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	124.2970	0.000	1	124.2970	0.000	1	124.2970	0.000	1	124.2970	0.000	1	125.5130	9.649	5	125.5130	9.649	5
762	486	930	0:SP2_SP2_SP3	C[6]	C[3,4,4,6]	C	4:3:3:	4:3:3:3:	3:3:4:	C[3,4,4,6]-4:C[6]-3:C-3:	C[4,4,3x6]-4:H[3,3,4]-3:H[3,3,4]-3:C[6]-3:	C[6]-3:C[5]-3:C-4:	C[6](C[3,4,4,6]C[4,4,3x6]H[3,3,4]2)(C[6]C[6]H)(CC[5]C)	C[3,4,4,6](C[4,4,3x6]C[4,4,3x6]C[3,4,4]C[6,6])(H[3,3,4]C[3,4,4]H[3,3,4])2(C[6]C[6]C)	C(C[6]C[3,4,4,6]C[6])(C[5]C[5,6a]C[5])(CCHH)	C[6](C[3,4,4,6]C[4,4,3x6]H[3,3,4]2)(C[6]C[6]H)(CC[5]C){1|C<4>,1|H<1>,2|C<3>}	C[3,4,4,6](C[4,4,3x6]C[4,4,3x6]C[3,4,4]C[6,6])(H[3,3,4]C[3,4,4]H[3,3,4])2(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[3,4,4,6]C[6])(C[5]C[5,6a]C[5])(CCHH)	116.1610	0.000	1	116.1610	0.000	1	116.1610	0.000	1	116.1610	0.000	1	116.1610	0.000	1	120.0481	10.298	16
762	486	930	0:SP2_SP2_SP3	C[6]	C[3,6,6]	C	4:4:3:	4:4:2:3:	3:1:1:	C[3,6,6]-4:C[6]-4:C-3:	C[3,6]-4:C[6,6]-4:O[3]-2:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]2H)(CHH)	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C)	C(C[6]C[3,6,6]C[6])(H)2	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]2H)(CHH){2|C<3>,3|H<1>,5|C<4>}	C[3,6,6](C[3,6]C[6]O[3]H)(C[6,6]C[6]2C)(O[3]C[3,6])(C[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[3,6,6]C[6])(H)2	121.5180	0.000	1	121.5180	0.000	1	121.5180	0.000	1	121.5180	0.000	1	121.5180	0.000	1	120.0481	10.298	16
762	486	930	0:SP2_SP2_SP3	C[6]	C[3,6]	C	4:2:3:	4:4:3:1:	3:1:1:	C[3,6]-4:O[6]-2:C-3:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(CHH)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]O[6]C)(H)	C(C[6]C[3,6]O[6])(H)2	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(CHH){1|H<1>,4|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]O[6]C)(H){2|C<3>}	C(C[6]C[3,6]O[6])(H)2	123.4800	0.000	1	123.4800	0.000	1	123.4800	0.000	1	123.4800	0.000	1	120.2207	10.522	14	120.0481	10.298	16
762	486	930	0:SP2_SP2_SP3	C[6]	C[3,6]	C	4:3:3:	4:3:3:3:	3:1:1:	C[3,6]-4:C[6]-3:C-3:	C[3]-4:C[3]-3:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(CHH)	C[3,6](C[3]C[3]HH)(C[3]C[3]H)(C[6]C[6]C)(C[6]N[6]O)	C(C[6]C[3,6]C[6])(H)2	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(CHH){1|N<3>,1|O<1>,5|H<1>}	C[3,6](C[3]C[3]HH)(C[3]C[3]H)(C[6]C[6]C)(C[6]N[6]O){1|C<2>,1|C<3>,1|C<4>}	C(C[6]C[3,6]C[6])(H)2	119.6980	0.000	1	119.6980	0.000	1	119.6980	0.000	1	119.6980	0.000	1	120.2207	10.522	14	120.0481	10.298	16
762	486	930	0:SP2_SP2_SP3	C[6]	C[3,6]	C	4:3:3:	4:4:3:1:	3:1:1:	C[3,6]-4:N[6]-3:C-3:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6,6a]S)(CHH)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]N[6]C)(H)	C(C[6]C[3,6]N[6])(H)2	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6,6a]S)(CHH){2|H<1>,3|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]N[6]C)(H){1|S<4>,2|C<3>}	C(C[6]C[3,6]N[6])(H)2	123.5000	0.000	1	123.5000	0.000	1	123.5000	0.000	1	123.5000	0.000	1	120.2207	10.522	14	120.0481	10.298	16
762	486	930	0:SP2_SP2_SP3	C[6]	C[3,6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[3,6]-4:C[6]-3:C-3:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CNO)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]C)(H)	C(C[6]C[3,6]C[6])(NCH)(O)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CNO){2|C<3>,3|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[3,6]C[6])(NCH)(O)	122.5440	0.000	1	122.5440	0.000	1	122.5440	0.000	1	122.5440	0.000	1	120.2207	10.522	14	120.0481	10.298	16
762	486	930	0:SP2_SP2_SP3	C[6]	C[3,6]	C	4:3:3:	4:4:3:2:	3:4:4:	C[3,6]-4:C[6]-3:C-3:	C[5,6]-4:C[3]-4:C[6]-3:O[3]-2:	C[6]-3:C-4:C-4:	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]O)(CCC)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3]O[3]CC)(C[6]C[6]C)(O[3]C[3])	C(C[6]C[3,6]C[6])(CH3)2	C[6](C[3,6]C[5,6]C[3]O[3])(C[6]C[6]O)(CCC){3|H<1>,4|C<4>}	C[3,6](C[5,6]C[5,6]C[5]H)(C[3]O[3]CC)(C[6]C[6]C)(O[3]C[3]){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[3,6]C[6])(CH3)2	127.4130	0.000	1	127.4130	0.000	1	127.4130	0.000	1	127.4130	0.000	1	120.2207	10.522	14	120.0481	10.298	16
762	486	930	0:SP2_SP2_SP3	C[6]	C[3,6]	C	4:4:3:	4:2:3:1:	3:1:1:	C[3,6]-4:C[6,6]-4:C-3:	C[3,6,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6]C)(CHH)	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]C[6,6]C)(H)	C(C[6]C[3,6]C[6,6])(H)2	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6]C)(CHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[3,6](C[3,6,6]C[6,6]2O[3])(O[3]C[3,6,6])(C[6]C[6,6]C)(H){3|C<3>,5|C<4>}	C(C[6]C[3,6]C[6,6])(H)2	118.4405	0.517	4	118.4405	0.267	4	118.4405	0.267	4	118.4405	0.267	4	120.2207	10.522	14	120.0481	10.298	16
762	486	930	0:SP2_SP2_SP3	C[6]	C[3,6]	C	4:4:3:	4:4:3:1:	3:4:4:	C[3,6]-4:C[6]-4:C-3:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]CH)(CCC)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]C)(H)	C(C[6]C[3,6]C[6])(CH3)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]CH)(CCC){1|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[3,6]C[6])(CH3)2	123.3660	0.000	1	123.3660	0.000	1	123.3660	0.000	1	123.3660	0.000	1	120.2207	10.522	14	120.0481	10.298	16
762	486	930	0:SP2_SP2_SP3	C[6]	C[3,6]	C	4:4:3:	4:4:3:2:	3:1:1:	C[3,6]-4:C[6]-4:C-3:	C[3,6]-4:C[3]-4:C[6]-3:O-2:	C[6]-3:Cl-1:H-1:	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]HH)(CClH)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]C)(OC)	C(C[6]C[3,6]C[6])(Cl)(H)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]HH)(CClH){2|Br<1>,1|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Br2)(C[6]C[6]C)(OC){1|C<4>,4|H<1>}	C(C[6]C[3,6]C[6])(Cl)(H)	117.3390	0.000	1	117.3390	0.000	1	117.0323	0.090	3	117.0323	0.090	3	120.2207	10.522	14	120.0481	10.298	16
762	486	930	0:SP2_SP2_SP3	C[6]	C[3,6]	C	4:4:3:	4:4:3:2:	3:1:1:	C[3,6]-4:C[6]-4:C-3:	C[3,6]-4:C[3]-4:C[6]-3:O-2:	C[6]-3:Cl-1:H-1:	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]HH)(CClH)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]C)(OC)	C(C[6]C[3,6]C[6])(Cl)(H)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]HH)(CClH){2|Cl<1>,1|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]Cl2)(C[6]C[6]C)(OC){1|C<4>,4|H<1>}	C(C[6]C[3,6]C[6])(Cl)(H)	116.8790	0.195	2	116.8790	0.038	2	117.0323	0.090	3	117.0323	0.090	3	120.2207	10.522	14	120.0481	10.298	16
762	486	930	0:SP2_SP2_SP3	C[6]	C[3,6]	C	4:4:3:	4:4:3:3:	3:2:2:	C[3,6]-4:P[6]-4:C-3:	C[3,6]-4:C[3]-4:C[6]-3:C-3:	C[6]-3:O-2:O-2:	C[6](C[3,6]C[3,6]C[3]C)(P[6]C[6a]2C[6])(COO)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]P[6]C)(COO)	C(C[6]C[3,6]P[6])(OB)(OC)	C[6](C[3,6]C[3,6]C[3]C)(P[6]C[6a]2C[6])(COO){1|C<4>,4|C<3>,5|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]P[6]C)(COO){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[3,6]P[6])(OB)(OC)	118.2300	0.000	1	118.2300	0.000	1	118.2300	0.000	1	118.2300	0.000	1	120.2207	10.522	14	120.0481	10.298	16
762	486	941	0:SP2_SP2_SP3	C[6]	C[3,6]	N	4:2:2:	3:4:4:3:	3:4:	C[3,6]-4:O[6]-2:N-2:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[6]-3:S-4:	C[6](C[3,6]C[6,6a]C[3]2)(O[6]C[6])(NS)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]O[6]N)	N(C[6]C[3,6]O[6])(SC[6a]OO)	C[6](C[3,6]C[6,6a]C[3]2)(O[6]C[6])(NS){3|C<3>,5|H<1>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(C[6]O[6]N){1|C<4>,1|H<1>,4|C<3>}	N(C[6]C[3,6]O[6])(SC[6a]OO)	120.4020	0.000	1	120.4020	0.000	1	120.4020	0.000	1	120.4020	0.000	1	123.2877	5.609	6	123.2877	5.609	6
762	486	941	0:SP2_SP2_SP3	C[6]	C[3,6]	N	4:2:2:	4:3:4:3:	3:4:	C[3,6]-4:O[6]-2:N-2:	C[3,5]-4:C[6,6a]-3:C[3,5]-4:C[6]-3:	C[6]-3:S-4:	C[6](C[3,6]C[6,6a]C[3,5]2)(O[6]C[6])(NS)	C[3,6](C[3,5]C[5,6a]C[3,5]H)(C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[6]O[6]N)	N(C[6]C[3,6]O[6])(SC[6a]OO)	C[6](C[3,6]C[6,6a]C[3,5]2)(O[6]C[6])(NS){1|C<4>,3|C<3>,4|H<1>}	C[3,6](C[3,5]C[5,6a]C[3,5]H)(C[6,6a]C[6,6a]C[6a])(C[3,5]C[3,5]C[5]H)(C[6]O[6]N){1|C<4>,3|H<1>,4|C<3>}	N(C[6]C[3,6]O[6])(SC[6a]OO)	121.9090	1.519	2	121.9090	2.307	2	121.9090	2.307	2	121.9090	2.307	2	123.2877	5.609	6	123.2877	5.609	6
762	486	941	0:SP2_SP2_SP3	C[6]	C[3,6]	N	4:3:2:	4:4:3:1:	3:4:	C[3,6]-4:C[6]-3:N-2:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:S-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(NS)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[3,6]C[6])(SC[6a]OO)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(NS){2|H<1>,3|C<3>}	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]N)(H){1|H<1>,1|N<2>,5|C<3>}	N(C[6]C[3,6]C[6])(SC[6a]OO)	126.4490	0.000	1	126.4490	0.000	1	126.4490	0.000	1	126.4490	0.000	1	123.2877	5.609	6	123.2877	5.609	6
762	486	941	0:SP2_SP2_SP3	C[6]	C[3,6]	N	4:4:2:	4:3:3:3:	3:3:	C[3,6]-4:C[6]-4:N-2:	C[3,6]-4:C[3]-3:C[6]-3:C-3:	C[6]-3:N-3:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NN)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]C)(C[6]C[6]N)(COO)	N(C[6]C[3,6]C[6])(NC[6a]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NN){1|C<2>,1|C<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]C)(C[6]C[6]N)(COO){1|C<4>,4|H<1>}	N(C[6]C[3,6]C[6])(NC[6a]H)	124.0110	0.000	1	124.0110	0.000	1	124.0110	0.000	1	124.0110	0.000	1	123.2877	5.609	6	123.2877	5.609	6
762	486	941	0:SP2_SP2_SP3	C[6]	C[3,6]	N	4:4:2:	4:4:3:2:	3:3:	C[3,6]-4:C[6]-4:N-2:	C[3,6]-4:C[3]-4:C[6]-3:C-2:	C[6]-3:N-3:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NN)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]N)(CC)	N(C[6]C[3,6]C[6])(NHS)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NN){1|C<3>,1|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]N)(CC){1|C<4>,4|H<1>}	N(C[6]C[3,6]C[6])(NHS)	125.0460	0.000	1	125.0460	0.000	1	125.0460	0.000	1	125.0460	0.000	1	123.2877	5.609	6	123.2877	5.609	6
762	486	951	0:SP2_SP-NON_SP3	C[6,6]	C[3,6,6]	H	4:3:1:	4:4:3:1:	3:	C[3,6,6]-4:C[6,6]-3:H-1:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[3,6,6]C[3,5,6,6]2H)(C[6,6]C[5,5,6,6]H)(H)	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]Si)(C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]H)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3,6,6]C[6,6])	C[6,6](C[3,6,6]C[3,5,6,6]2H)(C[6,6]C[5,5,6,6]H)(H){1|Si<4>,2|C<4>,2|H<1>}	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]Si)(C[3,5,6,6]C[3,5,6,6]C[5,5,6,6]H)(C[6,6]C[6,6]H)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3,6,6]C[6,6])	121.4900	0.000	1	121.4900	0.000	1	121.4900	0.000	1	120.5737	2.016	3	120.7180	1.427	4	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6,6]	C[3,6,6]	H	4:3:1:	4:4:3:1:	3:	C[3,6,6]-4:C[6,6]-3:H-1:	C[3,5,6]-4:C[3,5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(H)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]H)(H)	H(C[6,6]C[3,6,6]C[6,6])	C[6,6](C[3,6,6]C[3,5,6]2H)(C[6,6]C[5,6,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6]C)(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3,6,6]C[6,6])	120.1155	1.665	2	120.1155	2.773	2	120.1155	2.773	2	120.5737	2.016	3	120.7180	1.427	4	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6,6]	C[3,6,6]	H	4:3:1:	4:4:3:3:	3:	C[3,6,6]-4:C[6,6]-3:H-1:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6,6]-3:C-3:	C[6,6]-3:	C[6,6](C[3,6,6]C[3,5,6,6]2C)(C[6,6]C[5,6,6]H)(H)	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])2(C[6,6]C[6,6]H)(COO)	H(C[6,6]C[3,6,6]C[6,6])	C[6,6](C[3,6,6]C[3,5,6,6]2C)(C[6,6]C[5,6,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])2(C[6,6]C[6,6]H)(COO){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	H(C[6,6]C[3,6,6]C[6,6])	121.1510	0.000	1	121.1510	0.000	1	121.1510	0.000	1	121.1510	0.000	1	120.7180	1.427	4	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,5,6,6]	H	4:3:1:	4:4:4:3:	3:	C[3,5,6,6]-4:C[6]-3:H-1:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[6]-3:	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[5,6]H)(H)	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]2)(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]H)	H(C[6]C[3,5,6,6]C[6])	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[5,6]H)(H){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]2)(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[3,5,6,6]C[6])	115.9635	0.812	2	115.9635	0.660	2	115.9635	0.660	2	115.9635	0.660	2	115.9635	0.660	2	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,5,6]	H	4:3:1:	4:4:4:3:	3:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6,6]H)(H)	C[3,5,6](C[3,5,6]C[6,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5]2H)(C[6]C[6]H)	H(C[6]C[3,5,6]C[6])	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6,6]H)(H){4|H<1>,5|C<4>}	C[3,5,6](C[3,5,6]C[6,6]C[3]C[5])(C[3]C[3,5,6]HH)(C[5]C[5]2H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[3,5,6]C[6])	119.5140	0.000	1	119.5140	0.000	1	119.3424	0.147	5	119.0614	0.473	14	119.0614	0.473	14	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,5,6]	H	4:3:1:	4:4:4:3:	3:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]C)(H)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H)	H(C[6]C[3,5,6]C[6])	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]C)(H){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[3,5,6]C[6])	118.7530	0.000	1	118.7530	0.000	1	119.3424	0.147	5	119.0614	0.473	14	119.0614	0.473	14	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,5,6]	H	4:3:1:	4:4:4:3:	3:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]H)(H)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]CF)(C[5]C[5]HH)(C[6]C[6]H)	H(C[6]C[3,5,6]C[6])	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]H)(H){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]CF)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,6|H<1>}	H(C[6]C[3,5,6]C[6])	119.3310	0.136	2	119.3310	0.018	2	119.3424	0.147	5	119.0614	0.473	14	119.0614	0.473	14	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,5,6]	H	4:3:1:	4:4:4:3:	3:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]O)(H)	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H)	H(C[6]C[3,5,6]C[6])	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]O)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[3,5,6](C[3,5,6]C[3]C[5]C[6])(C[3]C[3,5,6]Cl2)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|O<2>,5|H<1>}	H(C[6]C[3,5,6]C[6])	119.7830	0.000	1	119.7830	0.000	1	119.3424	0.147	5	119.0614	0.473	14	119.0614	0.473	14	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,5,6]	H	4:3:1:	4:4:4:3:	3:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5]-4:C[3,6]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]C)(H)	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)	H(C[6]C[3,5,6]C[6])	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[3,5,6](C[3,5]C[3,6]C[5]C)(C[3,6]C[3,5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[3,5,6]C[6])	118.5720	0.000	1	118.5720	0.000	1	118.5720	0.000	1	119.0614	0.473	14	119.0614	0.473	14	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,5,6]	H	4:3:1:	4:4:4:3:	3:	C[3,5,6]-4:C[6]-3:H-1:	C[3,5]-4:C[5,6]-4:C[3]-4:C[6]-3:	C[6]-3:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(H)	C[3,5,6](C[3,5]C[5,6a]C[6a]C[3])(C[5,6]C[5,6a]N[6]H)(C[3]C[3,5]HH)(C[6]C[6]H)	H(C[6]C[3,5,6]C[6])	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(H){1|N<3>,3|C<3>,5|H<1>}	C[3,5,6](C[3,5]C[5,6a]C[6a]C[3])(C[5,6]C[5,6a]N[6]H)(C[3]C[3,5]HH)(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[3,5,6]C[6])	118.3020	0.000	1	118.3020	0.000	1	118.3020	0.000	1	119.0614	0.473	14	119.0614	0.473	14	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,5,6]	H	4:3:1:	4:4:4:3:	3:	C[3,5,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,5]-4:C[5]-4:C[6]-3:	C[6]-3:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6a]O[6])(H)	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)	H(C[6]C[3,5,6]C[6])	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6a]O[6])(H){2|C<4>,3|H<1>,4|C<3>}	C[3,5,6](C[3,6]C[3,5]C[6a]C[6])(C[3,5]C[3,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[3,5,6]C[6])	118.9270	0.000	1	118.9270	0.000	1	118.9270	0.000	1	119.0614	0.473	14	119.0614	0.473	14	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,5,6]	H	4:3:1:	4:4:4:3:	3:	C[3,5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[3,5]-4:C[3]-4:C[6]-3:	C[6]-3:	C[6](C[3,5,6]C[5,6,6]C[3,5]C[3])(C[6]C[6]H)(H)	C[3,5,6](C[5,6,6]C[5,6]N[6,6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]H)	H(C[6]C[3,5,6]C[6])	C[6](C[3,5,6]C[5,6,6]C[3,5]C[3])(C[6]C[6]H)(H){1|N<3>,3|C<4>,5|H<1>}	C[3,5,6](C[5,6,6]C[5,6]N[6,6]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]H){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[3,5,6]C[6])	120.9480	0.000	1	120.9480	0.000	1	120.9480	0.000	1	119.0614	0.473	14	119.0614	0.473	14	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,5,6]	H	4:3:1:	4:4:4:3:	3:	C[3,5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[3,5]-4:C[3]-4:C[6]-3:	C[6]-3:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]H)(H)	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]H)	H(C[6]C[3,5,6]C[6])	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]H)(H){4|H<1>,5|C<4>}	C[3,5,6](C[5,6]C[6,6]C[5]C)(C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[6]C[6]H){2|C<4>,6|H<1>}	H(C[6]C[3,5,6]C[6])	118.6798	0.101	5	118.6798	0.010	5	118.6798	0.010	5	119.0614	0.473	14	119.0614	0.473	14	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6,6]	H	4:3:1:	3:4:4:3:	3:	C[3,6,6]-4:C[6]-3:H-1:	N[3,6]-3:C[3]-4:C[6,6]-4:C[6]-3:	C[6]-3:	C[6](C[3,6,6]C[6,6]N[3,6]C[3])(C[6]C[6]H)(H)	C[3,6,6](N[3,6]Si[6]C[3])(C[3]N[3,6]CH)(C[6,6]C[6]2H)(C[6]C[6]H)	H(C[6]C[3,6,6]C[6])	C[6](C[3,6,6]C[6,6]N[3,6]C[3])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	C[3,6,6](N[3,6]Si[6]C[3])(C[3]N[3,6]CH)(C[6,6]C[6]2H)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[3,6,6]C[6])	116.6680	0.000	1	116.6680	0.000	1	116.6680	0.000	1	116.6680	0.000	1	117.7535	0.840	4	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6,6]	H	4:3:1:	4:4:4:3:	3:	C[3,6,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3]-4:C[6,6]-4:C[6]-3:	C[6]-3:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]H)(H)	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]H)	H(C[6]C[3,6,6]C[6])	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]H)(H){1|O<1>,3|H<1>,4|C<4>}	C[3,6,6](C[3,6,6]C[6,6]C[3]C[6])(C[3]C[3,6,6]HH)(C[6,6]C[6]2H)(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	H(C[6]C[3,6,6]C[6])	118.7990	0.000	1	118.7990	0.000	1	118.7990	0.000	1	118.1153	0.475	3	117.7535	0.840	4	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6,6]	H	4:3:1:	4:4:4:3:	3:	C[3,6,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6]-4:C[6]-4:C[6]-3:	C[6]-3:	C[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]H)(H)	C[3,6,6](C[3,6]C[3,6]C[5a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[3,6,6]C[6])	C[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[3,6,6](C[3,6]C[3,6]C[5a]C[6])(C[3,6]C[3,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,2|N<3>,7|H<1>}	H(C[6]C[3,6,6]C[6])	117.7735	0.499	2	117.7735	0.249	2	117.7735	0.249	2	118.1153	0.475	3	117.7535	0.840	4	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	3:4:1:	4:3:2:3:	3:	C[6,6]-3:C[3,6]-4:H-1:	C[3,6]-4:C[6]-3:O[3]-2:C-3:	C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[3,6]C[3,6]O[3]C)(H)	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[6,6]H)(O[3]C[3,6])(CCO)	H(C[6]C[3,6]C[6,6])	C[6](C[6,6]C[5,6,6]C[6])(C[3,6]C[3,6]O[3]C)(H){7|C<4>}	C[3,6](C[3,6]C[5,6]O[3]C)(C[6]C[6,6]H)(O[3]C[3,6])(CCO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[3,6]C[6,6])	113.1930	0.000	1	113.1930	0.000	1	113.1930	0.000	1	113.1930	0.000	1	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	3:4:3:2:	3:	C[3,6]-4:C[5,6]-3:H-1:	C[6]-3:C[3]-4:C[6]-3:O[3]-2:	C[6]-3:	C[6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5,6]C[5])(H)	C[3,6](C[6]C[5,6]H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3])	H(C[6]C[3,6]C[5,6])	C[6](C[3,6]C[3]C[6]O[3])(C[5,6]C[5,6]C[5])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[3,6](C[6]C[5,6]H)(C[3]O[3]HH)(C[6]C[6]O)(O[3]C[3]){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[3,6]C[5,6])	120.2120	0.000	1	120.2120	0.000	1	120.2120	0.000	1	120.2120	0.000	1	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	3:4:4:3:	3:	C[3,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[3]-4:C[3]-4:C[6]-3:	C[6]-3:	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[6]H)(H)	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[3,6](C[6,6a]C[6,6a]C[6a])(C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H){2|H<1>,5|C<3>}	H(C[6]C[3,6]C[6])	118.1355	0.117	2	118.1355	0.014	2	118.1355	0.014	2	118.1355	0.014	2	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:2:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6,6]H)(H)	C[3,6](C[3,6]C[5,6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[3,6](C[3,6]C[5,6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[3,6]C[6])	119.0955	0.040	2	119.0955	0.002	2	119.1942	0.070	4	119.1942	0.070	4	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:2:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(H)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[3,6]C[6])	119.5850	0.000	1	119.5850	0.000	1	119.1942	0.070	4	119.1942	0.070	4	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:2:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:O[3]-2:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(H)	C[3,6](C[3,6]C[6a]C[6]O[3])(O[3]C[3,6])(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[3,6](C[3,6]C[6a]C[6]O[3])(O[3]C[3,6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[3,6]C[6])	119.0010	0.000	1	119.0010	0.000	1	119.1942	0.070	4	119.1942	0.070	4	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:2:3:2:	3:	C[3,6]-4:C[6]-3:H-1:	C[3]-4:N[6]-2:C[6]-3:H[3]-2:	C[6]-3:	C[6](C[3,6]C[3]H[3]N[6])(C[6]N[5,6]C)(H)	C[3,6](C[3]H[3]HH)(N[6]C[5,6])(C[6]C[6]H)(H[3]C[3])	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3]H[3]N[6])(C[6]N[5,6]C)(H){1|C<3>,1|N<2>,2|H<1>}	C[3,6](C[3]H[3]HH)(N[6]C[5,6])(C[6]C[6]H)(H[3]C[3]){1|C<4>,2|N<3>}	H(C[6]C[3,6]C[6])	119.9330	0.000	1	119.9330	0.000	1	119.9330	0.000	1	119.9330	0.000	1	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:3:2:1:	3:	C[3,6]-4:C[6,6]-3:H-1:	C[3,6]-4:C[6]-3:O[3]-2:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(H)	C[3,6](C[3,6]C[6a]C[6]O[3])(C[6]C[6,6]H)(O[3]C[3,6])(H)	H(C[6]C[3,6]C[6,6])	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[3,6](C[3,6]C[6a]C[6]O[3])(C[6]C[6,6]H)(O[3]C[3,6])(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[3,6]C[6,6])	119.4810	0.000	1	119.4810	0.000	1	119.4810	0.000	1	119.4810	0.000	1	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:3:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,5,6]-4:N[3,5]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,5,6]N[3,5]H)(C[6]C[6]C)(H)	C[3,6](C[3,5,6]C[5,6a]N[3,5]C[6])(N[3,5]C[3,5,6]S[5])(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,5,6]N[3,5]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[3,6](C[3,5,6]C[5,6a]N[3,5]C[6])(N[3,5]C[3,5,6]S[5])(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[6]C[3,6]C[6])	119.1560	0.000	1	119.1560	0.000	1	119.1560	0.000	1	120.0765	1.695	2	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:3:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:N[3]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]H)(H)	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[3,6](C[3,6]C[6]N[3]H)(N[3]C[3,6]N[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[3,6]C[6])	120.9970	0.000	1	120.9970	0.000	1	120.9970	0.000	1	120.0765	1.695	2	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:3:3:2:	3:	C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[6]-3:C[6]-3:O[3]-2:	C[6]-3:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]H)(H)	C[3,6](C[3]C[5]O[3]H)(C[6]C[6]C)(C[6]C[6]H)(O[3]C[3])	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[3,6](C[3]C[5]O[3]H)(C[6]C[6]C)(C[6]C[6]H)(O[3]C[3]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6])	118.9090	0.000	1	118.9090	0.000	1	118.9090	0.000	1	118.9090	0.000	1	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:3:3:4:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,5,6]-4:P[3,5]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[3,6]C[3,5,6]P[3,5]C)(C[6]C[6]C)(H)	C[3,6](C[3,5,6]N[5,6]P[3,5]C[6])(P[3,5]C[3,5,6]C[5])(C[6]C[6]H)(CH3)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,5,6]P[3,5]C)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[3,6](C[3,5,6]N[5,6]P[3,5]C[6])(P[3,5]C[3,5,6]C[5])(C[6]C[6]H)(CH3){3|C<3>,3|C<4>}	H(C[6]C[3,6]C[6])	117.8470	0.000	1	117.8470	0.000	1	117.8470	0.000	1	117.8470	0.000	1	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:2:3:	3:	C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[3]-4:O[6]-2:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6]H)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(O[6]C[6,6])(C[6]C[6]H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6]H)(H){3|C<3>,3|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]HH)(O[6]C[6,6])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[3,6]C[6])	120.1760	0.000	1	120.1760	0.000	1	120.1760	0.000	1	120.1760	0.000	1	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[3,6]H)(H)	C[3,6](C[3,5,6]C[3,5,6]C[3,5]H)(C[3,5]C[3,5,6]C[5]Si)(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[3,6]H)(H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[3,6](C[3,5,6]C[3,5,6]C[3,5]H)(C[3,5]C[3,5,6]C[5]Si)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6])	118.9730	0.198	2	118.9730	0.039	2	118.2195	1.203	4	118.2688	1.287	42	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]C)(H)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]O[5]H)(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]C)(H){1|O<2>,2|C<4>,3|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]O[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[3,6]C[6])	116.6600	0.000	1	116.6600	0.000	1	118.2195	1.203	4	118.2688	1.287	42	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(H)	C[3,6](C[3,5,6]C[3,5]C[5,6]C)(C[3,5]C[3,5,6]O[5]H)(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,5,6]C[3,5]C[5,6]C)(C[3,5]C[3,5,6]O[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[3,6]C[6])	118.2720	0.000	1	118.2720	0.000	1	118.2195	1.203	4	118.2688	1.287	42	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[3,6]C[6])	116.7840	0.000	1	116.7840	0.000	1	118.2027	1.416	27	118.2688	1.287	42	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[3,6]C[6])	117.2670	0.000	1	117.2670	0.000	1	118.2027	1.416	27	118.2688	1.287	42	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[3,6]C[6])	118.3207	1.352	12	118.1894	1.716	14	118.2027	1.416	27	118.2688	1.287	42	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H){2|H<1>,4|C<3>}	C[3,6](C[3,6,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[3,6]C[6])	117.4010	0.861	2	118.1894	1.716	14	118.2027	1.416	27	118.2688	1.287	42	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[3,6](C[3,6,6]C[3,6]C[6,6]H)(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[3,6]C[6])	118.5419	1.040	10	118.5419	1.083	10	118.2027	1.416	27	118.2688	1.287	42	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]H)(H){1|O<1>,4|C<4>}	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[3,6]C[6])	117.3510	0.000	1	117.3510	0.000	1	118.2027	1.416	27	118.2688	1.287	42	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]H)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CC)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(C[6]C[3,6]C[6])	115.9830	0.000	1	115.9830	0.000	1	118.3593	1.430	9	118.2688	1.287	42	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]H)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]H)(H){2|H<1>,3|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	H(C[6]C[3,6]C[6])	117.7503	0.544	3	117.7503	0.296	3	118.3593	1.430	9	118.2688	1.287	42	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H){2|C<3>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[3,6]C[6])	119.2670	0.000	1	119.2670	0.000	1	118.3593	1.430	9	118.2688	1.287	42	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HP)(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H){1|C<3>,1|P<4>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	H(C[6]C[3,6]C[6])	119.3305	0.016	2	119.3305	0.000	2	118.3593	1.430	9	118.2688	1.287	42	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CC)(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H){1|C<4>,3|C<3>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[3,6]C[6])	119.5180	0.000	1	119.5180	0.000	1	118.3593	1.430	9	118.2688	1.287	42	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]H)(H){1|N<3>,3|H<1>}	H(C[6]C[3,6]C[6])	118.5540	0.000	1	118.5540	0.000	1	118.3593	1.430	9	118.2688	1.287	42	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)	C[3,6](C[3]C[3,6]C[6a]C)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[3,6](C[3]C[3,6]C[6a]C)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H){2|H<1>,3|C<3>}	H(C[6]C[3,6]C[6])	118.9810	0.000	1	118.9810	0.000	1	118.8535	0.033	2	118.2688	1.287	42	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:1:	3:	C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[3,6]C[6])	118.7260	0.000	1	118.7260	0.000	1	118.8535	0.033	2	118.2688	1.287	42	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:2:	3:	C[3,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[3]-4:C[6]-3:O[3]-2:	C[6]-3:	C[6](C[3,6]C[5,6,6]C[3]O[3])(C[6]C[6]H)(H)	C[3,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[3]O[3]HH)(C[6]C[6]H)(O[3]C[3])	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[5,6,6]C[3]O[3])(C[6]C[6]H)(H){1|O<1>,2|C<4>,3|H<1>}	C[3,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[3]O[3]HH)(C[6]C[6]H)(O[3]C[3]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[3,6]C[6])	117.9720	0.000	1	117.9720	0.000	1	117.9720	0.000	1	117.9720	0.000	1	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:3:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,4,6]-4:O[3,4]-4:C[6]-3:C-3:	C[6]-3:	C[6](C[3,6]C[3,4,6]O[3,4]C)(C[6]C[4,6]H)(H)	C[3,6](C[3,4,6]C[4,4,6]O[3,4]H)(O[3,4]C[3,4,6]C[4,4]H)(C[6]C[6]H)(CC[5a]2)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,4,6]O[3,4]C)(C[6]C[4,6]H)(H){1|C<4>,1|C<5>,1|H<2>,3|H<1>}	C[3,6](C[3,4,6]C[4,4,6]O[3,4]H)(O[3,4]C[3,4,6]C[4,4]H)(C[6]C[6]H)(CC[5a]2){1|C<4>,1|H<2>,4|H<1>}	H(C[6]C[3,6]C[6])	118.7640	0.000	1	118.7640	0.000	1	118.7640	0.000	1	118.6151	0.277	23	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:3:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(C[6]C[6]H)(H)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[3,5]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[3,5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[3,6]C[6])	117.8240	0.045	2	117.8240	0.002	2	117.9690	0.064	3	118.6151	0.277	23	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:3:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,5,6]-4:C[3,5]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(C[6]C[6]H)(H)	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,5,6]C[3,5]C[6a])(C[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5]C[6])(C[3,5]C[3,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[3,6]C[6])	118.2590	0.000	1	118.2590	0.000	1	117.9690	0.064	3	118.6151	0.277	23	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:3:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,5]-4:C[3]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3,5]C[3]C[6])(C[6]C[6]C)(H)	C[3,6](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6]C[6]H)2	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,5]C[3]C[6])(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[3,6](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(C[6]C[6]H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>}	H(C[6]C[3,6]C[6])	118.2800	0.457	2	118.2800	0.209	2	118.2800	0.209	2	118.6151	0.277	23	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:3:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6,6]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3,6,6]C[3,6]C[6a])(C[6]O[6]H)(H)	C[3,6](C[3,6,6]C[3,6]C[6]O[6])(C[3,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6,6]C[3,6]C[6a])(C[6]O[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[3,6](C[3,6,6]C[3,6]C[6]O[6])(C[3,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[3,6]C[6])	119.5080	0.000	1	119.5080	0.000	1	119.5080	0.000	1	118.6151	0.277	23	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:3:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3,6,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3,6,6]C[3,6]C[6a])(C[6]C[6,6]S)(H)	C[3,6](C[3,6]C[3,6,6]C[6,6a]H)(C[3,6,6]C[3,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6,6]C[3,6]C[6a])(C[6]C[6,6]S)(H){1|C<4>,3|H<1>,4|C<3>}	C[3,6](C[3,6]C[3,6,6]C[6,6a]H)(C[3,6,6]C[3,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	H(C[6]C[3,6]C[6])	119.1890	0.000	1	119.1890	0.000	1	119.1890	0.000	1	118.6151	0.277	23	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:3:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:N-3:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]N)(C[6]C[6,6a]H)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(NOO)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]N)(C[6]C[6,6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]CH)(C[6]C[6]H)(NOO){1|H<1>,2|C<3>}	H(C[6]C[3,6]C[6])	119.5535	0.122	2	119.5535	0.015	2	119.5535	0.015	2	118.6151	0.277	23	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:3:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H)	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]C[6,6a]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[3,6](C[3,6]C[6,6a]C[3]H)(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[3,6]C[6])	118.7807	0.166	4	118.7807	0.028	4	118.6982	0.055	5	118.6151	0.277	23	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:3:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]H)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[3,6]C[6])	118.3680	0.000	1	118.3680	0.000	1	118.6982	0.055	5	118.6151	0.277	23	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:3:	3:	C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]O[6]C)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]O[6]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[3,6]C[6])	118.9180	0.000	1	118.9180	0.000	1	118.9930	0.011	2	118.6151	0.277	23	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:3:	3:	C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[3,6]-4:C[6a]-3:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]O[6]H)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]O[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[3,6]C[6])	119.0680	0.000	1	119.0680	0.000	1	118.9930	0.011	2	118.6151	0.277	23	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:3:	3:	C[3,6]-4:C[6]-3:H-1:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H)2	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H){1|O<1>,3|C<3>,3|H<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CH)(C[6]C[6]H)2{2|C<4>,3|C<3>}	H(C[6]C[3,6]C[6])	118.2725	0.135	6	118.2725	0.018	6	118.2725	0.018	6	118.6151	0.277	23	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:4:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]C)(C[6]N[6]H)(H)	C[3,6](C[3,6]C[3]2C[6])(C[3]C[3,6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]C)(C[6]N[6]H)(H){1|S<4>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]2C[6])(C[3]C[3,6]HH)(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[3,6]C[6])	118.3870	0.000	1	118.3870	0.000	1	115.5365	16.251	2	116.7337	12.425	3	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:4:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]C)(C[6]N[6]H)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]C)(C[6]N[6]H)(H){1|S<4>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(CH3){1|N<3>,3|H<1>}	H(C[6]C[3,6]C[6])	112.6860	0.000	1	112.6860	0.000	1	115.5365	16.251	2	116.7337	12.425	3	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	4:4:3:4:	3:	C[3,6]-4:C[6]-3:H-1:	C[3,6]-4:C[3]-4:C[6]-3:S-4:	C[6]-3:	C[6](C[3,6]C[3,6]C[3]S)(C[6]C[6]S)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[3,6]C[6])	C[6](C[3,6]C[3,6]C[3]S)(C[6]C[6]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[3,6]C[6])	119.1280	0.000	1	119.1280	0.000	1	119.1280	0.000	1	116.7337	12.425	3	118.4239	1.677	86	118.5194	1.797	110
762	486	951	0:SP2_SP-NON_SP3	C[6]	C[3,6]	H	4:3:1:	6:4:3:3:	3:	C[3,6]-4:C[6]-3:H-1:	Nb[3,4]-6:C[3]-4:C[6]-3:C[6]-3:	C[6]-3:	C[6](C[3,6]Nb[3,4]C[3]C[6])(C[6]C[6]H)(H)	C[3,6](Nb[3,4]C[3]N[4]2CN)(C[3]Nb[3,4]HH)(C[6]C[6]H)2	H(C[6]C[3,6]C[6])	C[6](C[3,6]Nb[3,4]C[3]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	C[3,6](Nb[3,4]C[3]N[4]2CN)(C[3]Nb[3,4]HH)(C[6]C[6]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[3,6]C[6])	118.9480	0.419	2	118.9480	0.175	2	118.9480	0.175	2	118.9480	0.175	2	118.4239	1.677	86	118.5194	1.797	110
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	3:3:2:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](N[5,6]C[5,6]N[5])(C[6]C[3,6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[3,6]H)(CH3){1|C<3>,1|C<4>,1|H<2>,1|N<2>,1|N<3>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5]){1|Cu<5>,1|C<4>,2|H<1>}	118.7860	0.000	1	118.7860	0.000	1	118.3329	0.287	16	118.2407	0.325	18	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	3:3:2:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]C)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5]){1|Ru<9>,1|C<3>,1|C<4>,1|H<1>}	117.8240	0.000	1	117.8240	0.000	1	118.3329	0.287	16	118.2407	0.325	18	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	3:3:2:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5]){1|Co<6>,1|C<3>,2|H<1>}	118.1770	0.000	1	118.3369	0.295	14	118.3329	0.287	16	118.2407	0.325	18	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	3:3:2:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5]){1|Cu<5>,1|C<3>,2|H<1>}	118.4908	0.830	5	118.3369	0.295	14	118.3329	0.287	16	118.2407	0.325	18	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	3:3:2:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5]){1|Fe<6>,1|C<3>,2|H<1>}	118.1290	0.000	1	118.3369	0.295	14	118.3329	0.287	16	118.2407	0.325	18	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	3:3:2:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5]){1|Mn<6>,1|C<3>,2|H<1>}	118.0440	0.000	1	118.3369	0.295	14	118.3329	0.287	16	118.2407	0.325	18	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	3:3:2:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5]){1|Ni<6>,1|C<3>,2|H<1>}	118.2130	0.000	1	118.3369	0.295	14	118.3329	0.287	16	118.2407	0.325	18	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	3:3:2:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5]){1|Pt<4>,1|C<3>,2|H<1>}	118.7225	0.549	2	118.3369	0.295	14	118.3329	0.287	16	118.2407	0.325	18	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	3:3:2:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5]){1|Zn<4>,1|C<3>,2|H<1>}	118.0830	0.014	2	118.3369	0.295	14	118.3329	0.287	16	118.2407	0.325	18	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	3:3:2:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5]){1|Zn<6>,1|C<3>,2|H<1>}	118.0880	0.000	1	118.3369	0.295	14	118.3329	0.287	16	118.2407	0.325	18	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	3:3:2:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:S[5]-2:	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]C[6]N[5])(C[6]C[6]C)(S[5]C[5])	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]C[6]N[5])(C[6]C[6]C)(S[5]C[5]){1|Cu<4>,1|C<3>,1|N<2>,2|H<1>}	117.5035	0.009	2	117.5035	0.000	2	117.5035	0.000	2	118.2407	0.325	18	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	3:3:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5a,6]N[5])(C[6]C[6]C)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]H)(CH3){1|N<2>,1|N<3>,3|C<3>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5a,6]N[5])(C[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	118.4820	0.000	1	118.4820	0.000	1	118.4820	0.000	1	118.4820	0.000	1	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:B[5]-4:C[6]-3:	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]C[5]C[6])(B[5]N[5]HH)(C[6]C[6]C)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]C[5]C[6])(B[5]N[5]HH)(C[6]C[6]C){2|C<3>,4|H<1>}	118.0340	0.000	1	118.0340	0.000	1	118.1535	0.029	2	116.9155	2.420	8	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:B[5]-4:C[6]-3:	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]C[5]C[6])(B[5]N[5]HO)(C[6]C[6]C)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]C[5]C[6])(B[5]N[5]HO)(C[6]C[6]C){2|C<3>,4|H<1>}	118.2730	0.000	1	118.2730	0.000	1	118.1535	0.029	2	116.9155	2.420	8	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	113.6880	0.000	1	113.6880	0.000	1	116.6230	3.986	4	116.9155	2.420	8	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]C){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	117.0860	0.000	1	117.0860	0.000	1	116.6230	3.986	4	116.9155	2.420	8	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|Si<5>,1|C<3>,1|O<2>,3|H<1>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]C){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	117.6680	0.000	1	117.8590	0.073	2	116.6230	3.986	4	116.9155	2.420	8	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|Si<5>,1|C<3>,1|O<2>,3|H<1>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]C[6]O[5])(C[5]Si[5]HH)(C[6]C[6]C){1|C<3>,1|O<3>,2|C<4>,2|H<1>}	118.0500	0.000	1	117.8590	0.073	2	116.6230	3.986	4	116.9155	2.420	8	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:Ga[5]-4:C[6]-3:	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]C[5]C[6])(Ga[5]P[5]Cl2)(C[6]C[6]C)	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(CH3){2|Cl<1>,1|H<1>,1|P<4>,2|C<3>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]C[5]C[6])(Ga[5]P[5]Cl2)(C[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	116.8530	0.000	1	116.8530	0.000	1	116.8530	0.000	1	116.9155	2.420	8	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	3:4:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-3:S[5]-4:C[6]-3:	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]C)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]C)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]C)(CH3){1|H<1>,2|O<1>,4|C<3>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	115.6720	0.000	1	115.6720	0.000	1	115.6720	0.000	1	116.9155	2.420	8	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	3:5:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6,6a]-3:Ga[5,5]-5:C[6]-3:	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]2O[5]O)(C[6]C[6]C)	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]2O[5]O)(C[6]C[6]C){1|H<1>,7|C<3>}	120.4490	0.000	1	120.4490	0.000	1	119.3510	0.355	8	119.3510	0.355	8	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	3:5:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6,6a]-3:Ga[5,5]-5:C[6]-3:	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]O[5]2Cl)(C[6]C[6]C)	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]O[5]2Cl)(C[6]C[6]C){1|H<1>,6|C<3>}	119.0810	0.000	1	119.0810	0.000	1	119.3510	0.355	8	119.3510	0.355	8	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	3:5:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6,6a]-3:Ga[5,5]-5:C[6]-3:	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]O[5]2O)(C[6]C[6]C)	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,3|O<2>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Ga[5,5]N[5,6]O[5]2O)(C[6]C[6]C){1|H<1>,6|C<3>}	119.2130	0.468	6	119.2130	0.219	6	119.3510	0.355	8	119.3510	0.355	8	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	4:3:2:	N[5,6]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-2:	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(CH3)	C(C[6]N[5,6]N[6])(H)3	N[5,6](C[5,6]C[6,6a]S[5]C)(C[6]N[6]C)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(CH3){1|S<2>,4|C<3>}	C(C[6]N[5,6]N[6])(H)3	N[5,6](C[5,6]C[6,6a]S[5]C)(C[6]N[6]C)(N[5]C[5]){1|H<1>,1|N<3>,2|C<3>}	120.4270	0.000	1	120.4270	0.000	1	120.4270	0.000	1	120.4270	0.000	1	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	4:3:3:	C[5,6]-3:N[5,6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	B[5]-4:C[5,6]-3:C[6]-3:	C[6](C[5,6]N[5,6]C[5])(N[5,6]C[5,6]B[5])(CH3)	C(C[6]C[5,6]N[5,6])(H)3	N[5,6](B[5]C[6a]C[5]Cl)(C[5,6]C[5]C[6])(C[6]C[5,6]C)	C[6](C[5,6]N[5,6]C[5])(N[5,6]C[5,6]B[5])(CH3){1|Cl<1>,1|B<4>,6|C<3>}	C(C[6]C[5,6]N[5,6])(H)3	N[5,6](B[5]C[6a]C[5]Cl)(C[5,6]C[5]C[6])(C[6]C[5,6]C){1|C<4>,1|N<3>,5|C<3>}	118.8100	0.049	3	118.8100	0.002	3	118.8100	0.002	3	120.0951	1.523	7	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	4:3:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	B[5]-4:C[5,6]-3:C[6]-3:	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](B[5]C[6a]P[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]C)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](B[5]C[6a]P[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]C){1|Ga<4>,2|C<4>,3|C<3>,3|H<1>}	120.8650	0.000	1	120.7325	0.035	2	120.7325	0.035	2	120.0951	1.523	7	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	4:3:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	B[5]-4:C[5,6]-3:C[6]-3:	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](B[5]C[6a]P[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]C)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](B[5]C[6a]P[5]Cl)(C[5,6]C[5]C[6])(C[6]C[6]C){2|C<4>,3|C<3>,4|H<1>}	120.6000	0.000	1	120.7325	0.035	2	120.7325	0.035	2	120.0951	1.523	7	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	4:3:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|H<1>,5|C<3>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C){1|Au<2>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	121.3890	0.000	1	121.3855	0.000	2	121.3855	0.000	2	120.0951	1.523	7	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	4:3:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|H<1>,5|C<3>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5]C[6a]2C[5])(C[5,6]C[5]C[6])(C[6]C[6]C){1|Au<2>,1|N<2>,2|H<1>,5|C<3>}	121.3820	0.000	1	121.3855	0.000	2	121.3855	0.000	2	120.0951	1.523	7	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	4:4:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5]C[5]CC)(C[6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(CH3){1|O<2>,3|C<3>,3|C<4>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5]C[5]CC)(C[6]C[6]C){3|H<1>,4|C<3>}	118.5880	0.000	1	118.5880	0.000	1	118.5880	0.000	1	118.5880	0.000	1	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	5:3:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	In[5,5,6,6]-5:C[5,6a]-3:C[6]-3:	C[6](N[5,6]In[5,5,6,6]C[5,6a])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](In[5,5,6,6]N[5,6]3Cl)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	C[6](N[5,6]In[5,5,6,6]C[5,6a])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,2|C<3>,3|N<3>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](In[5,5,6,6]N[5,6]3Cl)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){2|H<1>,7|C<3>}	120.6723	0.778	4	120.6723	0.605	4	120.6723	0.605	4	120.6723	0.605	4	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	5:4:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	Ga[5,6,6]-5:C[5]-4:C[6]-3:	C[6](N[5,6]Ga[5,6,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](Ga[5,6,6]N[5,6]O[6]2C)(C[5]C[5]HH)(C[6]C[6]C)	C[6](N[5,6]Ga[5,6,6]C[5])(C[6]C[6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](Ga[5,6,6]N[5,6]O[6]2C)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,3|H<1>}	121.2605	0.241	2	121.2605	0.058	2	121.2605	0.058	2	121.0959	0.367	7	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	5:4:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	In[5,6,6]-5:C[5]-4:C[6]-3:	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](In[5,6,6]N[5,6]O[6]2Cl)(C[5]C[5]HH)(C[6]C[6]C)	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](In[5,6,6]N[5,6]O[6]2Cl)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,3|H<1>}	120.9210	1.113	2	120.9210	1.239	2	120.9210	1.239	2	121.0959	0.367	7	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	5:4:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	Si[5,6]-5:C[5]-4:C[6]-3:	C[6](N[5,6]Si[5,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](Si[5,6]O[5]O[6]CC)(C[5]C[5]CH)(C[6]C[6]C)	C[6](N[5,6]Si[5,6]C[5])(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](Si[5,6]O[5]O[6]CC)(C[5]C[5]CH)(C[6]C[6]C){1|C<3>,1|H<1>,1|O<1>}	121.1027	0.627	3	121.1027	0.393	3	121.1027	0.393	3	121.0959	0.367	7	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	6:3:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6]C[6]H)(CH3){1|C<4>,1|S<2>,3|C<3>,3|O<2>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){2|H<1>,7|C<3>}	123.2670	0.528	3	123.2670	0.278	3	123.2670	0.278	3	123.2670	0.278	3	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	6:4:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	Ga[3x5,6,6]-6:C[5]-4:C[6]-3:	C[6](N[5,6]Ga[3x5,6,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](Ga[3x5,6,6]N[5,5]2N[5,6]O[6]2)(C[5]C[5]HH)(C[6]C[6]C)	C[6](N[5,6]Ga[3x5,6,6]C[5])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>,2|N<4>,2|O<2>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](Ga[3x5,6,6]N[5,5]2N[5,6]O[6]2)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,4|C<4>,5|H<1>}	118.5020	0.000	1	118.5020	0.000	1	118.5020	0.000	1	120.4194	1.390	8	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	6:4:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	Ga[5,6,6]-6:C[5]-4:C[6]-3:	C[6](N[5,6]Ga[5,6,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](Ga[5,6,6]N[5,6]O[6]2ClLi)(C[5]C[5]HH)(C[6]C[6]C)	C[6](N[5,6]Ga[5,6,6]C[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|Li<6>,1|N<3>,2|C<4>,2|H<1>,2|O<3>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](Ga[5,6,6]N[5,6]O[6]2ClLi)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,3|H<1>}	121.2280	1.162	2	121.2280	1.351	2	121.2280	1.351	2	120.4194	1.390	8	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	6:4:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	In[5,6,6]-6:C[5]-4:C[6]-3:	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](In[5,6,6]N[5,6]O[5]O[6]2Cl)(C[5]C[5]HH)(C[6]C[6]C)	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,1|O<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](In[5,6,6]N[5,6]O[5]O[6]2Cl)(C[5]C[5]HH)(C[6]C[6]C){2|C<4>,3|C<3>,3|H<1>}	120.1940	0.892	2	120.1940	0.796	2	120.5817	1.056	4	120.4194	1.390	8	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	6:4:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	In[5,6,6]-6:C[5]-4:C[6]-3:	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](In[5,6,6]N[5,6]O[6]2ClO)(C[5]C[5]HH)(C[6]C[6]C)	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>,3|O<2>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](In[5,6,6]N[5,6]O[6]2ClO)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,3|H<1>}	120.9695	1.330	2	120.9695	1.769	2	120.5817	1.056	4	120.4194	1.390	8	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	6:4:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	Si[5,6,6]-6:C[5]-4:C[6]-3:	C[6](N[5,6]Si[5,6,6]C[5])(C[6]C[6]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[5]C[5]HH)(C[6]C[6]C)	C[6](N[5,6]Si[5,6,6]C[5])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>,2|N<2>,2|O<2>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,3|H<1>}	120.0700	0.000	1	120.0700	0.000	1	120.0700	0.000	1	120.4194	1.390	8	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:3:1:1:	3:4:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[5,6]-3:S[5]-4:C[6]-3:	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]H)(CCHH)	C(C[6]N[5,6]C[6])(COO)(H)2	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]C)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]H)(CCHH){1|H<1>,2|O<1>,4|C<3>}	C(C[6]N[5,6]C[6])(COO)(H)2	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]C){1|H<1>,2|C<3>,2|C<4>}	116.3360	0.000	1	116.3360	0.000	1	116.3360	0.000	1	115.4775	1.474	2	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:3:1:1:	3:4:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:H-1:	C[5,6]-3:Ga[5]-4:C[6]-3:	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(CHHN)	C(C[6]N[5,6]C[6])(NC[6]C)(H)2	N[5,6](C[5,6]C[5]C[6])(Ga[5]O[5]OO)(C[6]C[6]C)	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>,3|O<2>}	C(C[6]N[5,6]C[6])(NC[6]C)(H)2	N[5,6](C[5,6]C[5]C[6])(Ga[5]O[5]OO)(C[6]C[6]C){1|C<3>,1|O<1>,2|H<1>}	114.6190	0.000	1	114.6190	0.000	1	114.6190	0.000	1	115.4775	1.474	2	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:4:1:1:	3:3:2:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CCHH)	C(C[6]N[5,6]C[6])(CCCH)(H)2	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[6]N[5,6]C[6])(CCCH)(H)2	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5]){1|Pt<4>,1|C<3>,2|H<1>}	119.2730	1.066	2	119.2730	1.137	2	118.9307	0.920	3	118.9307	0.920	3	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:4:1:1:	3:3:2:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[5,6]-3:C[6]-3:N[5]-2:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CCHH)	C(C[6]N[5,6]C[6])(CH3)(H)2	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(C[6]N[5,6]C[6])(CH3)(H)2	N[5,6](C[5,6]N[5]N[6])(C[6]C[6]C)(N[5]C[5]){1|Ru<9>,1|C<3>,2|H<1>}	118.2460	0.000	1	118.2460	0.000	1	118.9307	0.920	3	118.9307	0.920	3	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:4:1:1:	3:3:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6,6a]C)(CCHH)	C(C[6]N[5,6]C[6])(CCHH)(H)2	N[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]H)(C[6]C[6]C)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6,6a]C)(CCHH){1|H<1>,4|C<3>}	C(C[6]N[5,6]C[6])(CCHH)(H)2	N[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]H)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	113.8640	0.000	1	113.8640	0.000	1	113.8640	0.000	1	113.8640	0.000	1	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:3:4:	3:4:3:1:	3:3:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:C-4:C-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6]-3:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(CCCH)	C(C[6]N[5,6]C[6])(CC[6a]HH)(COO)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]C)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(CCCH){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C(C[6]N[5,6]C[6])(CC[6a]HH)(COO)(H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	117.2490	0.000	1	117.2490	0.000	1	117.2490	0.000	1	117.2490	0.000	1	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:4:4:	3:1:1:1:	5:3:2:	N[5,6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	Si[5,5,6]-5:C[6]-3:N[5]-2:	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5])	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|O<2>,3|C<4>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	123.5320	0.000	1	124.6573	1.828	3	124.6573	1.828	3	124.6573	1.828	3	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:4:4:	3:1:1:1:	5:3:2:	N[5,6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	Si[5,5,6]-5:C[6]-3:N[5]-2:	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5])	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|O<2>,3|C<4>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	125.2200	1.325	2	124.6573	1.828	3	124.6573	1.828	3	124.6573	1.828	3	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:4:4:	3:1:1:1:	5:4:3:	N[5,6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	In[5,6,6]-5:C[5]-4:C[6]-3:	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]HH)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](In[5,6,6]N[5,6]O[6]2C)(C[5]C[5]HH)(C[6]C[6]C)	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]HH)(CH3){1|N<3>,2|H<1>,2|O<2>,4|C<4>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](In[5,6,6]N[5,6]O[6]2C)(C[5]C[5]HH)(C[6]C[6]C){1|C<3>,2|C<4>,4|H<1>}	125.2125	1.112	2	125.2125	1.237	2	125.1172	0.456	4	125.1172	0.456	4	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:4:4:	3:1:1:1:	5:4:3:	N[5,6]-3:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	In[5,6,6]-5:C[5]-4:C[6]-3:	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]HH)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](In[5,6,6]N[5,6]O[6]2Cl)(C[5]C[5]HH)(C[6]C[6]C)	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]HH)(CH3){1|Cl<1>,1|N<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](In[5,6,6]N[5,6]O[6]2Cl)(C[5]C[5]HH)(C[6]C[6]C){1|C<3>,2|C<4>,4|H<1>}	125.0220	0.310	2	125.0220	0.096	2	125.1172	0.456	4	125.1172	0.456	4	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP2_SP3	C[6]	C	N[5,6]	3:4:4:	3:4:1:1:	5:3:2:	N[5,6]-3:C[6]-4:C-4:	C[6]-3:C-4:H-1:H-1:	Si[5,5,6]-5:C[6]-3:N[5]-2:	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]CH)(CCHH)	C(C[6]N[5,6]C[6])(CCHH)(H)2	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5])	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]CH)(CCHH){1|C<3>,1|N<3>,2|O<2>,3|C<4>}	C(C[6]N[5,6]C[6])(CCHH)(H)2	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]C)(N[5]C[5]){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	122.4730	0.000	1	122.4730	0.000	1	122.4730	0.000	1	122.4730	0.000	1	119.7027	6.230	81	119.7027	6.230	81
762	490	542	0:SP2_SP3_SP3	C[6]	C	N[5,6]	3:3:4:	3:1:1:1:	4:4:3:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(CH3)	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5]C[5]CC)(C[6]C[6]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)(CH3){1|O<2>,3|C<3>,3|C<4>}	C(C[6]N[5,6]C[6])(H)3	N[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5]C[5]CC)(C[6]C[6]C){3|H<1>,4|C<3>}	118.2510	0.000	1	118.2510	0.000	1	118.2510	0.000	1	118.2510	0.000	1	118.2510	0.000	1	118.2510	0.000	1
762	490	606	0:SP2_SP3_SP3	C[6]	C	Ge[5,6]	4:3:4:	3:4:1:1:	3:3:3:2:	Ge[5,6]-4:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6]-3:C[6]-3:O[5]-2:	C[6](Ge[5,6]C[5,6a]C[6]O[5])(C[6]Ge[6]C)(CCHH)	C(C[6]Ge[5,6]C[6])(CH3)(H)2	Ge[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)2(O[5]C[5])	C[6](Ge[5,6]C[5,6a]C[6]O[5])(C[6]Ge[6]C)(CCHH){1|O<2>,2|C<4>,4|C<3>}	C(C[6]Ge[5,6]C[6])(CH3)(H)2	Ge[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)2(O[5]C[5]){1|Ge<4>,2|Si<4>,2|C<3>,3|C<4>}	119.0615	0.750	2	119.0615	0.563	2	119.0615	0.563	2	119.0615	0.563	2	119.0615	0.563	2	119.0615	0.563	2
762	490	618	0:SP2_SP2_SP3	C[6]	C	B[6]	3:3:4:	3:1:1:1:	3:3:3:	B[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6](B[6]C[5]C[6])(C[6]C[6]C)(CH3)	C(C[6]B[6]C[6])(H)3	B[6](C[5]C[5,6]N[5])(C[6]C[6]C)2	C[6](B[6]C[5]C[6])(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C(C[6]B[6]C[6])(H)3	B[6](C[5]C[5,6]N[5])(C[6]C[6]C)2{1|C<3>,7|C<4>}	125.1635	0.527	2	125.1635	0.278	2	125.1635	0.278	2	125.1635	0.278	2	125.1635	0.278	2	125.1635	0.278	2
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:2:4:	3:1:1:1:	3:3:	C[6]-2:O[6]-2:C-4:	C[6]-3:C-1:C-1:C-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6])(O[6]C[6])(CC3)	C(C[6]C[6]O[6])(C)3	O[6](C[6]C[6]C)2	C[6](C[6]C[6])(O[6]C[6])(CC3){1|C<4>,2|C<2>}	C(C[6]C[6]O[6])(C)3	O[6](C[6]C[6]C)2{1|C<3>}	112.4265	1.037	2	112.4265	1.076	2	112.4265	1.076	2	112.4713	0.544	3	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:2:4:	3:1:1:1:	3:3:	C[6]-2:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6,6])(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6,6]O)(C[6]C[6]C)	C[6](C[6]C[6,6])(O[6]C[6])(CH3){1|C<3>,2|O<2>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6,6]O)(C[6]C[6]C){2|C<3>}	112.5610	0.000	1	112.5610	0.000	1	112.5610	0.000	1	112.4713	0.544	3	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:2:4:	3:1:1:1:	4:3:	N[6]-2:O[6]-2:C-4:	C[6]-3:Cl-1:Cl-1:Cl-1:	C[6]-4:C[6]-3:	C[6](N[6]C[6])(O[6]C[6])(CCl3)	C(C[6]N[6]O[6])(Cl)3	O[6](C[6]C[6]HH)(C[6]N[6]C)	C[6](N[6]C[6])(O[6]C[6])(CCl3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]N[6]O[6])(Cl)3	O[6](C[6]C[6]HH)(C[6]N[6]C){1|C<4>,2|H<1>}	109.1660	0.682	2	109.1660	0.465	2	109.0893	0.250	3	112.1395	5.848	13	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:2:4:	3:1:1:1:	4:3:	N[6]-2:O[6]-2:C-4:	C[6]-3:Cl-1:Cl-1:Cl-1:	C[6]-4:C[6]-3:	C[6](N[6]C[6])(O[6]C[6])(CCl3)	C(C[6]N[6]O[6])(Cl)3	O[6](C[6]C[6a]C[6]H)(C[6]N[6]C)	C[6](N[6]C[6])(O[6]C[6])(CCl3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]N[6]O[6])(Cl)3	O[6](C[6]C[6a]C[6]H)(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	108.9360	0.000	1	108.9360	0.000	1	109.0893	0.250	3	112.1395	5.848	13	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:2:4:	3:1:1:1:	4:3:	N[6]-2:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	B[6]-4:C[6]-3:	C[6](N[6]C[6,6])(O[6]B[6])(CH3)	C(C[6]N[6]O[6])(H)3	O[6](B[6]N[6,6]FF)(C[6]N[6]C)	C[6](N[6]C[6,6])(O[6]B[6])(CH3){1|C<3>,1|N<3>,2|F<1>}	C(C[6]N[6]O[6])(H)3	O[6](B[6]N[6,6]FF)(C[6]N[6]C){2|C<3>}	114.4706	0.081	5	114.4706	0.006	5	114.4706	0.006	5	112.1395	5.848	13	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:2:4:	3:1:1:1:	4:3:	N[6]-2:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:	C[6](N[6]C[6,6a])(O[6]C[6,6])(CH3)	C(C[6]N[6]O[6])(H)3	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]N[6]C)	C[6](N[6]C[6,6a])(O[6]C[6,6])(CH3){1|O<2>,3|C<3>}	C(C[6]N[6]O[6])(H)3	O[6](C[6,6]C[6,6a]C[6]O[6])(C[6]N[6]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	111.4200	0.000	1	111.4200	0.000	1	111.4200	0.000	1	112.1395	5.848	13	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:2:4:	3:1:1:1:	4:3:	N[6]-2:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](N[6]C[6,6])(O[6]C[6])(CH3)	C(C[6]N[6]O[6])(H)3	O[6](C[6]C[6,6]CH)(C[6]N[6]C)	C[6](N[6]C[6,6])(O[6]C[6])(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]N[6]O[6])(H)3	O[6](C[6]C[6,6]CH)(C[6]N[6]C){1|C<4>,1|H<1>,1|N<2>}	110.5300	0.000	1	110.5300	0.000	1	110.6640	0.276	3	112.1395	5.848	13	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:2:4:	3:1:1:1:	4:3:	N[6]-2:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](N[6]C[6,6])(O[6]C[6])(CH3)	C(C[6]N[6]O[6])(H)3	O[6](C[6]C[6,6]C[5]H)(C[6]N[6]C)	C[6](N[6]C[6,6])(O[6]C[6])(CH3){2|H<1>,3|C<4>}	C(C[6]N[6]O[6])(H)3	O[6](C[6]C[6,6]C[5]H)(C[6]N[6]C){1|C<4>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	110.2190	0.000	1	110.2190	0.000	1	110.6640	0.276	3	112.1395	5.848	13	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:2:4:	3:1:1:1:	4:3:	N[6]-2:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](N[6]C[6,6a])(O[6]C[6])(CH3)	C(C[6]N[6]O[6])(H)3	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]C)	C[6](N[6]C[6,6a])(O[6]C[6])(CH3){1|C<4>,3|C<3>}	C(C[6]N[6]O[6])(H)3	O[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]C){4|C<3>}	111.2430	0.000	1	111.2430	0.000	1	110.6640	0.276	3	112.1395	5.848	13	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:2:4:	3:1:1:1:	4:3:	O[6]-2:N[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	Si[6]-4:C[6]-3:	C[6](O[6]Si[6])(N[6]N[6])(CF3)	C(C[6]N[6]O[6])(F)3	O[6](Si[6]C[6]ClC)(C[6]N[6]C)	C[6](O[6]Si[6])(N[6]N[6])(CF3){1|Cl<1>,4|C<4>}	C(C[6]N[6]O[6])(F)3	O[6](Si[6]C[6]ClC)(C[6]N[6]C){1|N<4>,2|H<1>}	114.7800	0.000	1	114.7800	0.000	1	114.7800	0.000	1	112.1395	5.848	13	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:2:4:	3:1:1:1:	5:3:	O[6]-2:N[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	Si[6,6]-5:C[6]-3:	C[6](O[6]Si[6,6])(N[6]N[6])(CF3)	C(C[6]N[6]O[6])(F)3	O[6](Si[6,6]C[6]2O[6]Cl)(C[6]N[6]C)	C[6](O[6]Si[6,6])(N[6]N[6])(CF3){1|Cl<1>,1|O<2>,4|C<4>}	C(C[6]N[6]O[6])(F)3	O[6](Si[6,6]C[6]2O[6]Cl)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	112.7610	0.000	1	112.7610	0.000	1	112.4342	0.943	5	112.4342	0.943	5	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:2:4:	3:1:1:1:	5:3:	O[6]-2:N[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	Si[6,6]-5:C[6]-3:	C[6](O[6]Si[6,6])(N[6]N[6])(CF3)	C(C[6]N[6]O[6])(F)3	O[6](Si[6,6]C[6]2O[6]O)(C[6]N[6]C)	C[6](O[6]Si[6,6])(N[6]N[6])(CF3){2|O<2>,4|C<4>}	C(C[6]N[6]O[6])(F)3	O[6](Si[6,6]C[6]2O[6]O)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	112.3525	1.101	4	112.3525	1.213	4	112.4342	0.943	5	112.4342	0.943	5	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:2:4:	3:1:1:1:	6:3:	O[6]-2:N[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	Si[6,6]-6:C[6]-3:	C[6](O[6]Si[6,6])(N[6]N[6])(CF3)	C(C[6]N[6]O[6])(F)3	O[6](Si[6,6]C[6]2O[6]Cl2)(C[6]N[6]C)	C[6](O[6]Si[6,6])(N[6]N[6])(CF3){2|Cl<1>,1|O<2>,4|C<4>}	C(C[6]N[6]O[6])(F)3	O[6](Si[6,6]C[6]2O[6]Cl2)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	114.1190	0.064	2	114.1190	0.004	2	114.1190	0.004	2	114.1190	0.004	2	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:2:4:	3:3:1:1:	4:3:	O[6]-2:O[6]-2:C-4:	C[6a]-3:C[6]-3:H-1:H-1:	B[6,6]-4:C[6]-3:	C[6](O[6]B[6,6])2(CC[6a]HH)	C(C[6a]C[6a]2)(C[6]O[6]2)(H)2	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]O[6]C)	C[6](O[6]B[6,6])2(CC[6a]HH){2|C<3>,3|O<2>}	C(C[6a]C[6a]2)(C[6]O[6]2)(H)2	O[6](B[6,6]O[6,6]C[6a]O[6])(C[6]O[6]C){1|B<4>,3|C<3>}	118.1453	0.387	8	118.1453	0.150	8	118.1453	0.150	8	118.1453	0.150	8	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:2:4:	3:4:3:1:	4:3:	N[6]-2:O[6]-2:C-4:	C[6]-3:C-4:N-3:H-1:	C[6]-4:C[6]-3:	C[6](N[6]C[6])(O[6]C[6])(CCHN)	C(C[6]N[6]O[6])(CCHH)(NCH)(H)	O[6](C[6]C[6]CH)(C[6]N[6]C)	C[6](N[6]C[6])(O[6]C[6])(CCHN){1|C<3>,2|C<4>,2|H<1>}	C(C[6]N[6]O[6])(CCHH)(NCH)(H)	O[6](C[6]C[6]CH)(C[6]N[6]C){1|C<4>,2|H<1>}	111.8300	0.000	1	111.8300	0.000	1	111.8300	0.000	1	111.8300	0.000	1	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:2:4:	3:4:4:1:	4:3:	N[6]-2:O[6]-2:C-4:	C[6]-3:C-4:C-4:Br-1:	C[6]-4:C[6]-3:	C[6](N[6]C[6,6a])(O[6]C[6])(CBrCC)	C(C[6]N[6]O[6])(CHHN)(CH3)(Br)	O[6](C[6]C[6,6a]C[6a]C[3])(C[6]N[6]C)	C[6](N[6]C[6,6a])(O[6]C[6])(CBrCC){1|C<4>,3|C<3>}	C(C[6]N[6]O[6])(CHHN)(CH3)(Br)	O[6](C[6]C[6,6a]C[6a]C[3])(C[6]N[6]C){1|Br<1>,2|C<4>,4|C<3>}	112.4660	0.000	1	112.4660	0.000	1	112.4660	0.000	1	110.6920	6.294	2	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:2:4:	3:4:4:1:	4:3:	N[6]-2:O[6]-2:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](N[6]C[6,6])(O[6]C[6])(CCCH)	C(C[6]N[6]O[6])(CH3)2(H)	O[6](C[6]C[6,6]HH)(C[6]N[6]C)	C[6](N[6]C[6,6])(O[6]C[6])(CCCH){2|C<4>,3|H<1>}	C(C[6]N[6]O[6])(CH3)2(H)	O[6](C[6]C[6,6]HH)(C[6]N[6]C){3|C<4>}	108.9180	0.000	1	108.9180	0.000	1	108.9180	0.000	1	110.6920	6.294	2	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:2:4:	3:4:4:3:	4:3:	N[6]-2:O[6]-2:C-4:	C[6]-3:C-4:C-4:N-3:	C[6]-4:C[6]-3:	C[6](N[6]C[6])(O[6]C[6])(CCCN)	C(C[6]N[6]O[6])(CH3)2(NCH)	O[6](C[6]C[6]HH)(C[6]N[6]C)	C[6](N[6]C[6])(O[6]C[6])(CCCN){1|C<4>,4|H<1>}	C(C[6]N[6]O[6])(CH3)2(NCH)	O[6](C[6]C[6]HH)(C[6]N[6]C){1|C<4>,2|H<1>}	110.2300	0.000	1	110.2300	0.000	1	110.2300	0.000	1	110.2300	0.000	1	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:2:4:	3:4:4:4:	5:3:	O[6]-2:N[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	Si[6,6]-5:C[6]-3:	C[6](O[6]Si[6,6])(N[6]N[6])(CC3)	C(C[6]N[6]O[6])(CH3)3	O[6](Si[6,6]C[6]2O[6]Cl)(C[6]N[6]C)	C[6](O[6]Si[6,6])(N[6]N[6])(CC3){1|Cl<1>,1|O<2>,4|C<4>}	C(C[6]N[6]O[6])(CH3)3	O[6](Si[6,6]C[6]2O[6]Cl)(C[6]N[6]C){1|C<3>,2|N<4>,4|H<1>}	114.6290	0.000	1	114.6290	0.000	1	114.6290	0.000	1	114.6290	0.000	1	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	3:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[6](O[6]C[5a,6])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|C<4>,1|N<2>,3|C<3>}	107.2985	0.374	4	107.2985	0.140	4	107.2985	0.140	4	109.0022	1.829	26	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	3:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3){1|C<2>,1|C<3>,1|O<2>}	C(C[6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6])(C[6]C[6]C){1|H<1>,3|C<3>}	112.2490	0.000	1	112.2490	0.000	1	112.2490	0.000	1	109.0022	1.829	26	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	3:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	108.7698	0.118	5	108.5479	0.099	13	109.1721	1.127	21	109.0022	1.829	26	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	3:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	108.3270	0.000	1	108.5479	0.099	13	109.1721	1.127	21	109.0022	1.829	26	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	3:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	108.4210	0.348	7	108.5479	0.099	13	109.1721	1.127	21	109.0022	1.829	26	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	3:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C){2|C<4>,3|C<3>}	108.0270	0.000	1	108.0270	0.000	1	109.1721	1.127	21	109.0022	1.829	26	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	3:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3){3|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,3|C<3>}	110.4110	0.000	1	110.4110	0.000	1	109.1721	1.127	21	109.0022	1.829	26	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	3:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,1|O<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]C){1|H<1>,3|C<3>}	110.8530	0.651	4	110.5088	0.544	6	109.1721	1.127	21	109.0022	1.829	26	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	3:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]C)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3){1|C<3>,2|O<2>}	C(C[6]C[6]O[6])(H)3	O[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]C){1|H<1>,3|C<3>}	109.8205	0.168	2	110.5088	0.544	6	109.1721	1.127	21	109.0022	1.829	26	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	4:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	B[6,6]-4:C[6]-3:	C[6](O[6]B[6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](B[6,6]C[6]2O[6])(C[6]C[6]C)	C[6](O[6]B[6,6])(C[6]C[6]H)(CH3){1|O<2>,3|C<4>}	C(C[6]C[6]O[6])(H)3	O[6](B[6,6]C[6]2O[6])(C[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	116.1732	0.407	4	116.1732	0.165	4	116.1732	0.165	4	115.2912	4.014	5	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	4:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]C)	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	C(C[6]C[6]O[6])(H)3	O[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	111.7630	0.000	1	111.7630	0.000	1	111.7630	0.000	1	115.2912	4.014	5	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	5:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	Ga[3x6]-5:C[6]-3:	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](Ga[3x6]N[6,6]2O[6]Cl)(C[6]C[6]C)	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|N<3>}	C(C[6]C[6]O[6])(H)3	O[6](Ga[3x6]N[6,6]2O[6]Cl)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	114.2875	1.972	2	114.2875	3.889	2	114.2875	3.889	2	114.2861	1.498	14	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	5:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	Ga[6,6]-5:C[6]-3:	C[6](O[6]Ga[6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](Ga[6,6]N[6]2O[6]Cl)(C[6]C[6]C)	C[6](O[6]Ga[6,6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|N<3>}	C(C[6]C[6]O[6])(H)3	O[6](Ga[6,6]N[6]2O[6]Cl)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	113.2193	0.186	3	113.2193	0.035	3	113.2193	0.035	3	114.2861	1.498	14	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	5:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	In[3x6]-5:C[6]-3:	C[6](O[6]In[3x6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](In[3x6]N[6,6]2O[6]Cl)(C[6]C[6]C)	C[6](O[6]In[3x6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|N<3>}	C(C[6]C[6]O[6])(H)3	O[6](In[3x6]N[6,6]2O[6]Cl)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	114.1282	1.019	4	114.1282	1.039	4	114.1282	1.039	4	114.2861	1.498	14	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	5:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	In[5,6,6]-5:C[6]-3:	C[6](O[6]In[5,6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](In[5,6,6]N[5,6]2O[6]Cl)(C[6]C[6]C)	C[6](O[6]In[5,6,6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|N<3>}	C(C[6]C[6]O[6])(H)3	O[6](In[5,6,6]N[5,6]2O[6]Cl)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	113.7340	0.095	2	113.7340	0.009	2	113.7340	0.009	2	114.2861	1.498	14	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	5:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	Si[5,6]-5:C[6]-3:	C[6](O[6]Si[5,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](Si[5,6]N[5,6]O[5]CC)(C[6]C[6]C)	C[6](O[6]Si[5,6])(C[6]C[6]H)(CH3){1|N<3>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6])(H)3	O[6](Si[5,6]N[5,6]O[5]CC)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	115.9303	0.276	3	115.9303	0.076	3	115.9303	0.076	3	114.2861	1.498	14	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	6:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	Ga[3x5,6,6]-6:C[6]-3:	C[6](O[6]Ga[3x5,6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](Ga[3x5,6,6]N[5,5]2N[5,6]2O[6])(C[6]C[6]C)	C[6](O[6]Ga[3x5,6,6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|N<3>,2|N<4>}	C(C[6]C[6]O[6])(H)3	O[6](Ga[3x5,6,6]N[5,5]2N[5,6]2O[6])(C[6]C[6]C){3|C<3>,3|H<1>,6|C<4>}	113.3060	0.000	1	113.3060	0.000	1	113.3060	0.000	1	114.6586	0.904	36	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	6:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	Ga[3x6]-6:C[6]-3:	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](Ga[3x6]N[6]3O[6]2)(C[6]C[6]C)	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3){1|C<4>,2|O<2>,3|N<3>}	C(C[6]C[6]O[6])(H)3	O[6](Ga[3x6]N[6]3O[6]2)(C[6]C[6]C){1|H<1>,3|C<4>,5|C<3>}	114.4250	0.485	3	114.4250	0.236	3	115.1463	0.848	19	114.6586	0.904	36	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	6:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	Ga[3x6]-6:C[6]-3:	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](Ga[3x6]O[6]5)(C[6]C[6]C)	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3){1|C<4>,5|O<2>}	C(C[6]C[6]O[6])(H)3	O[6](Ga[3x6]O[6]5)(C[6]C[6]C){1|H<1>,5|C<3>}	115.2816	0.929	16	115.2816	0.863	16	115.1463	0.848	19	114.6586	0.904	36	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	6:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	In[5,6,6]-6:C[6]-3:	C[6](O[6]In[5,6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](In[5,6,6]N[5,6]2O[5]O[6]Cl)(C[6]C[6]C)	C[6](O[6]In[5,6,6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,1|O<3>,2|N<3>}	C(C[6]C[6]O[6])(H)3	O[6](In[5,6,6]N[5,6]2O[5]O[6]Cl)(C[6]C[6]C){1|H<1>,3|C<3>,4|C<4>}	113.4485	0.101	2	113.4485	0.010	2	113.4313	0.004	4	114.6586	0.904	36	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	6:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	In[5,6,6]-6:C[6]-3:	C[6](O[6]In[5,6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](In[5,6,6]N[5,6]2O[6]ClO)(C[6]C[6]C)	C[6](O[6]In[5,6,6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,2|N<3>,2|O<2>}	C(C[6]C[6]O[6])(H)3	O[6](In[5,6,6]N[5,6]2O[6]ClO)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	113.4140	0.031	2	113.4140	0.001	2	113.4313	0.004	4	114.6586	0.904	36	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	6:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	Si[5,6,6]-6:C[6]-3:	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6]C[6]C)	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|N<2>,2|N<3>}	C(C[6]C[6]O[6])(H)3	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	114.4080	0.000	1	114.4080	0.000	1	114.7083	0.234	7	114.6586	0.904	36	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	6:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	Si[5,6,6]-6:C[6]-3:	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|O<2>}	C(C[6]C[6]O[6])(H)3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	114.6070	0.391	5	114.7583	0.260	6	114.7083	0.234	7	114.6586	0.904	36	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	6:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	Si[5,6,6]-6:C[6]-3:	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3){1|N<3>,1|S<2>,2|C<3>,2|O<2>}	C(C[6]C[6]O[6])(H)3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	115.5150	0.000	1	114.7583	0.260	6	114.7083	0.234	7	114.6586	0.904	36	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	6:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	Si[6,6]-6:C[6]-3:	C[6](O[6]Si[6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C)	C[6](O[6]Si[6,6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|N<2>,2|N<3>}	C(C[6]C[6]O[6])(H)3	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	113.9003	0.354	3	113.9882	0.077	5	113.9882	0.077	5	114.6586	0.904	36	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	6:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	Si[6,6]-6:C[6]-3:	C[6](O[6]Si[6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C)	C[6](O[6]Si[6,6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|N<2>,2|N<3>}	C(C[6]C[6]O[6])(H)3	O[6](Si[6,6]N[6]2O[6]NN)(C[6]C[6]C){1|H<1>,5|C<3>}	114.1200	0.006	2	113.9882	0.077	5	113.9882	0.077	5	114.6586	0.904	36	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:1:1:1:	9:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	Nb[6x3,6,6]-9:C[6]-3:	C[6](O[6]Nb[6x3,6,6])(C[6]C[6]H)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](Nb[6x3,6,6]Nb[6x3,6,6]S[3x3]4O[6]3)(C[6]C[6]C)	C[6](O[6]Nb[6x3,6,6])(C[6]C[6]H)(CH3){1|Nb<9>,1|C<4>,3|O<2>,4|S<3>}	C(C[6]C[6]O[6])(H)3	O[6](Nb[6x3,6,6]Nb[6x3,6,6]S[3x3]4O[6]3)(C[6]C[6]C){1|H<1>,3|C<3>,4|O<2>}	116.5665	0.970	4	116.5665	0.940	4	116.5665	0.940	4	116.5665	0.940	4	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:3:1:1:	3:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[5,6]-3:C[6]-3:	C[6](O[6]C[5,6])(C[6]C[6]H)(CCHH)	C(C[6]C[6]O[6])(CC[6a]O)(H)2	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)	C[6](O[6]C[5,6])(C[6]C[6]H)(CCHH){1|H<1>,3|C<3>}	C(C[6]C[6]O[6])(CC[6a]O)(H)2	O[6](C[5,6]C[5,6]C[5])(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	109.8550	0.000	1	109.8550	0.000	1	109.8550	0.000	1	109.5110	0.237	2	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:3:4:	3:3:1:1:	3:3:	O[6]-2:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[5a,6]-3:C[6]-3:	C[6](O[6]C[5a,6])(C[6]C[6]H)(CCHH)	C(C[6]C[6]O[6])(COO)(H)2	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[6](O[6]C[5a,6])(C[6]C[6]H)(CCHH){1|N<3>,3|C<3>}	C(C[6]C[6]O[6])(COO)(H)2	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|H<1>,2|C<3>,2|C<4>}	109.1670	0.000	1	109.1670	0.000	1	109.1670	0.000	1	109.5110	0.237	2	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	2:4:4:	3:1:1:1:	6:3:	O[6]-2:C[6]-4:C-4:	C[6]-3:H-1:H-1:H-1:	Ga[3x6]-6:C[6]-3:	C[6](O[6]Ga[3x6])(C[6]C[6]HH)(CH3)	C(C[6]C[6]O[6])(H)3	O[6](Ga[3x6]O[6]5)(C[6]C[6]C)	C[6](O[6]Ga[3x6])(C[6]C[6]HH)(CH3){1|C<4>,5|O<2>}	C(C[6]C[6]O[6])(H)3	O[6](Ga[3x6]O[6]5)(C[6]C[6]C){2|H<1>,5|C<3>}	116.1040	0.451	2	116.1040	0.204	2	116.1040	0.204	2	116.1040	0.204	2	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[5,6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(CH3)	C(C[6]C[5,6]O[6])(H)3	O[6](C[6]C[5,6]C)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(CH3){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[5,6]O[6])(H)3	O[6](C[6]C[5,6]C)(C[6]C[6]O){2|C<4>,2|H<1>}	111.0115	0.257	2	111.0115	0.066	2	112.4987	1.241	7	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[5,6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6]O[5])(O[6]C[6])(CH3)	C(C[6]C[5,6]O[6])(H)3	O[6](C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(O[6]C[6])(CH3){1|Ga<5>,1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[5,6]O[6])(H)3	O[6](C[6]C[5,6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	113.1855	0.846	2	113.0936	0.297	5	112.4987	1.241	7	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[5,6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6]O[5])(O[6]C[6])(CH3)	C(C[6]C[5,6]O[6])(H)3	O[6](C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(O[6]C[6])(CH3){1|Ga<6>,1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[5,6]O[6])(H)3	O[6](C[6]C[5,6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	113.0323	0.472	3	113.0936	0.297	5	112.4987	1.241	7	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:Cl-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CClHH)	C(C[6]C[6]O[6])(Cl)(H)2	O[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6]C)(O[6]C[6])(CClHH){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6])(Cl)(H)2	O[6](C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>}	108.0830	0.000	1	108.0830	0.000	1	108.0830	0.000	1	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CF3)	C(C[6]C[6]O[6])(F)3	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(CF3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6])(F)3	O[6](C[6]C[6]C)(C[6]C[6]O){1|H<1>,3|C<4>}	106.9720	0.000	1	106.9720	0.000	1	109.8451	4.506	10	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(CF3)	C(C[6]C[6]O[6])(F)3	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(CF3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6])(F)3	O[6](C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	110.7993	2.149	6	110.1643	3.923	9	109.8451	4.506	10	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(CF3)	C(C[6]C[6]O[6])(F)3	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(CF3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6])(F)3	O[6](C[6]C[6]C)(C[6]C[6]O){1|H<1>,1|S<2>,2|C<4>}	109.2945	0.271	2	110.1643	3.923	9	109.8451	4.506	10	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(CF3)	C(C[6]C[6]O[6])(F)3	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(CF3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6])(F)3	O[6](C[6]C[6]C)(C[6]C[6]O){2|C<4>,2|H<1>}	108.0940	0.000	1	110.1643	3.923	9	109.8451	4.506	10	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6,6]C[3x6]N[6])(C[6]C[6]C)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3){1|H<1>,1|N<2>,2|C<4>}	C(C[6]C[6]O[6])(H)3	O[6](C[6,6]C[3x6]N[6])(C[6]C[6]C){1|C<2>,2|C<3>,2|C<4>}	107.6760	0.000	1	107.6760	0.000	1	107.6760	0.000	1	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3){1|N<3>,3|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>}	107.2784	0.700	5	107.5550	0.851	6	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3){1|N<3>,3|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]N){1|C<4>,2|C<3>}	108.9380	0.000	1	107.5550	0.851	6	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[5,6]C)(O[6]C[6])(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	108.2850	0.000	1	108.2850	0.000	1	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[5,6]O)(C[6]C[6]C)	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[5,6]O)(C[6]C[6]C){2|C<4>,2|H<1>}	109.9420	0.000	1	109.6847	0.111	3	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[5,6]O)(C[6]C[6]C)	C[6](C[6]C[5,6]H)(O[6]C[6])(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[5,6]O)(C[6]C[6]C){2|C<4>,2|H<1>}	109.5560	0.351	2	109.6847	0.111	3	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[5a,6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[5a,6]N)(C[6]C[6]C)	C[6](C[6]C[5a,6]C)(O[6]C[6])(CH3){1|N<2>,2|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[5a,6]N)(C[6]C[6]C){1|N<3>,2|C<3>}	108.9790	0.000	1	108.9790	0.000	1	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6,6]C[6a])(C[6]C[6]C)	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){3|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6,6]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	111.9730	0.000	1	111.9730	0.000	1	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6,6]H)(C[6]C[6]C)	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){1|H<1>,2|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6,6]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|H<1>}	111.5058	0.738	6	111.5058	0.545	6	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6,6a]O)(C[6]C[6]C)	C[6](C[6]C[6,6a]H)(O[6]C[6])(CH3){1|C<3>,2|O<2>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6,6a]O)(C[6]C[6]C){1|H<1>,2|C<3>}	112.2043	0.078	3	112.2043	0.006	3	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]F)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|F<1>,2|H<1>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]F){1|C<2>,1|C<3>,1|C<4>}	107.7450	0.000	1	107.7450	0.000	1	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<2>,1|C<3>,1|N<2>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]N){1|N<3>,2|C<3>}	110.2990	0.000	1	107.8672	0.796	17	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>}	107.7310	0.703	2	107.8672	0.796	17	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<2>,2|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>}	108.3080	0.000	1	107.8672	0.796	17	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>}	107.5960	0.660	12	107.8672	0.796	17	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]N){1|C<4>,2|C<3>}	108.5220	0.000	1	107.8672	0.796	17	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<2>,1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	108.3460	0.000	1	108.5345	0.071	2	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	108.7230	0.000	1	108.5345	0.071	2	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)2	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)2{1|C<3>,1|C<4>,2|H<1>}	108.3965	0.276	2	108.5514	0.058	5	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)2	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)2{1|C<4>,2|C<3>}	108.6725	0.275	2	108.5514	0.058	5	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)2	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)2{1|C<3>,1|C<4>,1|H<1>}	108.6190	0.000	1	108.5514	0.058	5	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6])(C[6]C[6]C)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6])(C[6]C[6]C){1|C<2>,1|C<4>,3|C<3>}	108.4990	0.000	1	108.7365	0.202	4	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6])(C[6]C[6]C)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6])(C[6]C[6]C){1|C<4>,4|C<3>}	108.2210	0.000	1	108.7365	0.202	4	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6])(C[6]C[6]C)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6])(C[6]C[6]C){2|C<4>,3|C<3>}	109.1130	0.021	2	108.7365	0.202	4	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6,6]O)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,2|O<1>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6,6]O)(C[6]C[6]C){1|C<3>,1|H<1>,2|C<4>}	111.7890	0.000	1	111.7890	0.000	1	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	112.2110	0.000	1	112.2110	0.000	1	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,2|O<1>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]O){1|H<1>,2|C<3>}	111.8761	0.525	12	111.7115	0.605	13	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]O){1|H<1>,3|C<4>}	109.7360	0.000	1	111.7115	0.605	13	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)2	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)2{1|C<3>,2|H<1>}	111.8338	0.516	4	111.8594	0.134	14	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)2	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,2|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)2{1|C<3>,2|H<1>}	111.8697	0.324	10	111.8594	0.134	14	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6])(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|S<1>,2|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6])(C[6]C[6]C){1|H<1>,1|O<2>,3|C<3>}	112.3660	0.000	1	112.2837	0.350	4	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6])(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|S<2>,2|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6])(C[6]C[6]C){1|H<1>,1|O<2>,3|C<3>}	112.2563	0.722	3	112.2837	0.350	4	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	113.1714	1.211	10	113.3455	0.936	37	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<1>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	112.5420	0.860	2	113.3455	0.936	37	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	113.5059	0.951	19	113.3455	0.936	37	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|Se<2>,1|C<3>,1|H<1>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	113.3955	0.526	6	113.3455	0.936	37	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]S)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]S)(O[6]C[6])(CH3){1|C<3>,3|H<1>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]H){1|Cl<1>,1|C<4>,1|S<4>}	108.4480	0.000	1	108.4480	0.000	1	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]O[6]O)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]O[6]O)(O[6]C[6])(CH3){1|C<4>,1|O<1>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	110.9990	0.000	1	110.9990	0.000	1	111.0670	5.244	122	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	Ge[6]-3:C[6]-3:	C[6](C[6]C[6]H)(O[6]Ge[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](Ge[6]N[6]Cl)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]Ge[6])(CH3){1|Cl<1>,1|C<4>,1|N<3>}	C(C[6]C[6]O[6])(H)3	O[6](Ge[6]N[6]Cl)(C[6]C[6]C){1|H<1>,2|C<3>}	113.4370	0.000	1	113.4370	0.000	1	113.4370	0.000	1	111.0233	5.231	142	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:4:	C[6,6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:B[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(CH3)	C(C[6]C[6,6]O[6])(H)3	O[6](C[6]C[6,6]C)(B[6]O[6]FF)	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|F<1>}	C(C[6]C[6,6]O[6])(H)3	O[6](C[6]C[6,6]C)(B[6]O[6]FF){1|C<3>,1|C<4>}	113.4790	0.000	1	113.4790	0.000	1	113.4790	0.000	1	109.9650	9.862	3	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:4:	C[6,6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3)	C(C[6]C[6,6]O[6])(H)3	O[6](C[6]C[6,6]C)(C[6]C[6]CC)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3){2|H<1>,6|C<4>}	C(C[6]C[6,6]O[6])(H)3	O[6](C[6]C[6,6]C)(C[6]C[6]CC){2|C<4>,2|H<1>}	108.9830	0.000	1	108.9830	0.000	1	108.2080	1.201	2	109.9650	9.862	3	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	3:4:	C[6,6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3)	C(C[6]C[6,6]O[6])(H)3	O[6](C[6]C[6,6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6])(H)3	O[6](C[6]C[6,6]C)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	107.4330	0.000	1	107.4330	0.000	1	108.2080	1.201	2	109.9650	9.862	3	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[5,6]-3:O[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(CF3)	C(C[6]C[5,6]O[6])(F)3	O[6](C[6]C[5,6]CO)(C[6]C[5,6]C)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6])(CF3){2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[5,6]O[6])(F)3	O[6](C[6]C[5,6]CO)(C[6]C[5,6]C){4|C<4>}	108.5150	0.000	1	108.5150	0.000	1	108.5150	0.000	1	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6,6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	B[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(CH3)	C(C[6]C[6,6]O[6])(H)3	O[6](B[6]C[6a]2C[6])(C[6]C[6,6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(CH3){1|H<1>,1|P<4>,2|C<4>,3|C<3>}	C(C[6]C[6,6]O[6])(H)3	O[6](B[6]C[6a]2C[6])(C[6]C[6,6]C){1|C<4>,2|H<1>,5|C<3>}	109.7240	0.000	1	109.7240	0.000	1	109.7240	0.000	1	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6,6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3)	C(C[6]C[6,6]O[6])(H)3	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]O[6])(H)3	O[6](C[6]C[6a]C[6]H)(C[6]C[6,6]C){1|H<1>,2|C<3>,3|C<4>}	109.0380	0.000	1	109.0380	0.000	1	109.0380	0.000	1	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(CF3)	C(C[6]C[6]O[6])(F)3	O[6](C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CF3){2|C<4>,3|H<1>}	C(C[6]C[6]O[6])(F)3	O[6](C[6]C[6]CH)(C[6]C[6]C){1|C<4>,3|H<1>}	109.9430	0.000	1	109.9430	0.000	1	109.9430	0.000	1	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	B[3x6]-4:C[6]-3:	C[6](C[6]C[6,6]H)(O[6]B[3x6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](B[3x6]C[6,6]2N[6,6])(C[6]C[6]C)	C[6](C[6]C[6,6]H)(O[6]B[3x6])(CH3){1|C<3>,1|N<3>,2|C<4>}	C(C[6]C[6]O[6])(H)3	O[6](B[3x6]C[6,6]2N[6,6])(C[6]C[6]C){2|C<3>,3|H<1>,4|C<4>}	114.7130	0.000	1	114.7130	0.000	1	114.7130	0.000	1	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	B[6]-4:C[6]-3:	C[6](C[6]C[6,6]H)(O[6]B[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6]H)(O[6]B[6])(CH3){1|N<3>,3|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](B[6]N[6,6]C[6a]2)(C[6]C[6]C){1|H<1>,6|C<3>}	113.8340	0.000	1	113.8340	0.000	1	114.0078	0.592	29	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	B[6]-4:C[6]-3:	C[6](C[6]C[6,6]H)(O[6]B[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](B[6]N[6,6]FF)(C[6]C[6]C)	C[6](C[6]C[6,6]H)(O[6]B[6])(CH3){1|C<3>,1|N<3>,2|F<1>}	C(C[6]C[6]O[6])(H)3	O[6](B[6]N[6,6]FF)(C[6]C[6]C){1|H<1>,2|C<3>}	113.5076	0.406	14	113.5076	0.165	14	114.0078	0.592	29	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	B[6]-4:C[6]-3:	C[6](C[6]C[6]H)(O[6]B[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](B[6]O[6]FF)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]B[6])(CH3){1|C<3>,1|O<2>,2|F<1>}	C(C[6]C[6]O[6])(H)3	O[6](B[6]O[6]FF)(C[6]C[6]C){1|C<3>,1|H<1>}	114.9975	0.579	4	115.0917	0.227	6	114.0078	0.592	29	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	B[6]-4:C[6]-3:	C[6](C[6]C[6]H)(O[6]B[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](B[6]O[6]FF)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]B[6])(CH3){1|C<4>,1|O<2>,2|F<1>}	C(C[6]C[6]O[6])(H)3	O[6](B[6]O[6]FF)(C[6]C[6]C){1|C<3>,1|H<1>}	115.2800	0.158	2	115.0917	0.227	6	114.0078	0.592	29	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	B[6]-4:C[6]-3:	C[6](C[6]C[6]N)(O[6]B[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](B[6]C[6a]2N[6])(C[6]C[6]C)	C[6](C[6]C[6]N)(O[6]B[6])(CH3){1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](B[6]C[6a]2N[6])(C[6]C[6]C){1|C<4>,1|N<2>,5|C<3>}	113.2965	0.069	2	113.6193	0.315	3	114.0078	0.592	29	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	B[6]-4:C[6]-3:	C[6](C[6]C[6]N)(O[6]B[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](B[6]C[6a]2N[6])(C[6]C[6]C)	C[6](C[6]C[6]N)(O[6]B[6])(CH3){1|C<4>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](B[6]C[6a]2N[6])(C[6]C[6]C){1|N<2>,6|C<3>}	114.2650	0.000	1	113.6193	0.315	3	114.0078	0.592	29	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	B[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](B[6]C[6a]2O[6])(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3){2|O<2>,4|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](B[6]C[6a]2O[6])(C[6]C[6]C){6|C<3>}	113.7440	0.000	1	113.7440	0.000	1	114.0078	0.592	29	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	B[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](B[6]O[6]FF)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3){1|C<4>,1|O<2>,2|C<3>,2|F<1>}	C(C[6]C[6]O[6])(H)3	O[6](B[6]O[6]FF)(C[6]C[6]C){2|C<3>}	114.5332	0.395	4	114.5332	0.156	4	114.0078	0.592	29	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	108.9010	0.000	1	108.3780	0.547	2	108.6587	1.033	4	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	107.8550	0.000	1	108.3780	0.547	2	108.6587	1.033	4	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(O[6]C[6,6])(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	107.8820	0.000	1	107.8820	0.000	1	108.6587	1.033	4	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:	C[6](C[6]C[6,6]H)(O[6]C[6,6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]2H)(C[6]C[6]C)	C[6](C[6]C[6,6]H)(O[6]C[6,6])(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6])(H)3	O[6](C[6,6]C[6,6]2H)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	109.9970	0.000	1	109.9970	0.000	1	108.6587	1.033	4	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6,6]HH)(C[6]C[6]C)	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6,6]HH)(C[6]C[6]C){1|H<1>,2|C<3>}	112.2920	0.000	1	112.2920	0.000	1	110.4015	2.542	17	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6,6]HO)(C[6]C[6]C)	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6,6]HO)(C[6]C[6]C){1|H<1>,2|C<3>}	112.3310	0.000	1	112.3310	0.000	1	110.4015	2.542	17	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6,6a]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6,6a]HH)(C[6]C[6]C)	C[6](C[6]C[6,6a]H)(O[6]C[6])(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6,6a]HH)(C[6]C[6]C){1|H<1>,2|C<3>}	111.3850	0.000	1	111.3850	0.000	1	110.4015	2.542	17	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6,6a]P)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6,6a]N[5]H)(C[6]C[6]C)	C[6](C[6]C[6,6a]P)(O[6]C[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6,6a]N[5]H)(C[6]C[6]C){1|C<4>,1|N<3>,1|P<4>,2|C<3>}	107.6760	0.000	1	107.6760	0.000	1	110.4015	2.542	17	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|H<1>,2|C<4>}	108.3940	0.000	1	108.3940	0.000	1	110.4015	2.542	17	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6a]2N[6])(C[6]C[6]C)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6a]2N[6])(C[6]C[6]C){2|C<4>,5|C<3>}	110.0490	0.000	1	110.0490	0.000	1	110.4015	2.542	17	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]O[6]CC)(C[6]C[6]C)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]O[6]CC)(C[6]C[6]C){1|C<2>,1|C<3>}	112.3910	0.000	1	111.8775	0.527	2	110.4015	2.542	17	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]O[6]CC)(C[6]C[6]C)	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]O[6]CC)(C[6]C[6]C){1|C<3>,1|C<4>}	111.3640	0.000	1	111.8775	0.527	2	110.4015	2.542	17	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6a]2N[6])(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6a]2N[6])(C[6]C[6]C){1|C<4>,1|H<1>,5|C<3>}	111.5830	0.000	1	111.5830	0.000	1	110.4015	2.542	17	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]O)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6a]C[6]O)(C[6]C[6]C){2|C<3>,2|C<4>,2|H<1>}	110.6530	0.000	1	110.6530	0.000	1	110.4015	2.542	17	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6a]N[6]C)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,1|N<2>,2|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6a]N[6]C)(C[6]C[6]C){1|H<1>,3|C<3>}	112.3120	0.000	1	112.3120	0.000	1	110.4015	2.542	17	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]N[6]C)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(O[6]C[6])(CH3){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]N[6]C)(C[6]C[6]C){5|C<3>}	110.2440	0.000	1	110.2440	0.000	1	110.4015	2.542	17	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]O[6]CC)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(O[6]C[6])(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]O[6]CC)(C[6]C[6]C){2|C<3>}	110.8530	0.000	1	110.8530	0.000	1	110.4015	2.542	17	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]S[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]S[6]C)(O[6]C[6])(CH3){1|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|S<4>,2|H<1>}	109.0460	0.000	1	108.8247	0.219	4	110.4015	2.542	17	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]S[6]C)(O[6]C[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]S[6]C)(O[6]C[6])(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]O[6])(H)3	O[6](C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|S<2>,2|H<1>}	108.7510	0.544	3	108.8247	0.219	4	110.4015	2.542	17	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	Ga[6]-4:C[6]-3:	C[6](C[6]C[6]H)(O[6]Ga[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](Ga[6]N[6]Cl2)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]Ga[6])(CH3){2|Cl<1>,1|C<4>,1|N<3>}	C(C[6]C[6]O[6])(H)3	O[6](Ga[6]N[6]Cl2)(C[6]C[6]C){1|C<3>,1|C<4>,1|H<1>}	113.5100	0.000	1	113.5100	0.000	1	113.6675	0.050	2	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	Ga[6]-4:C[6]-3:	C[6](C[6]C[6]H)(O[6]Ga[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](Ga[6]N[6]NN)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]Ga[6])(CH3){1|C<4>,3|N<3>}	C(C[6]C[6]O[6])(H)3	O[6](Ga[6]N[6]NN)(C[6]C[6]C){1|C<3>,1|C<4>,1|H<1>}	113.8250	0.000	1	113.8250	0.000	1	113.6675	0.050	2	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	Ge[6]-4:C[6]-3:	C[6](C[6]C[6]H)(O[6]Ge[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](Ge[6]C[6a]C[6]C)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]Ge[6])(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6])(H)3	O[6](Ge[6]C[6a]C[6]C)(C[6]C[6]C){1|C<4>,1|H<1>,1|P<2>,2|C<3>}	110.5400	0.000	1	110.5400	0.000	1	110.5400	0.000	1	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	In[6]-4:C[6]-3:	C[6](C[6]C[6]H)(O[6]In[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](In[6]O[6]CC)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]In[6])(CH3){1|O<2>,3|C<4>}	C(C[6]C[6]O[6])(H)3	O[6](In[6]O[6]CC)(C[6]C[6]C){1|C<3>,1|H<1>}	115.5850	1.185	2	115.5850	1.404	2	115.5850	1.404	2	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	P[6]-4:C[6]-3:	C[6](C[6]C[6]C)(O[6]P[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](P[6]N[6]ClO)(C[6]C[6]C)	C[6](C[6]C[6]C)(O[6]P[6])(CH3){1|Cl<1>,1|N<3>,2|O<1>}	C(C[6]C[6]O[6])(H)3	O[6](P[6]N[6]ClO)(C[6]C[6]C){1|C<4>,2|C<3>}	109.8270	0.000	1	109.8270	0.000	1	109.8270	0.000	1	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-3:	C[6](C[6]C[6]H)(O[6]S[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](S[6]N[6]OO)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]S[6])(CH3){1|N<2>,1|O<2>,2|O<1>}	C(C[6]C[6]O[6])(H)3	O[6](S[6]N[6]OO)(C[6]C[6]C){1|C<3>,1|H<1>}	111.5290	1.605	2	111.2430	0.415	15	111.2430	0.415	15	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-3:	C[6](C[6]C[6]H)(O[6]S[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](S[6]N[6]OO)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]S[6])(CH3){1|N<2>,3|O<1>}	C(C[6]C[6]O[6])(H)3	O[6](S[6]N[6]OO)(C[6]C[6]C){1|C<3>,1|H<1>}	111.2454	0.601	9	111.2430	0.415	15	111.2430	0.415	15	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-3:	C[6](C[6]C[6]H)(O[6]S[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](S[6]N[6]OO)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]S[6])(CH3){1|N<3>,3|O<1>}	C(C[6]C[6]O[6])(H)3	O[6](S[6]N[6]OO)(C[6]C[6]C){1|C<3>,2|H<1>}	111.1233	0.193	3	111.2430	0.415	15	111.2430	0.415	15	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	S[6]-4:C[6]-3:	C[6](C[6]C[6]H)(O[6]S[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](S[6]N[6]OO)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]S[6])(CH3){1|N<3>,3|O<1>}	C(C[6]C[6]O[6])(H)3	O[6](S[6]N[6]OO)(C[6]C[6]C){1|Pd<4>,1|C<3>,1|H<1>}	111.0080	0.000	1	111.2430	0.415	15	111.2430	0.415	15	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	4:3:	N[6,6a]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	B[6,6,6a]-4:C[6]-3:	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CH3)	C(C[6]N[6,6a]O[6])(H)3	O[6](B[6,6,6a]C[6a,6a]N[6,6a]O[6,6])(C[6]N[6,6a]C)	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CH3){1|N<3>,2|O<2>,3|C<3>}	C(C[6]N[6,6a]O[6])(H)3	O[6](B[6,6,6a]C[6a,6a]N[6,6a]O[6,6])(C[6]N[6,6a]C){1|B<4>,2|N<2>,3|C<3>}	116.6100	0.604	2	116.6100	0.365	2	116.6100	0.365	2	112.1841	5.159	78	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	6:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	Nb[6]-6:C[6]-3:	C[6](C[6]C[5,6]H)(O[6]Nb[6])(CF3)	C(C[6]C[6]O[6])(F)3	O[6](Nb[6]N[5,6]O4)(C[6]C[6]C)	C[6](C[6]C[5,6]H)(O[6]Nb[6])(CF3){1|N<3>,1|S<2>,4|O<2>}	C(C[6]C[6]O[6])(F)3	O[6](Nb[6]N[5,6]O4)(C[6]C[6]C){1|H<1>,2|C<3>}	112.2260	0.000	1	112.2260	0.000	1	112.2235	0.000	2	114.6913	3.720	6	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	6:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:F-1:F-1:F-1:	Nb[6]-6:C[6]-3:	C[6](C[6]C[6,6]H)(O[6]Nb[6])(CF3)	C(C[6]C[6]O[6])(F)3	O[6](Nb[6]N[6,6]O4)(C[6]C[6]C)	C[6](C[6]C[6,6]H)(O[6]Nb[6])(CF3){1|C<3>,1|N<3>,4|O<2>}	C(C[6]C[6]O[6])(F)3	O[6](Nb[6]N[6,6]O4)(C[6]C[6]C){1|H<1>,2|C<3>}	112.2210	0.000	1	112.2210	0.000	1	112.2235	0.000	2	114.6913	3.720	6	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	6:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	Nb[6]-6:C[6]-3:	C[6](C[6]C[6]H)(O[6]Nb[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](Nb[6]O[6]Cl2OO)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]Nb[6])(CH3){2|Cl<1>,1|C<4>,3|O<2>}	C(C[6]C[6]O[6])(H)3	O[6](Nb[6]O[6]Cl2OO)(C[6]C[6]C){1|C<3>,1|H<1>}	115.6875	0.295	2	115.6875	0.087	2	115.9253	0.109	4	114.6913	3.720	6	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:1:1:1:	6:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	Nb[6]-6:C[6]-3:	C[6](C[6]C[6]H)(O[6]Nb[6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](Nb[6]O[6]ClO3)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]Nb[6])(CH3){1|Cl<1>,1|C<4>,4|O<2>}	C(C[6]C[6]O[6])(H)3	O[6](Nb[6]O[6]ClO3)(C[6]C[6]C){1|C<3>,1|H<1>}	116.1630	0.119	2	116.1630	0.014	2	115.9253	0.109	4	114.6913	3.720	6	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:2:1:1:	4:3:	C[5,6]-3:O[6]-2:C-4:	C[6]-3:O-2:H-1:H-1:	C[5,6]-4:C[6]-3:	C[6](C[5,6]C[5,6]O[5])(O[6]C[5,6])(CHHO)	C(C[6]C[5,6]O[6])(OP)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C)	C[6](C[5,6]C[5,6]O[5])(O[6]C[5,6])(CHHO){2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6])(OP)(H)2	O[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C){1|H<1>,2|C<4>,2|O<2>}	105.6220	0.000	1	105.6220	0.000	1	105.6220	0.000	1	108.6123	6.794	3	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:2:1:1:	4:3:	C[5,6]-3:O[6]-2:C-4:	C[6]-3:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(CHHO)	C(C[6]C[5,6]O[6])(OH)(H)2	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6])(CHHO){1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[5,6]O[6])(OH)(H)2	O[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C){1|H<1>,4|C<4>}	109.8120	0.000	1	109.8120	0.000	1	109.8120	0.000	1	108.6123	6.794	3	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:2:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6,6a]H)(O[6]C[6])(CHHO)	C(C[6]C[6]O[6])(OC)(H)2	O[6](C[6]C[6,6a]CH)(C[6]C[6]C)	C[6](C[6]C[6,6a]H)(O[6]C[6])(CHHO){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6])(OC)(H)2	O[6](C[6]C[6,6a]CH)(C[6]C[6]C){1|H<1>,2|C<3>}	110.4030	0.000	1	110.4030	0.000	1	110.4030	0.000	1	108.6123	6.794	3	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:3:1:1:	3:3:	C[6,6]-3:O[6]-2:C-4:	C[6]-3:C[6a]-3:H-1:H-1:	C[5a,6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(O[6]C[5a,6])(CC[6a]HH)	C(C[6]C[6,6]O[6])(C[6a]C[6a]2)(H)2	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]C[5a,6])(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(C[6]C[6,6]O[6])(C[6a]C[6a]2)(H)2	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]C){1|C<4>,1|N<2>,3|C<3>}	108.0980	0.000	1	108.0980	0.000	1	108.0980	0.000	1	109.1250	9.408	3	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:3:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CCH)(H)2	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6])(CCH)(H)2	O[6](C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	112.5740	0.000	1	112.5740	0.000	1	109.6385	17.234	2	109.1250	9.408	3	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:3:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-3:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(COO)(H)2	O[6](C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6])(COO)(H)2	O[6](C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<3>,1|C<4>}	106.7030	0.000	1	106.7030	0.000	1	109.6385	17.234	2	109.1250	9.408	3	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:3:4:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-3:C-4:H-1:	C[5a,6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(O[6]C[5a,6])(CCCH)	C(C[6]C[6]O[6])(CC[6a]O)(CH3)(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(O[6]C[5a,6])(CCCH){1|H<1>,1|N<3>,4|C<3>}	C(C[6]C[6]O[6])(CC[6a]O)(CH3)(H)	O[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C){1|C<4>,1|N<2>,3|C<3>}	106.7960	0.000	1	106.7960	0.000	1	106.7960	0.000	1	106.7960	0.000	1	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CCHH)(H)2	O[6](C[6]C[6,6a]S)(C[6]C[6]C)	C[6](C[6]C[6,6a]H)(O[6]C[6])(CCHH){1|S<1>,2|C<3>}	C(C[6]C[6]O[6])(CCHH)(H)2	O[6](C[6]C[6,6a]S)(C[6]C[6]C){1|H<1>,2|C<3>}	110.7960	0.000	1	110.7960	0.000	1	112.7059	3.828	14	112.7059	3.828	14	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]B)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CCHH)(H)2	O[6](C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]B)(O[6]C[6])(CCHH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6])(CCHH)(H)2	O[6](C[6]C[6]C)(C[6]C[6]O){1|B<4>,1|C<3>,1|H<1>}	108.7480	0.000	1	108.7480	0.000	1	112.7059	3.828	14	112.7059	3.828	14	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CCHH)(H)2	O[6](C[6]C[6]C)(C[6]C[6]S)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|C<3>,1|C<4>,1|S<2>}	C(C[6]C[6]O[6])(CCHH)(H)2	O[6](C[6]C[6]C)(C[6]C[6]S){1|C<3>,2|C<4>}	110.5660	0.000	1	110.5660	0.000	1	112.7059	3.828	14	112.7059	3.828	14	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CCHH)(H)2	O[6](C[6]C[6]Cr)(C[6]C[6]C)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|Cr<6>,1|C<3>,1|C<4>}	C(C[6]C[6]O[6])(CCHH)(H)2	O[6](C[6]C[6]Cr)(C[6]C[6]C){1|C<3>,2|C<4>}	109.8850	0.000	1	109.8850	0.000	1	112.7059	3.828	14	112.7059	3.828	14	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CH3)(H)2	O[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]O)(O[6]C[6])(CCHH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6])(CH3)(H)2	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	113.5526	0.746	8	113.7888	0.688	10	112.7059	3.828	14	112.7059	3.828	14	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:1:1:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CH3)(H)2	O[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]O)(O[6]C[6])(CCHH){1|C<3>,1|H<1>,1|S<1>}	C(C[6]C[6]O[6])(CH3)(H)2	O[6](C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<2>}	114.7335	0.250	2	113.7888	0.688	10	112.7059	3.828	14	112.7059	3.828	14	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CCHH)(H)2	O[6](C[6]C[6,6a]HO)(C[6]C[6]C)	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6])(CCHH)(H)2	O[6](C[6]C[6,6a]HO)(C[6]C[6]C){1|I<1>,2|C<3>}	110.0078	1.060	4	110.0078	1.124	4	110.7611	1.326	16	111.4334	5.194	18	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CC[6a]HO)(H)2	O[6](C[6]C[6,6a]HO)(C[6]C[6]C)	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6])(CC[6a]HO)(H)2	O[6](C[6]C[6,6a]HO)(C[6]C[6]C){1|I<1>,2|C<3>}	110.2460	0.198	2	110.2460	0.039	2	110.7611	1.326	16	111.4334	5.194	18	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CHHO)(H)2	O[6](C[6]C[6,6a]HO)(C[6]C[6]C)	C[6](C[6]C[6,6a]I)(O[6]C[6])(CCHH){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6])(CHHO)(H)2	O[6](C[6]C[6,6a]HO)(C[6]C[6]C){1|I<1>,2|C<3>}	109.9970	0.214	2	109.9970	0.046	2	110.7611	1.326	16	111.4334	5.194	18	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6,6a]O)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CC[6]HH)(H)2	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]C)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6])(CC[6]HH)(H)2	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]C){1|H<1>,2|O<2>,3|C<3>}	112.2390	0.509	2	112.2390	0.259	2	110.7611	1.326	16	111.4334	5.194	18	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CH3)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6])(CH3)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]C){1|C<3>,1|H<1>,2|C<4>}	110.6680	1.802	2	110.6680	3.246	2	110.7611	1.326	16	111.4334	5.194	18	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CC[6a]CO)(H)2	O[6](C[6]O[6]CC)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CCHH){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6])(CC[6a]CO)(H)2	O[6](C[6]O[6]CC)(C[6]C[6]C){1|C<3>,1|H<1>}	112.3570	0.000	1	112.3570	0.000	1	110.7611	1.326	16	111.4334	5.194	18	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CC[6a]HN)(H)2	O[6](C[6]O[6]CC)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CCHH){1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6])(CC[6a]HN)(H)2	O[6](C[6]O[6]CC)(C[6]C[6]C){1|C<3>,1|H<1>}	111.6695	0.008	2	111.6695	0.000	2	110.7611	1.326	16	111.4334	5.194	18	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(O[6]C[6])(CCHH)	C(C[6]C[6]O[6])(CCHH)(H)2	O[6](C[6]C[6a]C[6]C)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(O[6]C[6])(CCHH){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6]O[6])(CCHH)(H)2	O[6](C[6]C[6a]C[6]C)(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	110.1510	0.000	1	110.1510	0.000	1	110.7611	1.326	16	111.4334	5.194	18	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:1:1:	4:3:	N[6,6a]-3:O[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	B[6,6,6a]-4:C[6]-3:	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CCHH)	C(C[6]N[6,6a]O[6])(CH3)(H)2	O[6](B[6,6,6a]C[6a,6a]N[6,6a]O[6,6])(C[6]N[6,6a]C)	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CCHH){1|N<3>,2|O<2>,3|C<3>}	C(C[6]N[6,6a]O[6])(CH3)(H)2	O[6](B[6,6,6a]C[6a,6a]N[6,6a]O[6,6])(C[6]N[6,6a]C){1|B<4>,2|N<2>,3|C<3>}	116.8120	1.824	2	116.8120	3.328	2	116.8120	3.328	2	111.4334	5.194	18	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:4:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[3,6]H)(O[6]C[6])(CCCH)	C(C[6]C[6]O[6])(CH3)2(H)	O[6](C[6]C[3,6]HH)(C[6]C[6]C)	C[6](C[6]C[3,6]H)(O[6]C[6])(CCCH){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6])(CH3)2(H)	O[6](C[6]C[3,6]HH)(C[6]C[6]C){2|C<4>,2|H<1>}	109.5680	0.000	1	109.5680	0.000	1	109.5468	0.081	5	110.0807	1.775	6	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:4:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6,6]C)(O[6]C[6])(CCCH)	C(C[6]C[6]O[6])(CCHH)(CH3)(H)	O[6](C[6]C[6,6]HH)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(O[6]C[6])(CCCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6])(CCHH)(CH3)(H)	O[6](C[6]C[6,6]HH)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>}	109.4040	0.000	1	109.4040	0.000	1	109.5468	0.081	5	110.0807	1.775	6	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:4:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6,6a]P)(O[6]C[6])(CCCH)	C(C[6]C[6]O[6])(CH3)2(H)	O[6](C[6]C[6,6a]HH)(C[6]C[6]C)	C[6](C[6]C[6,6a]P)(O[6]C[6])(CCCH){2|C<3>,2|H<1>}	C(C[6]C[6]O[6])(CH3)2(H)	O[6](C[6]C[6,6a]HH)(C[6]C[6]C){1|P<4>,2|C<3>}	110.0340	0.000	1	110.0340	0.000	1	109.5468	0.081	5	110.0807	1.775	6	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:4:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CCCH)	C(C[6]C[6]O[6])(CCHO)(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]C[6]C)(O[6]C[6])(CCCH){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6])(CCHO)(CH3)(H)	O[6](C[6]C[6]CH)(C[6]C[6]C){1|H<1>,3|C<4>}	109.3450	0.000	1	109.3450	0.000	1	109.5468	0.081	5	110.0807	1.775	6	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:4:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(CCCH)	C(C[6]C[6]O[6])(CHHO)(CH3)(H)	O[6](C[6]C[6]N[5]H)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CCCH){1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]O[6])(CHHO)(CH3)(H)	O[6](C[6]C[6]N[5]H)(C[6]C[6]C){1|H<1>,2|C<3>,2|C<4>}	109.3830	0.000	1	109.3830	0.000	1	109.5468	0.081	5	110.0807	1.775	6	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:4:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:H-1:	Si[6]-4:C[6]-3:	C[6](C[6]C[6,6a]H)(O[6]Si[6])(CCCH)	C(C[6]C[6]O[6])(CC[6a]HN)(CCHH)(H)	O[6](Si[6]C[6,6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]H)(O[6]Si[6])(CCCH){4|C<3>}	C(C[6]C[6]O[6])(CC[6a]HN)(CCHH)(H)	O[6](Si[6]C[6,6a]C[6a]2)(C[6]C[6]C){1|H<1>,6|C<3>}	112.7500	0.000	1	112.7500	0.000	1	112.7500	0.000	1	110.0807	1.775	6	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:4:4:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(O[6]C[6])(CC3)	C(C[6]C[6]O[6])(CH3)3	O[6](C[6]C[6,6a]N)(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6a])(O[6]C[6])(CC3){1|N<2>,4|C<3>}	C(C[6]C[6]O[6])(CH3)3	O[6](C[6]C[6,6a]N)(C[6]C[6]C){3|C<3>}	109.3520	0.000	1	109.3520	0.000	1	110.1840	0.564	26	110.1840	0.564	26	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:4:4:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(O[6]C[6])(CC3)	C(C[6]C[6]O[6])(CH3)3	O[6](C[6]C[6,6a]S)(C[6]C[6]C)	C[6](C[6]C[6,6a]H)(O[6]C[6])(CC3){1|S<1>,2|C<3>}	C(C[6]C[6]O[6])(CH3)3	O[6](C[6]C[6,6a]S)(C[6]C[6]C){1|H<1>,2|C<3>}	110.2800	0.272	2	110.2800	0.074	2	110.1840	0.564	26	110.1840	0.564	26	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:4:4:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(CC3)	C(C[6]C[6]O[6])(CH3)3	O[6](C[6]C[6]C)2	C[6](C[6]C[6]H)(O[6]C[6])(CC3){1|C<4>,2|C<3>}	C(C[6]C[6]O[6])(CH3)3	O[6](C[6]C[6]C)2{1|C<3>,2|H<1>}	110.1687	0.767	22	110.2118	0.605	23	110.1840	0.564	26	110.1840	0.564	26	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:4:4:	3:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(CC3)	C(C[6]C[6]O[6])(CH3)3	O[6](C[6]C[6]C)2	C[6](C[6]C[6]H)(O[6]C[6])(CC3){3|C<3>}	C(C[6]C[6]O[6])(CH3)3	O[6](C[6]C[6]C)2{1|C<3>,2|H<1>}	111.1590	0.000	1	110.2118	0.605	23	110.1840	0.564	26	110.1840	0.564	26	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	3:4:4:4:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-3:	C[6](C[6]C[6]C)(O[6]C[6])(CC3)	C(C[6]C[6]O[6])(CH3)3	O[6](C[6]O[6]CC)(C[6]C[6]C)	C[6](C[6]C[6]C)(O[6]C[6])(CC3){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C(C[6]C[6]O[6])(CH3)3	O[6](C[6]O[6]CC)(C[6]C[6]C){2|C<3>}	111.6660	0.000	1	111.6660	0.000	1	111.6660	0.000	1	111.6660	0.000	1	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	4:3:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[5]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(CC[5]HH)	C(C[5]C[5,6a]C[5]N)(C[6]C[6]O[6])(H)2	O[6](C[6]O[6]CC)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CC[5]HH){1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5,6a]C[5]N)(C[6]C[6]O[6])(H)2	O[6](C[6]O[6]CC)(C[6]C[6]C){1|C<3>,1|H<1>}	113.4570	0.000	1	113.4570	0.000	1	113.4570	0.000	1	113.0160	0.389	2	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	4:3:1:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH)	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6])(H)2	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]C)	C[6](C[6]C[6,6a]O)(O[6]C[6])(CC[6]HH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]O[6]H)(C[6]C[6]O[6])(H)2	O[6](C[6]C[6,6a]C[6]H)(C[6]C[6]C){2|O<2>,4|C<3>}	112.5750	0.000	1	112.5750	0.000	1	112.5750	0.000	1	113.0160	0.389	2	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:2:4:	4:3:4:1:	4:3:	C[6]-3:O[6]-2:C-4:	C[5]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]H)(O[6]C[6])(CC[5]CH)	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6])(CH3)(H)	O[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6]H)(O[6]C[6])(CC[5]CH){1|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(C[6]C[6]O[6])(CH3)(H)	O[6](C[6]C[6]HH)(C[6]C[6]C){2|C<4>,2|H<1>}	113.8630	0.000	1	113.8630	0.000	1	113.8630	0.000	1	113.8630	0.000	1	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:4:2:	3:3:1:1:	3:3:	C[6]-3:C-4:O[6]-2:	C[6]-3:C[6a]-3:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(CC[6a]HH)(O[6]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)2	O[6](C[6]C[6,6a]S)(C[6]C[6]C)	C[6](C[6]C[6,6a]H)(CC[6a]HH)(O[6]C[6]){1|S<1>,2|C<3>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)2	O[6](C[6]C[6,6a]S)(C[6]C[6]C){1|H<1>,2|C<3>}	109.3430	0.000	1	109.3430	0.000	1	109.3430	0.000	1	109.3430	0.000	1	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:4:2:	3:3:1:1:	4:3:	C[6]-3:C-4:O[6]-2:	C[6]-3:C[6a]-3:H-1:H-1:	C[6]-4:C[6]-3:	C[6](C[6]N[6]H)(CC[6a]HH)(O[6]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]N[6]H)(CC[6a]HH)(O[6]C[6]){1|H<1>,1|S<4>,2|C<4>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)2	O[6](C[6]C[6]CH)(C[6]C[6]C){1|N<3>,3|H<1>}	111.6320	0.000	1	111.6320	0.000	1	111.6320	0.000	1	111.6320	0.000	1	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:4:2:	3:3:3:1:	3:3:	C[6]-3:C-4:O[6]-2:	C[6]-3:C[6a]-3:C-3:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(COO)(H)	O[6](C[6]C[6]C)2	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)(COO)(H)	O[6](C[6]C[6]C)2{1|C<4>,3|H<1>}	108.4790	0.000	1	108.4790	0.000	1	108.4790	0.000	1	108.4790	0.000	1	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:4:2:	3:3:3:1:	4:3:	C[6]-3:C-4:O[6]-2:	C[6]-3:C[6a]-3:C-3:H-1:	C[6]-4:C[6]-3:	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6]H)(CC[6a]CH)(O[6]C[6]){1|C<4>,4|H<1>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCC)(H)	O[6](C[6]C[6]HH)(C[6]C[6]C){1|C<4>,3|H<1>}	109.1350	0.000	1	109.1350	0.000	1	109.1350	0.000	1	109.1350	0.000	1	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:4:2:	3:3:3:2:	4:3:	C[6]-3:C-4:O[6]-2:	C[6]-3:C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6]-3:	C[6](C[6]C[6]C)(CC[6a]2O)(O[6]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)2(OC)	O[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6]C)(CC[6a]2O)(O[6]C[6]){1|C<4>,4|H<1>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)2(OC)	O[6](C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	111.0390	0.000	1	111.0390	0.000	1	111.0390	0.000	1	111.0390	0.000	1	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	3:4:2:	3:3:4:1:	3:3:	C[6]-3:C-4:O[6]-2:	C[6]-3:C[6a]-3:C-4:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6])	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCHH)(H)	O[6](C[6]C[6a]C[6])(C[6]C[6]C)	C[6](C[6]C[6]C)(CC[6a]CH)(O[6]C[6]){1|H<1>,3|C<3>}	C(C[6]C[6]O[6])(C[6a]C[6a]2)(CCHH)(H)	O[6](C[6]C[6a]C[6])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	109.5500	0.000	1	109.5500	0.000	1	109.5500	0.000	1	109.5500	0.000	1	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	4:2:4:	3:1:1:1:	4:3:	C[6]-4:O[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)	C(C[6]C[6]O[6])(H)3	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]C)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6])(H)3	O[6](C[6,6]C[3,6]C[6]O[6])(C[6]C[6]C){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	104.3060	0.000	1	104.3060	0.000	1	104.3060	0.000	1	104.3060	0.000	1	111.8654	7.194	440	111.8654	7.194	440
762	490	622	0:SP2_SP2_SP3	C[6]	C	O[6]	4:2:4:	3:4:1:1:	3:3:	C[6]-4:O[6]-2:C-4:	C[6]-3:N-4:H-1:H-1:	C[6]-3:C[6]-3:	C[6](C[6]C[6]GdO)(O[6]C[6])(CHHN)	C(C[6]C[6]O[6])(NCoCC)(H)2	O[6](C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]GdO)(O[6]C[6])(CHHN){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6])(NCoCC)(H)2	O[6](C[6]C[6]C)(C[6]C[6]H){1|Gd<16>,1|C<4>,1|H<1>,1|O<3>}	114.6135	0.685	4	114.6135	0.470	4	114.6135	0.470	4	114.6135	0.470	4	111.8654	7.194	440	111.8654	7.194	440
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:N[6]-2:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6])(CH3)	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6])(CH3){1|H<1>,2|C<3>,2|N<3>}	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]C){2|H<1>,3|C<3>}	120.3180	0.000	1	120.3180	0.000	1	120.3180	0.000	1	120.3180	0.000	1	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH)	C(C[6]C[6,6a]N[6])(CC[6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6])(CC[6a]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	121.8220	0.000	1	121.8220	0.000	1	120.8148	1.528	5	120.8148	1.528	5	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(CCHH)	C(C[6]C[6,6a]N[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.5905	0.336	2	121.5905	0.113	2	120.8148	1.528	5	120.8148	1.528	5	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:2:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6]-2:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)	C(C[6]C[6,6a]N[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[6]C[6,6a]N[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|S<4>,2|H<1>}	119.5355	0.713	2	119.5355	0.509	2	120.8148	1.528	5	120.8148	1.528	5	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	N[6,6a]-3:N[6a]-2:C[6]-3:	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]C)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(C[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	117.7700	0.000	1	117.7700	0.000	1	117.7700	0.000	1	117.7700	0.000	1	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5,6]-3:C[6,6a]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(CH3)	C(C[6]C[6,6a]C[5,6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]O)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,1|O<2>,5|C<3>}	C(C[6]C[6,6a]C[5,6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	121.9960	0.211	2	121.9960	0.044	2	121.9960	0.044	2	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:F-1:F-1:F-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CF3)	C(C[6]C[6,6a]C[6])(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CF3){1|Ni<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6])(F)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ni<6>,1|C<3>,1|C<4>,3|H<1>}	118.8530	0.000	1	118.8530	0.000	1	118.8530	0.000	1	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6])(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6])(CH3){1|H<1>,1|N<3>,5|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	117.6610	0.000	1	117.6610	0.000	1	117.6610	0.000	1	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[5a,6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]C){1|B<4>,1|O<2>,2|C<3>,2|H<1>}	119.8370	0.123	2	119.8370	0.015	2	119.8370	0.015	2	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6,6a]C[6,6a,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.7600	0.000	1	120.7600	0.000	1	120.7600	0.000	1	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]O[6])(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]O[6])(CH3){1|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,1|O<2>,4|C<3>}	117.3870	0.000	1	117.3870	0.000	1	118.2800	1.595	2	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]S[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]S[6]H)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	119.1730	0.000	1	119.1730	0.000	1	118.2800	1.595	2	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,4|C<4>}	117.7720	0.000	1	117.7720	0.000	1	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a])(CH3){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,4|C<3>}	118.5350	0.000	1	118.5350	0.000	1	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]C){1|C<4>,4|C<3>}	117.4050	0.000	1	117.4050	0.000	1	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]N[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CH3){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]N[6a]H)(C[6]C[6]C){1|H<1>,4|C<3>}	119.4990	0.000	1	119.4990	0.000	1	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,3|H<1>}	118.3900	0.000	1	119.6198	0.567	5	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	119.8417	0.381	3	119.6198	0.567	5	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	120.1840	0.000	1	119.6198	0.567	5	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|B<4>,2|C<3>,2|H<1>}	120.7936	0.502	10	120.7936	0.252	10	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cu<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.1877	0.572	4	120.5408	1.041	105	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cd<8>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.3017	0.559	4	120.5408	1.041	105	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Co<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.6855	0.524	4	120.5408	1.041	105	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cr<10>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.0880	0.000	1	120.5408	1.041	105	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cr<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.4050	0.734	2	120.5408	1.041	105	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cu<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.0602	0.728	6	120.5408	1.041	105	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cu<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.0320	0.703	2	120.5408	1.041	105	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Fe<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	119.9186	1.186	8	120.5408	1.041	105	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Mn<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.8801	0.807	12	120.5408	1.041	105	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ni<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.5789	1.160	54	120.5408	1.041	105	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Re<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.2035	0.347	6	120.5408	1.041	105	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Zn<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.6845	2.073	2	120.5408	1.041	105	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	115.8450	0.000	1	116.7055	1.481	2	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	117.5660	0.000	1	116.7055	1.481	2	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	121.5730	0.000	1	118.7328	3.139	6	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){3|C<3>,3|H<1>}	119.2070	0.000	1	118.7328	3.139	6	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,2|C<4>,2|H<1>}	117.0450	0.051	2	118.7328	3.139	6	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){3|C<3>,3|H<1>}	119.6860	0.000	1	118.7328	3.139	6	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	117.8410	0.000	1	118.7328	3.139	6	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	119.1120	0.000	1	119.1120	0.000	1	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	121.4690	0.184	2	121.3735	0.411	20	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	121.1890	0.000	1	121.3735	0.411	20	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cd<6>,1|N<3>,2|C<3>,2|H<1>}	121.3470	0.519	2	121.3735	0.411	20	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Co<6>,1|N<3>,2|C<3>,2|H<1>}	120.6225	0.411	2	121.3735	0.411	20	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cr<6>,1|N<3>,2|C<3>,2|H<1>}	121.0505	0.243	2	121.3735	0.411	20	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	121.2285	0.919	2	121.3735	0.411	20	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	120.8470	0.242	2	121.3735	0.411	20	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	121.7245	0.071	2	121.3735	0.411	20	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	122.0900	0.960	3	121.3735	0.411	20	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Zn<6>,1|N<3>,2|C<3>,2|H<1>}	121.7165	0.728	2	121.3735	0.411	20	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,2|C<4>,2|H<1>}	119.5680	0.143	2	119.5680	0.020	2	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	119.4290	0.000	1	119.4290	0.000	1	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	123.0250	0.000	1	123.0250	0.000	1	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]C){1|C<3>,3|C<4>,3|H<1>}	122.6330	0.000	1	122.6330	0.000	1	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|F<1>,1|O<2>,3|H<1>}	118.9790	0.000	1	118.6793	0.074	3	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	118.5295	0.114	2	118.6793	0.074	3	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,4|H<1>}	120.9959	0.489	7	120.9555	0.774	25	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	119.1840	0.000	1	120.9555	0.774	25	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,4|H<1>}	118.9370	0.000	1	120.9555	0.774	25	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.8880	0.000	1	120.9555	0.774	25	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ir<6>,2|C<3>,3|H<1>}	121.2590	0.554	8	120.9555	0.774	25	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Pt<4>,2|C<3>,3|H<1>}	121.7800	1.045	2	120.9555	0.774	25	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	121.4590	0.000	1	120.9555	0.774	25	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Os<5>,1|C<4>,2|C<3>,2|H<1>}	121.3160	0.000	1	120.9555	0.774	25	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,4|H<1>}	122.1730	0.000	1	120.9555	0.774	25	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	119.7640	0.000	1	120.9555	0.774	25	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|Ni<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Ni<6>,1|C<3>,1|C<4>,3|H<1>}	120.5640	0.000	1	120.9555	0.774	25	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,1|S<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	119.9030	0.000	1	121.2672	0.882	5	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Br<1>,2|C<3>,2|H<1>}	120.7550	0.000	1	121.2672	0.882	5	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	121.8927	0.341	3	121.2672	0.882	5	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Rh<6>,2|C<3>,2|H<1>}	121.0210	0.000	1	120.7847	0.108	3	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	120.6665	0.363	2	120.7847	0.108	3	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(CH3){2|H<1>,2|O<2>,4|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	119.7030	0.000	1	119.7030	0.000	1	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3){1|H<1>,1|O<1>,5|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.8690	0.000	1	119.7810	0.015	2	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3){1|H<1>,1|O<1>,5|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|N<3>,2|C<3>,3|H<1>}	119.6930	0.000	1	119.7810	0.015	2	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3){1|F<1>,1|O<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]C[6]C){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.6850	0.049	2	121.6850	0.002	2	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3){1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.7590	0.000	1	120.1795	0.354	2	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(CH3){1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	120.6000	0.000	1	120.1795	0.354	2	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	118.3070	0.000	1	117.9815	0.212	2	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|S<4>,2|C<3>,3|H<1>}	117.6560	0.000	1	117.9815	0.212	2	120.4937	1.494	203	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]C){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	125.9730	0.837	3	125.1390	3.249	4	125.1390	3.249	4	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(C[6]C[6]C){1|Ru<6>,1|H<2>,1|N<2>,1|N<3>,3|C<3>}	122.6370	0.000	1	125.1390	3.249	4	125.1390	3.249	4	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6,6a]-3:C[6]-3:	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]H)(CH3)	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]C)	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]H)(CH3){1|B<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(H)3	C[6,6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6,6a]B[6a]C[6])(C[6]C[6]C){2|C<4>,2|H<1>,5|C<3>}	124.0940	0.000	1	124.0940	0.000	1	124.0940	0.000	1	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(CH3)	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]C)(CH3){1|H<1>,2|O<2>,3|C<3>}	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	119.1987	0.175	4	119.1987	0.031	4	121.4326	7.389	22	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CH3)	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,2|H<1>,3|C<3>}	119.0960	0.000	1	119.0960	0.000	1	121.4326	7.389	22	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Cu)(CH3)	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Cu)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C){1|Cu<4>,2|H<1>,3|C<3>}	119.8925	0.087	4	119.8925	0.008	4	121.4326	7.389	22	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3)	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(CH3){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,2|C<4>,3|H<1>}	120.2470	0.000	1	120.2470	0.000	1	121.4326	7.389	22	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3){1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	119.3230	0.000	1	119.3230	0.000	1	121.4326	7.389	22	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,1|F<1>,1|H<1>,1|O<1>,2|C<3>}	125.3575	0.227	2	125.3325	0.033	6	121.4326	7.389	22	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	125.3260	0.260	2	125.3325	0.033	6	121.4326	7.389	22	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	125.3140	0.204	2	125.3325	0.033	6	121.4326	7.389	22	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	122.5310	0.000	1	122.6995	0.057	2	121.4326	7.389	22	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3)	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.8680	0.000	1	122.6995	0.057	2	121.4326	7.389	22	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CH3)	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CH3){2|H<1>,5|C<3>}	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|C<4>,2|H<1>,3|C<3>}	122.2150	0.000	1	122.2150	0.000	1	121.4326	7.389	22	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[6,6]C)(CH3)	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[6,6]C)(CH3){1|H<1>,1|N<3>,3|C<3>,3|O<2>}	C(C[6]C[6,6a]N[6])(H)3	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Si<6>,1|C<3>,1|C<4>,2|H<1>}	118.4385	1.034	2	118.4385	1.070	2	121.4326	7.389	22	120.6439	2.553	239	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:2:2:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:O-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHOO)	C(C[6]C[6,6a]C[6])(OC)(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHOO){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(OC)(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	121.2920	0.000	1	121.2920	0.000	1	121.2920	0.000	1	121.2920	0.000	1	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH){1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.6340	0.485	2	120.6340	0.235	2	120.6340	0.235	2	121.5032	1.578	20	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CCHH)	C(C[6]C[6,6a]C[6])(CCO)(H)2	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6])(CCO)(H)2	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|B<4>,2|C<3>,2|H<1>}	120.9965	0.529	4	120.9965	0.280	4	120.9502	1.604	8	121.5032	1.578	20	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CCHH)	C(C[6]C[6,6a]C[6])(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CCHH){1|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6])(CCH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	118.9420	0.000	1	118.9420	0.000	1	120.9502	1.604	8	121.5032	1.578	20	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCHH)	C(C[6]C[6,6a]C[6])(COO)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCHH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6]C[6,6a]C[6])(COO)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,2|O<1>,3|H<1>}	120.6645	0.667	2	120.6645	0.445	2	120.9502	1.604	8	121.5032	1.578	20	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(CCHH)	C(C[6]C[6,6a]C[6])(CCC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(CCC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	123.3450	0.000	1	123.3450	0.000	1	120.9502	1.604	8	121.5032	1.578	20	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[6]HH)	C(C[6]C[6,6a]C[6])(N[6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6])(N[6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Pd<4>,2|C<3>,3|H<1>}	121.5540	0.224	3	121.6993	0.118	4	121.6993	0.118	4	121.5032	1.578	20	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[6]HH)	C(C[6]C[6,6a]C[6])(N[6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[6]HH){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(N[6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Pd<4>,2|C<3>,3|H<1>}	122.1350	0.000	1	121.6993	0.118	4	121.6993	0.118	4	121.5032	1.578	20	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(CC[6]HH)	C(C[6]C[6,6a]N[6])(C[6]C[6]N[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(CC[6]HH){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6])(C[6]C[6]N[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Pd<4>,1|O<2>,2|C<3>,2|H<1>}	121.7820	0.000	1	121.7820	0.000	1	121.7820	0.000	1	121.5032	1.578	20	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(CC[6a]HH)	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pd)(CC[6a]HH){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Pd<4>,1|O<2>,2|C<3>,2|H<1>}	123.1153	0.767	4	123.1153	0.588	4	122.5230	2.195	5	121.5032	1.578	20	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(CC[6a]HH)	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(CC[6a]HH){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Zn<5>,1|O<2>,2|C<3>,2|H<1>}	120.1540	0.000	1	120.1540	0.000	1	122.5230	2.195	5	121.5032	1.578	20	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:3:2:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CC[6a]CH)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])(CC[6a]CH){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|Cl<1>,1|O<2>,2|C<3>,3|H<1>}	120.2140	0.000	1	120.2140	0.000	1	120.2140	0.000	1	120.2140	0.000	1	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]H)(CCCH)	C(C[6]C[6,6a]C[6])(COO)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(COO)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|O<2>,5|H<1>}	123.1880	0.000	1	123.1880	0.000	1	123.1880	0.000	1	123.1880	0.000	1	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[5,6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CCHH)	C(C[6]C[6,6a]C[5,6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CCHH){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C(C[6]C[6,6a]C[5,6])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	121.3320	0.000	1	121.3320	0.000	1	121.3320	0.000	1	120.0822	1.988	60	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)	C(C[6]C[6,6a]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH){1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2)(CH3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	120.6795	0.063	2	120.6795	0.004	2	120.6795	0.004	2	120.0822	1.988	60	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5a,6]C)(CCHH)	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6,6a]N[5a,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[5a,6]C)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6,6a]N[5a,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	118.3370	0.000	1	118.3370	0.000	1	118.3370	0.000	1	120.0822	1.988	60	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CCHH)	C(C[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a])(CCHH){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]N[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|H<1>,4|C<3>}	118.9560	0.000	1	118.9560	0.000	1	119.3002	1.705	6	120.0822	1.988	60	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(C[6]C[6,6a]C[6])(CF3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(CF3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	120.7715	0.141	2	120.7715	0.020	2	119.3002	1.705	6	120.0822	1.988	60	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)	C(C[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH){1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,3|H<1>}	118.3510	0.000	1	118.3510	0.000	1	119.3002	1.705	6	120.0822	1.988	60	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(CCHH)	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	119.4230	0.000	1	119.4230	0.000	1	119.3002	1.705	6	120.0822	1.988	60	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CCHH)	C(C[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	117.5280	0.000	1	117.5280	0.000	1	119.3002	1.705	6	120.0822	1.988	60	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHHN)	C(C[6]C[6,6a]C[6])(NH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHHN){1|C<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(NH3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,3|H<1>}	117.1800	0.000	1	117.1800	0.000	1	117.1800	0.000	1	120.0822	1.988	60	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Re)(CHHN)	C(C[6]C[6,6a]N[6])(NReCC)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]Re)(CHHN){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6])(NReCC)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]C){1|Re<6>,2|H<1>,3|C<3>}	119.0105	0.858	4	119.0105	0.736	4	120.3110	1.874	43	120.0822	1.988	60	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cd)(CHHN)	C(C[6]C[6,6a]N[6])(NC[6]CdC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cd)(CHHN){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6])(NC[6]CdC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Cd<7>,2|C<3>,3|H<1>}	119.0781	0.589	8	119.0781	0.347	8	120.3110	1.874	43	120.0822	1.988	60	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cd)(CHHN)	C(C[6]C[6,6a]N[6])(NCdCC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Cd)(CHHN){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6])(NCdCC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Cd<7>,2|C<3>,3|H<1>}	120.1511	0.971	7	120.1511	0.943	7	120.3110	1.874	43	120.0822	1.988	60	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(CHHN)	C(C[6]C[6,6a]N[6])(NCoCC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Co)(CHHN){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6])(NCoCC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Co<6>,2|C<3>,3|H<1>}	119.9250	0.000	1	119.9250	0.000	1	120.3110	1.874	43	120.0822	1.988	60	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mn)(CHHN)	C(C[6]C[6,6a]N[6])(NMnCC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mn)(CHHN){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6])(NMnCC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Mn<6>,2|C<3>,3|H<1>}	122.8375	0.781	4	121.8147	2.080	7	120.3110	1.874	43	120.0822	1.988	60	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mn)(CHHN)	C(C[6]C[6,6a]N[6])(NMnCC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mn)(CHHN){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6])(NMnCC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Mn<7>,2|C<3>,3|H<1>}	120.4510	0.666	3	121.8147	2.080	7	120.3110	1.874	43	120.0822	1.988	60	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(CHHN)	C(C[6]C[6,6a]N[6])(NZnCC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(CHHN){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6])(NZnCC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Zn<5>,2|C<3>,3|H<1>}	120.8996	1.016	14	120.6887	1.237	16	120.3110	1.874	43	120.0822	1.988	60	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:N-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(CHHN)	C(C[6]C[6,6a]N[6])(NZnCC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Zn)(CHHN){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6])(NZnCC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Zn<6>,2|C<3>,3|H<1>}	119.2130	0.409	2	120.6887	1.237	16	120.3110	1.874	43	120.0822	1.988	60	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Rh)(CHHP)	C(C[6]C[6,6a]N[6])(PC[6a]2Rh)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Rh)(CHHP){1|Rh<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6])(PC[6a]2Rh)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9540	0.000	1	120.2587	0.398	4	120.2587	0.398	4	120.0822	1.988	60	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Rh)(CHHP)	C(C[6]C[6,6a]N[6])(PC[6a]2Rh)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Rh)(CHHP){1|Rh<6>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6])(PC[6a]2Rh)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Rh<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.5150	0.000	1	120.2587	0.398	4	120.2587	0.398	4	120.0822	1.988	60	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-4:	C[6]-3:P-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Rh)(CHHP)	C(C[6]C[6,6a]N[6])(PC[6a]2Rh)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]Rh)(CHHP){1|Rh<6>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6])(PC[6a]2Rh)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]C){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.7830	0.438	2	120.2587	0.398	4	120.2587	0.398	4	120.0822	1.988	60	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6,6a]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6,6a]C[6,6a]C[6a])(CCHH)	C(C[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6,6a]C[6,6a]C[6a])(CCHH){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C(C[6]C[6,6a]C[6])(CH3)(H)2	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	117.1610	0.000	1	117.1610	0.000	1	118.2580	2.407	2	120.0822	1.988	60	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6,6a]-3:C-4:	C[6]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(CCHH)	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]H)(C[6,6a]C[6,6a]C[6a])(CCHH){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C(C[6]C[6,6a]C[6])(CCHH)(H)2	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	119.3550	0.000	1	119.3550	0.000	1	118.2580	2.407	2	120.0822	1.988	60	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:2:2:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:C-2:C-2:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC3)	C(C[6]C[6,6a]C[6])(CC[6a]HH)(CN)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6])(CC[6a]HH)(CN)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,5|H<1>}	119.1710	0.236	2	119.1710	0.056	2	119.1710	0.056	2	119.1710	0.056	2	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]O)(CCCH)	C(C[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]O)(CCCH){1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	120.5090	0.000	1	120.5090	0.000	1	120.5090	0.000	1	120.9740	1.103	7	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)	C(C[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.9160	0.000	1	118.9160	0.000	1	121.0515	1.274	6	120.9740	1.103	7	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCCH)	C(C[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCCH){1|H<1>,1|O<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|O<2>,3|C<3>}	121.4567	0.543	4	121.4567	0.295	4	121.0515	1.274	6	120.9740	1.103	7	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH)	C(C[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(CCCH){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6])(CH3)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.5660	0.000	1	121.5660	0.000	1	121.0515	1.274	6	120.9740	1.103	7	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(CC3)	C(C[6]C[6,6a]C[6])(CH3)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)(CC3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6])(CH3)3	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	122.9270	0.000	1	122.9270	0.000	1	122.9270	0.000	1	122.9270	0.000	1	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:4:3:	4:3:1:1:	3:3:3:	C[6,6a]-3:C-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>}	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<2>,1|C<3>,3|H<1>}	122.0820	0.000	1	122.0820	0.000	1	122.0820	0.000	1	122.0820	0.000	1	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6,6a]-3:C-4:C[6]-3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<2>,1|C<3>,4|H<1>}	121.6580	0.000	1	121.8320	0.393	14	121.7178	0.561	15	121.7178	0.561	15	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6,6a]-3:C-4:C[6]-3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.4930	0.000	1	121.8320	0.393	14	121.7178	0.561	15	121.7178	0.561	15	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6,6a]-3:C-4:C[6]-3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	122.1533	0.087	3	121.8320	0.393	14	121.7178	0.561	15	121.7178	0.561	15	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6,6a]-3:C-4:C[6]-3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<2>,2|C<3>,3|H<1>}	121.8433	0.567	6	121.8320	0.393	14	121.7178	0.561	15	121.7178	0.561	15	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6,6a]-3:C-4:C[6]-3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){2|C<3>,4|H<1>}	121.6590	1.214	3	121.8320	0.393	14	121.7178	0.561	15	121.7178	0.561	15	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	3:4:3:	4:3:2:1:	3:3:3:	C[6,6a]-3:C-4:C[6]-3:	C[6,6]-4:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OSi)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OSi)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]C){1|O<1>,2|C<3>,3|H<1>}	120.1190	0.000	1	120.1190	0.000	1	121.7178	0.561	15	121.7178	0.561	15	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	5:3:4:	3:1:1:1:	3:3:3:	C[3x3,4,3x5,15x6]-5:C[6,6a]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6,6a]-3:C[6a]-3:	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6,6a]C[6,6a]C[6a])(CH3)	C(C[6]C[3x3,4,3x5,15x6]C[6,6a])(H)3	C[6,6a](C[6]C[3x3,4,3x5,15x6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6,6a]C[6,6a]C[6a])(CH3){1|C<5>,3|C<3>,4|H<1>,5|B<6>}	C(C[6]C[3x3,4,3x5,15x6]C[6,6a])(H)3	C[6,6a](C[6]C[3x3,4,3x5,15x6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,4|B<6>}	122.1240	0.000	1	122.1240	0.000	1	122.1240	0.000	1	122.1240	0.000	1	120.6606	2.412	357	120.6606	2.412	357
762	490	643	0:SP2_SP2_SP3	C[6]	C	C[6,6a]	6:3:4:	3:1:1:1:	3:3:3:	B[4x3,4,5x5,22x6]-6:C[6,6a]-3:C-4:	C[6]-3:H-1:H-1:H-1:	C[6]-3:C[6,6a]-3:C[6a]-3:	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6,6a]C[6,6a]C[6a])(CH3)	C(C[6]B[4x3,4,5x5,22x6]C[6,6a])(H)3	C[6,6a](C[6]B[4x3,4,5x5,22x6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,3|C<3>,4|H<1>,5|B<6>}	C(C[6]B[4x3,4,5x5,22x6]C[6,6a])(H)3	C[6,6a](C[6]B[4x3,4,5x5,22x6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|C<5>,2|H<1>,3|B<6>}	122.0260	0.000	1	122.0260	0.000	1	122.0260	0.000	1	122.0260	0.000	1	120.6606	2.412	357	120.6606	2.412	357